WorldWideScience

Sample records for similarly combining experimental

  1. Prioritization of candidate disease genes by combining topological similarity and semantic similarity.

    Science.gov (United States)

    Liu, Bin; Jin, Min; Zeng, Pan

    2015-10-01

    The identification of gene-phenotype relationships is very important for the treatment of human diseases. Studies have shown that genes causing the same or similar phenotypes tend to interact with each other in a protein-protein interaction (PPI) network. Thus, many identification methods based on the PPI network model have achieved good results. However, in the PPI network, some interactions between the proteins encoded by candidate gene and the proteins encoded by known disease genes are very weak. Therefore, some studies have combined the PPI network with other genomic information and reported good predictive performances. However, we believe that the results could be further improved. In this paper, we propose a new method that uses the semantic similarity between the candidate gene and known disease genes to set the initial probability vector of a random walk with a restart algorithm in a human PPI network. The effectiveness of our method was demonstrated by leave-one-out cross-validation, and the experimental results indicated that our method outperformed other methods. Additionally, our method can predict new causative genes of multifactor diseases, including Parkinson's disease, breast cancer and obesity. The top predictions were good and consistent with the findings in the literature, which further illustrates the effectiveness of our method. Copyright © 2015 Elsevier Inc. All rights reserved.

  2. A similarity measure method combining location feature for mammogram retrieval.

    Science.gov (United States)

    Wang, Zhiqiong; Xin, Junchang; Huang, Yukun; Li, Chen; Xu, Ling; Li, Yang; Zhang, Hao; Gu, Huizi; Qian, Wei

    2018-05-28

    Breast cancer, the most common malignancy among women, has a high mortality rate in clinical practice. Early detection, diagnosis and treatment can reduce the mortalities of breast cancer greatly. The method of mammogram retrieval can help doctors to find the early breast lesions effectively and determine a reasonable feature set for image similarity measure. This will improve the accuracy effectively for mammogram retrieval. This paper proposes a similarity measure method combining location feature for mammogram retrieval. Firstly, the images are pre-processed, the regions of interest are detected and the lesions are segmented in order to get the center point and radius of the lesions. Then, the method, namely Coherent Point Drift, is used for image registration with the pre-defined standard image. The center point and radius of the lesions after registration are obtained and the standard location feature of the image is constructed. This standard location feature can help figure out the location similarity between the image pair from the query image to each dataset image in the database. Next, the content feature of the image is extracted, including the Histogram of Oriented Gradients, the Edge Direction Histogram, the Local Binary Pattern and the Gray Level Histogram, and the image pair content similarity can be calculated using the Earth Mover's Distance. Finally, the location similarity and content similarity are fused to form the image fusion similarity, and the specified number of the most similar images can be returned according to it. In the experiment, 440 mammograms, which are from Chinese women in Northeast China, are used as the database. When fusing 40% lesion location feature similarity and 60% content feature similarity, the results have obvious advantages. At this time, precision is 0.83, recall is 0.76, comprehensive indicator is 0.79, satisfaction is 96.0%, mean is 4.2 and variance is 17.7. The results show that the precision and recall of this

  3. Hierarchical Fuzzy Feature Similarity Combination for Presentation Slide Retrieval

    Directory of Open Access Journals (Sweden)

    A. Kushki

    2009-02-01

    Full Text Available This paper proposes a novel XML-based system for retrieval of presentation slides to address the growing data mining needs in presentation archives for educational and scholarly settings. In particular, contextual information, such as structural and formatting features, is extracted from the open format XML representation of presentation slides. In response to a textual user query, each extracted feature is used to compute a fuzzy relevance score for each slide in the database. The fuzzy scores from the various features are then combined through a hierarchical scheme to generate a single relevance score per slide. Various fusion operators and their properties are examined with respect to their effect on retrieval performance. Experimental results indicate a significant increase in retrieval performance measured in terms of precision-recall. The improvements are attributed to both the incorporation of the contextual features and the hierarchical feature combination scheme.

  4. Combined semantic and similarity search in medical image databases

    Science.gov (United States)

    Seifert, Sascha; Thoma, Marisa; Stegmaier, Florian; Hammon, Matthias; Kramer, Martin; Huber, Martin; Kriegel, Hans-Peter; Cavallaro, Alexander; Comaniciu, Dorin

    2011-03-01

    The current diagnostic process at hospitals is mainly based on reviewing and comparing images coming from multiple time points and modalities in order to monitor disease progression over a period of time. However, for ambiguous cases the radiologist deeply relies on reference literature or second opinion. Although there is a vast amount of acquired images stored in PACS systems which could be reused for decision support, these data sets suffer from weak search capabilities. Thus, we present a search methodology which enables the physician to fulfill intelligent search scenarios on medical image databases combining ontology-based semantic and appearance-based similarity search. It enabled the elimination of 12% of the top ten hits which would arise without taking the semantic context into account.

  5. [Combination chemotherapy of experimental leukemia].

    Science.gov (United States)

    Emanuel', N M; Konovalova, N P; D'iachkovskaia, R F

    1977-01-01

    In the present work an attempt was made to gain greater therapeutic effect of diazane coupled with adriamycin and sarcolysin. Leucemias L-1210 and La served as a model. In leucosis La diazane was injected once in 5 days. Either an additional injection of adriamycin two days prior to diazane injection or sarcolysin injected simultaneously with diazane enabled the authors to obtain a distinct synergestic effect. In leucemia L-1210 a simultaneous administration of diazane and sarcolysin also contributes to considerably longer survival of leucemic animals. Such combinations are likely to be promising in their clinical use.

  6. A combined experimental and theoretical study

    Indian Academy of Sciences (India)

    A combined theoretical and experimental study was also performed, which demonstrated that the clus- ters 1–3 with ... silica gel TLC plates (MERCK TLC Plates). The NMR .... tronic μ3-Se and maintains the same number of clus- ter valance ...

  7. Combined Teaching Method: An Experimental Study

    Science.gov (United States)

    Kolesnikova, Iryna V.

    2016-01-01

    The search for the best approach to business education has led educators and researchers to seek many different teaching strategies, ranging from the traditional teaching methods to various experimental approaches such as active learning techniques. The aim of this experimental study was to compare the effects of the traditional and combined…

  8. An Experimental Comparison of Similarity Assessment Measures for 3D Models on Constrained Surface Deformation

    Science.gov (United States)

    Quan, Lulin; Yang, Zhixin

    2010-05-01

    To address the issues in the area of design customization, this paper expressed the specification and application of the constrained surface deformation, and reported the experimental performance comparison of three prevail effective similarity assessment algorithms on constrained surface deformation domain. Constrained surface deformation becomes a promising method that supports for various downstream applications of customized design. Similarity assessment is regarded as the key technology for inspecting the success of new design via measuring the difference level between the deformed new design and the initial sample model, and indicating whether the difference level is within the limitation. According to our theoretical analysis and pre-experiments, three similarity assessment algorithms are suitable for this domain, including shape histogram based method, skeleton based method, and U system moment based method. We analyze their basic functions and implementation methodologies in detail, and do a series of experiments on various situations to test their accuracy and efficiency using precision-recall diagram. Shoe model is chosen as an industrial example for the experiments. It shows that shape histogram based method gained an optimal performance in comparison. Based on the result, we proposed a novel approach that integrating surface constrains and shape histogram description with adaptive weighting method, which emphasize the role of constrains during the assessment. The limited initial experimental result demonstrated that our algorithm outperforms other three algorithms. A clear direction for future development is also drawn at the end of the paper.

  9. Combined short-term immunotherapy for experimental autoimmune myasthenia gravis

    International Nuclear Information System (INIS)

    Pestronk, A.; Drachman, D.B.; Teoh, R.; Adams, R.N.

    1983-01-01

    A therapeutic strategy was designed to eliminate the humoral immune response to acetylcholine receptor (AChR) in ongoing experimental autoimmune myasthenia gravis (EAMG). Rats with EAMG were treated with a protocol consisting of three components: (1) A single high dose of cyclophosphamide (200 mg/kg) was used to produce a rapid and sustained fall in the anti-AChR antibody levels by preferential destruction of antibody-producing B-lymphocytes. ''Memory'' lymphocytes were not eliminated by cyclophosphamide. (2) Irradiation (600 rads) was used to eliminate the ''memory'' cells. It eliminated the anamnestic response to a challenge with the antigen AChR. (3) Bone marrow transplantation was used to repopulate the hematopoietic system after the otherwise lethal dose of cyclophosphamide. We used bone marrow from syngeneic rats with active EAMG to simulate an autologous transplant. Rats with EAMG treated with this combined protocol showed a prompt and sustained fall in the anti-AChR antibody levels and had no anamnestic response to a challenge with AChR. Thus, an affected animal's own marrow could be stored and used later for repopulation after cyclophosphamide-irradiation treatment. This treatment eliminates the animal's ongoing immune responses and reconstitutes the immune system in its original state. The success of this approach suggests that, if their safety could be established, similar ''curative'' strategies might be developed for the treatment of patients with severe antibody-mediated autoimmune disorders, such as myasthenia gravis

  10. Compression-based classification of biological sequences and structures via the Universal Similarity Metric: experimental assessment

    Directory of Open Access Journals (Sweden)

    Manzini Giovanni

    2007-07-01

    Full Text Available Abstract Background Similarity of sequences is a key mathematical notion for Classification and Phylogenetic studies in Biology. It is currently primarily handled using alignments. However, the alignment methods seem inadequate for post-genomic studies since they do not scale well with data set size and they seem to be confined only to genomic and proteomic sequences. Therefore, alignment-free similarity measures are actively pursued. Among those, USM (Universal Similarity Metric has gained prominence. It is based on the deep theory of Kolmogorov Complexity and universality is its most novel striking feature. Since it can only be approximated via data compression, USM is a methodology rather than a formula quantifying the similarity of two strings. Three approximations of USM are available, namely UCD (Universal Compression Dissimilarity, NCD (Normalized Compression Dissimilarity and CD (Compression Dissimilarity. Their applicability and robustness is tested on various data sets yielding a first massive quantitative estimate that the USM methodology and its approximations are of value. Despite the rich theory developed around USM, its experimental assessment has limitations: only a few data compressors have been tested in conjunction with USM and mostly at a qualitative level, no comparison among UCD, NCD and CD is available and no comparison of USM with existing methods, both based on alignments and not, seems to be available. Results We experimentally test the USM methodology by using 25 compressors, all three of its known approximations and six data sets of relevance to Molecular Biology. This offers the first systematic and quantitative experimental assessment of this methodology, that naturally complements the many theoretical and the preliminary experimental results available. Moreover, we compare the USM methodology both with methods based on alignments and not. We may group our experiments into two sets. The first one, performed via ROC

  11. Compression-based classification of biological sequences and structures via the Universal Similarity Metric: experimental assessment.

    Science.gov (United States)

    Ferragina, Paolo; Giancarlo, Raffaele; Greco, Valentina; Manzini, Giovanni; Valiente, Gabriel

    2007-07-13

    Similarity of sequences is a key mathematical notion for Classification and Phylogenetic studies in Biology. It is currently primarily handled using alignments. However, the alignment methods seem inadequate for post-genomic studies since they do not scale well with data set size and they seem to be confined only to genomic and proteomic sequences. Therefore, alignment-free similarity measures are actively pursued. Among those, USM (Universal Similarity Metric) has gained prominence. It is based on the deep theory of Kolmogorov Complexity and universality is its most novel striking feature. Since it can only be approximated via data compression, USM is a methodology rather than a formula quantifying the similarity of two strings. Three approximations of USM are available, namely UCD (Universal Compression Dissimilarity), NCD (Normalized Compression Dissimilarity) and CD (Compression Dissimilarity). Their applicability and robustness is tested on various data sets yielding a first massive quantitative estimate that the USM methodology and its approximations are of value. Despite the rich theory developed around USM, its experimental assessment has limitations: only a few data compressors have been tested in conjunction with USM and mostly at a qualitative level, no comparison among UCD, NCD and CD is available and no comparison of USM with existing methods, both based on alignments and not, seems to be available. We experimentally test the USM methodology by using 25 compressors, all three of its known approximations and six data sets of relevance to Molecular Biology. This offers the first systematic and quantitative experimental assessment of this methodology, that naturally complements the many theoretical and the preliminary experimental results available. Moreover, we compare the USM methodology both with methods based on alignments and not. We may group our experiments into two sets. The first one, performed via ROC (Receiver Operating Curve) analysis, aims at

  12. Similar hypotensive effects of combined aerobic and resistance exercise with 1 set versus 3 sets in women with metabolic syndrome.

    Science.gov (United States)

    Tibana, Ramires A; Nascimento, Dahan da C; de Sousa, Nuno M F; de Almeida, Jeeser A; Moraes, Milton R; Durigan, João Luiz Quagliotti; Collier, Scott R; Prestes, Jonato

    2015-11-01

    The aim of the present study was to compare the response of systolic blood pressure (SBP), mean blood pressure (MBP) and diastolic blood pressure (DBP) following combined training with 1 set or with 3 sets of resistance exercise (RE). Sixteen women with metabolic syndrome (MetS) were randomly assigned to perform two combined exercise protocols and a control session (CON): 1-set, 30 min of aerobic exercise (AE) at 65-70% of reserve heart rate and 1 set of 8-12 repetitions at 80% of 10-RM in six resistance exercises; 3-sets, same protocol but with 3 sets; and CON, 30 min of seated rest. The SBP, MBP and DBP were measured before and every 15 min during 90 min following the experimental sessions. The SBP displayed a decrease (P ≤ 0.05) during the 90 min following the RE session with 1-set and 3-set, while MBP was decreased (P ≤ 0.05) up to 75 min after 1-set and up to 30 min after the 3-set exercise session compared with pre-intervention values. There was a decrease in DBP only for the greatest individual decrease following 1-set (-6.1 mmHg) and 3-set (-4.9 mmHg) combined exercise sessions, without differences between them. The rate-pressure product and heart rate remained significantly higher (P ≤ 0.05) 75 min and 90 min after the combined exercise session with 1- and 3-sets compared with the CON, respectively. In conclusion, a low-volume RE combined with AE resulted in similar decrease of SBP when compared with RE with 3-sets in women with MetS, which could be beneficial in situations of limited time. © 2014 Scandinavian Society of Clinical Physiology and Nuclear Medicine. Published by John Wiley & Sons Ltd.

  13. Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling.

    Science.gov (United States)

    van Westen, Gerard J P; Bender, Andreas; Overington, John P

    2014-10-01

    Resistance to pesticides is an increasing problem in agriculture. Despite practices such as phased use and cycling of 'orthogonally resistant' agents, resistance remains a major risk to national and global food security. To combat this problem, there is a need for both new approaches for pesticide design, as well as for novel chemical entities themselves. As summarized in this opinion article, a technique termed 'proteochemometric modelling' (PCM), from the field of chemoinformatics, could aid in the quantification and prediction of resistance that acts via point mutations in the target proteins of an agent. The technique combines information from both the chemical and biological domain to generate bioactivity models across large numbers of ligands as well as protein targets. PCM has previously been validated in prospective, experimental work in the medicinal chemistry area, and it draws on the growing amount of bioactivity information available in the public domain. Here, two potential applications of proteochemometric modelling to agrochemical data are described, based on previously published examples from the medicinal chemistry literature.

  14. Combined short-term immunotherapy for experimental autoimmune myasthenia gravis

    Energy Technology Data Exchange (ETDEWEB)

    Pestronk, A.; Drachman, D.B.; Teoh, R.; Adams, R.N.

    1983-08-01

    A therapeutic strategy was designed to eliminate the humoral immune response to acetylcholine receptor (AChR) in ongoing experimental autoimmune myasthenia gravis (EAMG). Rats with EAMG were treated with a protocol consisting of three components: (1) A single high dose of cyclophosphamide (200 mg/kg) was used to produce a rapid and sustained fall in the anti-AChR antibody levels by preferential destruction of antibody-producing B-lymphocytes. ''Memory'' lymphocytes were not eliminated by cyclophosphamide. (2) Irradiation (600 rads) was used to eliminate the ''memory'' cells. It eliminated the anamnestic response to a challenge with the antigen AChR. (3) Bone marrow transplantation was used to repopulate the hematopoietic system after the otherwise lethal dose of cyclophosphamide. We used bone marrow from syngeneic rats with active EAMG to simulate an autologous transplant. Rats with EAMG treated with this combined protocol showed a prompt and sustained fall in the anti-AChR antibody levels and had no anamnestic response to a challenge with AChR. Thus, an affected animal's own marrow could be stored and used later for repopulation after cyclophosphamide-irradiation treatment. This treatment eliminates the animal's ongoing immune responses and reconstitutes the immune system in its original state. The success of this approach suggests that, if their safety could be established, similar ''curative'' strategies might be developed for the treatment of patients with severe antibody-mediated autoimmune disorders, such as myasthenia gravis.

  15. Sample similarity analysis of angles of repose based on experimental results for DEM calibration

    Science.gov (United States)

    Tan, Yuan; Günthner, Willibald A.; Kessler, Stephan; Zhang, Lu

    2017-06-01

    As a fundamental material property, particle-particle friction coefficient is usually calculated based on angle of repose which can be obtained experimentally. In the present study, the bottomless cylinder test was carried out to investigate this friction coefficient of a kind of biomass material, i.e. willow chips. Because of its irregular shape and varying particle size distribution, calculation of the angle becomes less applicable and decisive. In the previous studies only one section of those uneven slopes is chosen in most cases, although standard methods in definition of a representable section are barely found. Hence, we presented an efficient and reliable method from the new technology, 3D scan, which was used to digitize the surface of heaps and generate its point cloud. Then, two tangential lines of any selected section were calculated through the linear least-squares regression (LLSR), such that the left and right angle of repose of a pile could be derived. As the next step, a certain sum of sections were stochastic selected, and calculations were repeated correspondingly in order to achieve sample of angles, which was plotted in Cartesian coordinates as spots diagram. Subsequently, different samples were acquired through various selections of sections. By applying similarities and difference analysis of these samples, the reliability of this proposed method was verified. Phased results provides a realistic criterion to reduce the deviation between experiment and simulation as a result of random selection of a single angle, which will be compared with the simulation results in the future.

  16. Sample similarity analysis of angles of repose based on experimental results for DEM calibration

    Directory of Open Access Journals (Sweden)

    Tan Yuan

    2017-01-01

    Full Text Available As a fundamental material property, particle-particle friction coefficient is usually calculated based on angle of repose which can be obtained experimentally. In the present study, the bottomless cylinder test was carried out to investigate this friction coefficient of a kind of biomass material, i.e. willow chips. Because of its irregular shape and varying particle size distribution, calculation of the angle becomes less applicable and decisive. In the previous studies only one section of those uneven slopes is chosen in most cases, although standard methods in definition of a representable section are barely found. Hence, we presented an efficient and reliable method from the new technology, 3D scan, which was used to digitize the surface of heaps and generate its point cloud. Then, two tangential lines of any selected section were calculated through the linear least-squares regression (LLSR, such that the left and right angle of repose of a pile could be derived. As the next step, a certain sum of sections were stochastic selected, and calculations were repeated correspondingly in order to achieve sample of angles, which was plotted in Cartesian coordinates as spots diagram. Subsequently, different samples were acquired through various selections of sections. By applying similarities and difference analysis of these samples, the reliability of this proposed method was verified. Phased results provides a realistic criterion to reduce the deviation between experiment and simulation as a result of random selection of a single angle, which will be compared with the simulation results in the future.

  17. An experimental test of the persuasive effect of source similarity in narrative and nonnarrative health blogs.

    Science.gov (United States)

    Lu, Amy Shirong

    2013-07-25

    Blogs, or websites containing online personal journals, are a form of popular personal communication with immense potential for health promotion. Narratives are stories with a beginning, middle, and end that provide information about the characters and plot. Source similarity refers to the degree to which the message source and each recipient are alike with respect to certain attributes. Narratives and source similarity have seldom been examined in tandem as strategies for health persuasion. Personal health blogs provide a suitable platform for such an investigation. This study examined the persuasive effects of message type and source similarity on participants' intentions to adopt a specific health behavior (running for exercise). A total of 150 participants were randomly assigned to conditions (n=25 per condition) in a completely crossed, 2 (message type: narrative and nonnarrative) × 3 (source similarity: no similarity, non-health-related similarity, and health-related similarity) between-subjects experiment. First, in an online questionnaire, participants provided personal information in 42 categories and rated the relatedness of each category to running and then completed pretest measures of the dependent variables. Based on their responses, 150 personal health blogs were created. Two weeks later, the initial participants read the blog created with their personal characteristics and completed a questionnaire online. The source similarity effect was stronger in nonnarrative than narrative blogs. When the blogs were nonnarrative, those with health-related similarities were more persuasive than those with non-health-related similarities. Narrative blogs generated more positive thoughts and stronger blogger identification than nonnarrative blogs. Health-related source similarity is key for persuasive health communication, especially when the messages are nonnarrative.

  18. Evaluating Combinations of Ranked Lists and Visualizations of Inter-Document Similarity.

    Science.gov (United States)

    Allan, James; Leuski, Anton; Swan, Russell; Byrd, Donald

    2001-01-01

    Considers how ideas from document clustering can be used to improve retrieval accuracy of ranked lists in interactive systems and how to evaluate system effectiveness. Describes a TREC (Text Retrieval Conference) study that constructed and evaluated systems that present the user with ranked lists and a visualization of inter-document similarities.…

  19. A Combined Theoretical and Experimental Study for Silver Electroplating

    Science.gov (United States)

    Liu, Anmin; Ren, Xuefeng; An, Maozhong; Zhang, Jinqiu; Yang, Peixia; Wang, Bo; Zhu, Yongming; Wang, Chong

    2014-01-01

    A novel method combined theoretical and experimental study for environmental friendly silver electroplating was introduced. Quantum chemical calculations and molecular dynamic (MD) simulations were employed for predicting the behaviour and function of the complexing agents. Electronic properties, orbital information, and single point energies of the 5,5-dimethylhydantoin (DMH), nicotinic acid (NA), as well as their silver(I)-complexes were provided by quantum chemical calculations based on density functional theory (DFT). Adsorption behaviors of the agents on copper and silver surfaces were investigated using MD simulations. Basing on the data of quantum chemical calculations and MD simulations, we believed that DMH and NA could be the promising complexing agents for silver electroplating. The experimental results, including of electrochemical measurement and silver electroplating, further confirmed the above prediction. This efficient and versatile method thus opens a new window to study or design complexing agents for generalized metal electroplating and will vigorously promote the level of this research region.

  20. Combining experimental and cosmological constraints on heavy neutrinos

    Directory of Open Access Journals (Sweden)

    Marco Drewes

    2017-08-01

    Full Text Available We study experimental and cosmological constraints on the extension of the Standard Model by three right handed neutrinos with masses between those of the pion and W boson. We combine for the first time direct, indirect and cosmological constraints in this mass range. This includes experimental constraints from neutrino oscillation data, neutrinoless double β decay, electroweak precision data, lepton universality, searches for rare lepton decays, tests of CKM unitarity and past direct searches at colliders or fixed target experiments. On the cosmological side, big bang nucleosynthesis has the most pronounced impact. Our results can be used to evaluate the discovery potential of searches for heavy neutrinos at LHCb, BELLE II, SHiP, ATLAS, CMS or a future lepton collider.

  1. A Combined Theoretical and Experimental Study for Silver Electroplating

    Science.gov (United States)

    Liu, Anmin; Ren, Xuefeng; An, Maozhong; Zhang, Jinqiu; Yang, Peixia; Wang, Bo; Zhu, Yongming; Wang, Chong

    2014-01-01

    A novel method combined theoretical and experimental study for environmental friendly silver electroplating was introduced. Quantum chemical calculations and molecular dynamic (MD) simulations were employed for predicting the behaviour and function of the complexing agents. Electronic properties, orbital information, and single point energies of the 5,5-dimethylhydantoin (DMH), nicotinic acid (NA), as well as their silver(I)-complexes were provided by quantum chemical calculations based on density functional theory (DFT). Adsorption behaviors of the agents on copper and silver surfaces were investigated using MD simulations. Basing on the data of quantum chemical calculations and MD simulations, we believed that DMH and NA could be the promising complexing agents for silver electroplating. The experimental results, including of electrochemical measurement and silver electroplating, further confirmed the above prediction. This efficient and versatile method thus opens a new window to study or design complexing agents for generalized metal electroplating and will vigorously promote the level of this research region. PMID:24452389

  2. Experimental study on combination of chemotherapy and radiotherapy

    International Nuclear Information System (INIS)

    Tanaka, Juichi

    1986-01-01

    Recently, by applying multidrug therapy using cisplatin and bleomycin to the treatment of head and neck cancer, the response rate of chemotherapy has been markedly increased and thus, chemotherapy has taken an important part in the treatment of head and neck cancer. In this paper a clinical application of chemotherapy in combination with radiotherapy was evaluated from the point of the cure rate and also preservation of the structures and the functions of the head and neck region. In order to test the advantage or usefulness of initial chemotherapy followed by radiotherapy (= pre-radiation chemotherapy), the experimental study on combination of chemotherapy and radiotherapy was designed by using ICR mice and Ehrlich solid carcinoma. Cisplatin and peplomycin, a newly developed derivative of bleomycin, were used as chemotherapeutic agents. Tumor growth delay rate was chosen as a parameter to indicate the effectiveness. Results obtained are as follows. 1. Combination chemotherapy of cisplatin and peplomycin was more effective than each single agent on Ehrlich solid carcinoma. Synergistic effect was obtained by higher dose. So, the combination of cisplatin and peplomycin was proved to be eligible for pre-radiation chemotherapy. 2. Synergistic effect of chemotherapy and radiotherapy was observed when chemotherapy was used prior to radiotherapy on Ehrlich solid carcinoma. 3. Even their additional effect was not recognized when radiotherapy preceded to chemotherapy on Ehrlich solid carcinoma. 4. No severe toxic effect was seen in the mice. The experimental results made it clear that pre-radiation chemotherapy is beneficial to the treatment of head and neck cancer. (author)

  3. Experimental Study of Dowel Bar Alternatives Based on Similarity Model Test

    Directory of Open Access Journals (Sweden)

    Chichun Hu

    2017-01-01

    Full Text Available In this study, a small-scaled accelerated loading test based on similarity theory and Accelerated Pavement Analyzer was developed to evaluate dowel bars with different materials and cross-sections. Jointed concrete specimen consisting of one dowel was designed as scaled model for the test, and each specimen was subjected to 864 thousand loading cycles. Deflections between jointed slabs were measured with dial indicators, and strains of the dowel bars were monitored with strain gauges. The load transfer efficiency, differential deflection, and dowel-concrete bearing stress for each case were calculated from these measurements. The test results indicated that the effect of the dowel modulus on load transfer efficiency can be characterized based on the similarity model test developed in the study. Moreover, round steel dowel was found to have similar performance to larger FRP dowel, and elliptical dowel can be preferentially considered in practice.

  4. Modeling the angular motion dynamics of spacecraft with a magnetic attitude control system based on experimental studies and dynamic similarity

    Science.gov (United States)

    Kulkov, V. M.; Medvedskii, A. L.; Terentyev, V. V.; Firsyuk, S. O.; Shemyakov, A. O.

    2017-12-01

    The problem of spacecraft attitude control using electromagnetic systems interacting with the Earth's magnetic field is considered. A set of dimensionless parameters has been formed to investigate the spacecraft orientation regimes based on dynamically similar models. The results of experimental studies of small spacecraft with a magnetic attitude control system can be extrapolated to the in-orbit spacecraft motion control regimes by using the methods of the dimensional and similarity theory.

  5. Helicopter fuselage drag - combined computational fluid dynamics and experimental studies

    Science.gov (United States)

    Batrakov, A.; Kusyumov, A.; Mikhailov, S.; Pakhov, V.; Sungatullin, A.; Valeev, M.; Zherekhov, V.; Barakos, G.

    2015-06-01

    In this paper, wind tunnel experiments are combined with Computational Fluid Dynamics (CFD) aiming to analyze the aerodynamics of realistic fuselage configurations. A development model of the ANSAT aircraft and an early model of the AKTAI light helicopter were employed. Both models were tested at the subsonic wind tunnel of KNRTU-KAI for a range of Reynolds numbers and pitch and yaw angles. The force balance measurements were complemented by particle image velocimetry (PIV) investigations for the cases where the experimental force measurements showed substantial unsteadiness. The CFD results were found to be in fair agreement with the test data and revealed some flow separation at the rear of the fuselages. Once confidence on the CFD method was established, further modifications were introduced to the ANSAT-like fuselage model to demonstrate drag reduction via small shape changes.

  6. Experimental inoculation of calves with atypical Hobi-like pestivirus shows pattern similar to BVDV-1

    DEFF Research Database (Denmark)

    Larska, Magdalena; Polak, Mirosław P.; Uttenthal, Åse

    of experimental inoculation of European cattle with atypical pestivirus. The experiment included 4 groups of 5 calves each inoculated with: BVDV-1 (Ho916), Hobi-like pestivirus (Th/04_KhonKaen), a mixture of both viruses or EaglesMEM (control animals). Th/04_KhonKaen induced milder clinical signs than observed......, lymphocytes and granulocytes in blood on PID 2 correlated to the onset of viraemia. Animals started to seroconvert on PID 14, however the level of anti- Th/04_KhonKaen antibodies was significantly lower that the level of anti-BVDV-1 antibodies, probably due to the specificity of the test used. The experiment...... studies show that the viruses which were thought to be restricted to South America and Southeast Asia, may have reached other continents, including Europe. The pathogenesis of the infection with Hobi-like viruses has not yet been fully elucidated. The purpose of our study was to investigate the course...

  7. Guar gum and scleroglucan interactions with borax: experimental and theoretical studies of an unexpected similarity.

    Science.gov (United States)

    Bocchinfuso, Gianfranco; Mazzuca, Claudia; Sandolo, Chiara; Margheritelli, Silvia; Alhaique, Franco; Coviello, Tommasina; Palleschi, Antonio

    2010-10-21

    Guar gum is a galactomannan that assumes a very flexible conformation in solution, while Scleroglucan is a very rigid polysaccharide that dissolves in water as triple helices. Both polymers can form gels in the presence of borax. Despite their structural differences, the freeze-dried gel systems of both polymers, when compressed to form tablets, show a peculiar anisotropic swelling in water that reflects an amazing similarity in terms of their molecular properies. In this paper the behavior of the Guar/borax gel is compared with that of Scleroglucan/borax. The macroscopic properties of the two systems were characterized in terms of rheological measurements. Atomic force microscopy images and molecular dynamics simulation allowed to evaluate, at molecular level, the effect of borax addition to the Guar polymer. Both experiments show that an increasing of the polymer rigidity is produced by borax. The role played by galactose in the side chain was also discussed.

  8. Novel Agent Based-approach for Industrial Diagnosis: A Combined use Between Case-based Reasoning and Similarity Measure

    Directory of Open Access Journals (Sweden)

    Fatima Zohra Benkaddour

    2016-12-01

    Full Text Available In spunlace nonwovens industry, the maintenance task is very complex, it requires experts and operators collaboration. In this paper, we propose a new approach integrating an agent- based modelling with case-based reasoning that utilizes similarity measures and preferences module. The main purpose of our study is to compare and evaluate the most suitable similarity measure for our case. Furthermore, operators that are usually geographically dispersed, have to collaborate and negotiate to achieve mutual agreements, especially when their proposals (diagnosis lead to a conflicting situation. The experimentation shows that the suggested agent-based approach is very interesting and efficient for operators and experts who collaborate in INOTIS enterprise.

  9. Neutron-Gamma Pulse Shape Discrimination With Ne-213 Liquid Scintillator By Using Digital Signal Processing Combined With Similarity Method

    International Nuclear Information System (INIS)

    Mardiyanto

    2008-01-01

    Neutron-Gamma Pulse Shape Discrimination with a NE-213 Liquid Scintillator by Using Digital Signal Processing Combined with Similarity Method. Measurement of mixed neutron-gamma radiation is difficult because a nuclear detector is usually sensitive to both radiations. A new attempt of neutron-gamma pulse shape discrimination for a NE-213 liquid scintillator is presented by using digital signal processing combined with an off-line similarity method. The output pulse shapes are digitized with a high speed digital oscilloscope. The n-γ discrimination is done by calculating the index of each pulse shape, which is determined by the similarity method, and then fusing it with its corresponding pulse height. Preliminary results demonstrate good separation of neutron and gamma-ray signals from a NE-213 scintillator with a simple digital system. The results were better than those with a conventional rise time method. Figure of Merit is used to determine the quality of discrimination. The figure of merit of the discrimination using digital signal processing combined with off-line similarity method are 1.9; 1.7; 1.1; 1.1; and 0.8; on the other hand by using conventional method the rise time are 0.9; 0.9; 0.9; 0.7; and 0.4 for the equivalent electron energy of 800; 278; 139; 69; and 30 keV. (author)

  10. An adaptive image sparse reconstruction method combined with nonlocal similarity and cosparsity for mixed Gaussian-Poisson noise removal

    Science.gov (United States)

    Chen, Yong-fei; Gao, Hong-xia; Wu, Zi-ling; Kang, Hui

    2018-01-01

    Compressed sensing (CS) has achieved great success in single noise removal. However, it cannot restore the images contaminated with mixed noise efficiently. This paper introduces nonlocal similarity and cosparsity inspired by compressed sensing to overcome the difficulties in mixed noise removal, in which nonlocal similarity explores the signal sparsity from similar patches, and cosparsity assumes that the signal is sparse after a possibly redundant transform. Meanwhile, an adaptive scheme is designed to keep the balance between mixed noise removal and detail preservation based on local variance. Finally, IRLSM and RACoSaMP are adopted to solve the objective function. Experimental results demonstrate that the proposed method is superior to conventional CS methods, like K-SVD and state-of-art method nonlocally centralized sparse representation (NCSR), in terms of both visual results and quantitative measures.

  11. Combine experimental and theoretical investigation on an alkaloid-Dimethylisoborreverine

    Science.gov (United States)

    Singh, Swapnil; Singh, Harshita; Karthick, T.; Agarwal, Parag; Erande, Rohan D.; Dethe, Dattatraya H.; Tandon, Poonam

    2016-01-01

    A combined experimental (FT-IR, 1H and 13C NMR) and theoretical approach is used to study the structure and properties of antimalarial drug dimethylisoborreverine (DMIB). Conformational analysis, has been performed by plotting one dimensional potential energy curve that was computed using density functional theory (DFT) with B3LYP/6-31G method and predicted conformer A1 as the most stable conformer. After full geometry optimization, harmonic wavenumbers were computed for conformer A1 at the DFT/B3LYP/6-311++G(d,P) level. A complete vibrational assignment of all the vibrational modes have been performed on the bases of the potential energy distribution (PED) and theoretical results were found to be in good agreement with the observed data. To predict the solvent effect, the UV-Vis spectra were calculated in different solvents by polarizable continuum model using TD-DFT method. Molecular docking studies were performed to test the biological activity of the sample using SWISSDOCK web server and Hex 8.0.0 software. The molecular electrostatic potential (MESP) was plotted to identify the reactive sites of the molecule. Natural bond orbital (NBO) analysis was performed to get a deep insight of intramolecular charge transfer. Thermodynamical parameters were calculated to predict the direction of chemical reaction.

  12. EXPERIMENTAL APPROVAL OF COMBINED FIXATION FOR FEMUR LENGTHENING

    Directory of Open Access Journals (Sweden)

    M. A. Stepanov

    2017-01-01

    Full Text Available Elimination of congenital shortening of lower limb still remains a complex and unsolved orthopaedic task which requires an improved fixation technique as well as adjusted tactics of treatment and rehabilitation procedures.Purpose of the study — experimental approval of femur lengthening technique by external fixation with Ilizarov apparatus and internal fixation by plate.Materials and methods. Femur lengthening was performed in 6 mongrel dogs. Average animal age was 1,5±0,3 years, average weight — 20±5 kg, femur length — 22±2 sm. External apparatus with two supports and a titanium plate of an original design were applied under general anesthesia on the right femur of animals. Lengthening was performed manually at a rate of1 mm per day in 4 stages at a distance of 10% from initial segment length. External apparatus was removed on the last day of distraction after locking the plate. X-ray examination was done on the day of surgery, in 7, 14 and 25 days from the onset of distraction as well as in 14, 30, 60 and 90 days after completion of distraction and removal of external apparatus. Three animals were taken out of experiment in 30 days of fixation, remaining three animals — in 90 days. After euthanasia the authors performed autopsy of the organic femur complex and tissues contacting the plate.Results. The use of operated limb was not restricted during the whole distraction period. The authors observed first roentgenological signs of distraction osteogenesis on 7th day of lengthening. By the end of distraction period, at 25th day, shadows of regenerates demonstrated longitudinal striated structures in all cases. Median lucency area of 1–5 mm was located diagonally and across the regenerate or was intermittent. In 60 days of fixation X-rays demonstrated homogeneous regenerate. External fixation index was 13,9±1,5 days/sm (p≤0,05. The authors observed no cases of implants fracture or deformity during the experiment

  13. Experimental designs and risk assessment in combination toxicology: Panel discussion

    NARCIS (Netherlands)

    Henschler, D.; Bolt, H.M.; Jonker, D.; Pieters, M.N.; Groten, J.P.

    1996-01-01

    Advancing our knowledge on the toxicology of combined exposures to chemicals and implementation of this knowledge in guidelines for health risk assessment of such combined exposures are necessities dictated by the simple fact that humans are continuously exposed to a multitude of chemicals. A

  14. Analytical and Experimental Feasibility Study of Combined OTEC on NPPs

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Jeongtae; Oh, Kyemin; Heo, Gyunyoung [Kyung Hee Univ., Yongin (Korea, Republic of); Jung, Hoon [KEPCO Research Institute, Daejeon (Korea, Republic of)

    2013-05-15

    The concept of the Combined Ocean Thermal Energy Conversion (Combined OTEC) needs to study. Combined OTEC uses exhausted steam on Nuclear Power Plants (NPPs) as heat source instead surface water. Exhausted steam extracted from condenser evaporates working fluid of Combined OTEC at heat exchanger (Hx-W). Essential calculation for conceptual design of Combined OTEC was already performed and presented before. However, the technical issue whether sufficient extraction of exhausted steam from high degree of vacuum of condenser to Hx-W can be supplied or not was unclear, which is significant to continue a demonstration program. In this study, so, we calculated the rate of extracted steam to evaluate whether sufficient steam can be extracted using RELAP code. In aspect of implementation of Combined OTEC, confirmation of sufficient flow of exhausted steam into Hx-W is the starting point of research. As the result of RELAP calculation, we confirmed that exhausted steam would flow into Hx-W. Considering the amount of exhausted steam in NPPs which is 1000 MWe and has 36 % of efficiency, 9 % of flow rate to Hx-W is means that 160 MWt of heat can be available as heat source of Combined OTEC. Using this, it can be possible to improve efficiency of aged NPPs and can compensate power loss caused by increase of circulation water temperature particularly in summer season.

  15. [The efficacy of the combined use of 5-fluorouracil electrophoresis and magnetotherapy in experimental pancreatitis].

    Science.gov (United States)

    Kents, V V; Tsympilova, T A; Mavrodiĭ, V M; Godlevskiĭ, L S

    1994-01-01

    As shown on the experimental model of rat acute pancreatitis, an intensive 5-fluorouracil electrophoresis course in combination with magnetotherapy significantly reduces the activity of blood trypsin, amylase, lipase and corticosterone. The treatment is thought effective in experimental pancreatitis.

  16. Combined Quitline Counseling and Text Messaging for Smoking Cessation: A Quasi-Experimental Evaluation.

    Science.gov (United States)

    Boal, Ashley L; Abroms, Lorien C; Simmens, Samuel; Graham, Amanda L; Carpenter, Kelly M

    2016-05-01

    This study seeks to determine whether comprehensive quitline services combined with text messaging improve smoking cessation rates beyond those achieved by offering comprehensive quitline services alone. The study sample consisted of callers to the Alere Wellbeing, Inc, commercial quitline in 2012. A quasi-experimental design was implemented using propensity score matching to create the intervention and control groups. The intervention group consisted of those who were offered and accepted a text message intervention in addition to usual quitline services, while the control group consisted of those who were not offered the text message intervention. Analyses utilized baseline data collected at intake, program use data (eg, call history and text message use), and reports of smoking behaviors and program satisfaction collected 6 months after intake. Similar rates of 7-day abstinence were reported regardless of whether participants received combined multi-call quitline services plus text messaging (25.3%) or multi-call quitline services in isolation (25.5%), though those who received combined services reported higher treatment satisfaction (P research should investigate whether text messaging programs improve quit rates when combined with less intensive services such as single-call phone counseling. While the impact of quitline and text messaging services for smoking cessation have been examined in isolation, no study has explored the impact of combined services on smoking outcomes. This study examines the role of text messaging in combination with comprehensive quitline services including multi-call phone counseling, access to an interactive website and nicotine replacement therapy. © The Author 2015. Published by Oxford University Press on behalf of the Society for Research on Nicotine and Tobacco. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  17. Combined experimental and computational study of the energetics of methylindoles

    International Nuclear Information System (INIS)

    Ribeiro da Silva, Manuel A.V.; Cabral, Joana I.T.A.; Gomes, Jose R.B.

    2009-01-01

    In order to understand the influence of the methyl group in the stability of the indole unit, the standard (p 0 =0.1MPa) molar enthalpies of formation of 1-, 2-, and 3-methylindoles, in the gaseous phase, were determined at T = 298.15 K. For that, combustion calorimetry was used to determine the massic energies of combustion and consequently the standard molar enthalpies of formation in the condensed phase, and Calvet microcalorimetry was employed to measure the standard molar enthalpy of phase transition (vaporization for the liquid 1-methylindole and sublimation for the other two solid compounds). The G3(MP2)//B3LYP composite approach was used to calculate the gas-phase enthalpies of formation, at T = 298.15 K, of all possible single methylated indoles using four different working reactions. The enthalpies calculated for the 1-, 2-, and 3-methylindoles are in excellent agreement with the values derived from the experimental work.

  18. Animal model of atherosclerosis using rabbit experimentally induced by combination of X-ray and hypercholesterolemia

    International Nuclear Information System (INIS)

    Ishiyama, Tomotoshi; Sawai, Takashi; Okuma, Tsuneo; Mori, Shozo

    1995-01-01

    An attempt was made to prepare an animal model of atherosclerosis similar to human lesions. The experimental animals were male Japanese white rabbits weighting about 2 kg. Hypercholesterolemia was experimentally induced by giving a 1% cholesterol diet. Four weeks later, a single dose of 45 Gy was delivered to the femur to produce vascular changes. Soon after irradiation, immunohistochemical examination revealed the adhesion and invasion of macrophages to endothelial cells, followed by accumulation of foam cells and thickness of the intimal plaques. Three months after irradiation, these thickened plaques became fibrotic, calcified, and necrotic. The tunica media was thinned and the internal elastic lamella was destroyed. Irradiated arteries exhibited not only severe narrowing of the lumen but also aneurysmal dilation and the lesions of the irradiated arteries resembled human atherosclerosis. In conclusion, the atherosclerotic model produced by combining experimental hypercholesterolemia and X-ray irradiaiton may serve as a useful model for studies on atherosclerosis because it can be prepared with no need of complicated or time-consuming procedures. (N.K.)

  19. Similarity index between irrigation water and soil saturation extract in the experimental field of Yachay University, Ecuador

    Science.gov (United States)

    Carrera-Villacrés, D. V.; Sánchez-Gómez, V. P.; Portilla-Bravo, O. A.; Bolaños-Guerrón, D. R.

    2017-08-01

    Soil monitoring is a job that demands a lot of time and money. therefore, measuring the same parameters in the water becomes simple because it can be done in situ. The objective of this work was to find a similarity index for the validation of mathematical correlation models based on physicochemical parameters to verify if there is a balance between irrigation water and soil saturation extract in the experimental field Yachay that is known as the city of knowledge that is located in Imbabura province, Ecuador, for which, the sampling of water was carried out in two representative periods (dry and rainy). Sampling of 10 soil profiles was also performed, covering the total area; these samples were obtained results of Electrical Conductivity (EC), pH and total dissolved salts (TDS). With correlation models between soils and water, it is possible to predict concentrations of elements in the irrigation water. It was concluded that there is a balance between soil and water, so that the salts present in the soil are highly soluble, in addition, there is a high probability that the elements in the irrigation water are in the soil. In sample water, the same concentrations were found in the soil, at their saturation point, and very close to the field capacity.

  20. Application of the similarity theory to the generalization of experimental results for thermal physic properties of raw cotton and its components

    International Nuclear Information System (INIS)

    Salakhutdinov, M.I.; Mukhiddinov, K.S.; Marupov, R.

    2006-01-01

    In the paper carried out generalization of experimental results on specific isobaric thermal capacity, heat conductivity and thermal diffusivity coefficients of raw cotton of sort 9326-B and its components on the basis of similarity theory

  1. Experimental Evaluation of Interference Rejection Combining for 5G small cells,

    DEFF Research Database (Denmark)

    Assefa, Dereje; Berardinelli, Gilberto; Tavares, Fernando Menezes Leitão

    2015-01-01

    The Interference Rejection Combining (IRC) receiver can significantly boost the network throughput in scenarios characterized by dense uncoordinated deployment of small cells, as targeted by future 5th generation (5G) radio access technology. This paper presents an experimental study...

  2. Stacking interactions between carbohydrate and protein quantified by combination of theoretical and experimental methods.

    Directory of Open Access Journals (Sweden)

    Michaela Wimmerová

    Full Text Available Carbohydrate-receptor interactions are an integral part of biological events. They play an important role in many cellular processes, such as cell-cell adhesion, cell differentiation and in-cell signaling. Carbohydrates can interact with a receptor by using several types of intermolecular interactions. One of the most important is the interaction of a carbohydrate's apolar part with aromatic amino acid residues, known as dispersion interaction or CH/π interaction. In the study presented here, we attempted for the first time to quantify how the CH/π interaction contributes to a more general carbohydrate-protein interaction. We used a combined experimental approach, creating single and double point mutants with high level computational methods, and applied both to Ralstonia solanacearum (RSL lectin complexes with α-L-Me-fucoside. Experimentally measured binding affinities were compared with computed carbohydrate-aromatic amino acid residue interaction energies. Experimental binding affinities for the RSL wild type, phenylalanine and alanine mutants were -8.5, -7.1 and -4.1 kcal x mol(-1, respectively. These affinities agree with the computed dispersion interaction energy between carbohydrate and aromatic amino acid residues for RSL wild type and phenylalanine, with values -8.8, -7.9 kcal x mol(-1, excluding the alanine mutant where the interaction energy was -0.9 kcal x mol(-1. Molecular dynamics simulations show that discrepancy can be caused by creation of a new hydrogen bond between the α-L-Me-fucoside and RSL. Observed results suggest that in this and similar cases the carbohydrate-receptor interaction can be driven mainly by a dispersion interaction.

  3. Does computer-synthesized speech manifest personality? Experimental tests of recognition, similarity-attraction, and consistency-attraction.

    Science.gov (United States)

    Nass, C; Lee, K M

    2001-09-01

    Would people exhibit similarity-attraction and consistency-attraction toward unambiguously computer-generated speech even when personality is clearly not relevant? In Experiment 1, participants (extrovert or introvert) heard a synthesized voice (extrovert or introvert) on a book-buying Web site. Participants accurately recognized personality cues in text to speech and showed similarity-attraction in their evaluation of the computer voice, the book reviews, and the reviewer. Experiment 2, in a Web auction context, added personality of the text to the previous design. The results replicated Experiment 1 and demonstrated consistency (voice and text personality)-attraction. To maximize liking and trust, designers should set parameters, for example, words per minute or frequency range, that create a personality that is consistent with the user and the content being presented.

  4. COMPARISON OF EXPERIMENTAL-DESIGNS COMBINING PROCESS AND MIXTURE VARIABLES .2. DESIGN EVALUATION ON MEASURED DATA

    NARCIS (Netherlands)

    DUINEVELD, C. A. A.; Smilde, A. K.; Doornbos, D. A.

    1993-01-01

    The construction of a small experimental design for a combination of process and mixture variables is a problem which has not been solved completely by now. In a previous paper we evaluated some designs with theoretical measures. This second paper evaluates the capabilities of the best of these

  5. COMPARISON OF EXPERIMENTAL-DESIGNS COMBINING PROCESS AND MIXTURE VARIABLES .1. DESIGN CONSTRUCTION AND THEORETICAL EVALUATION

    NARCIS (Netherlands)

    DUINEVELD, CAA; SMILDE, AK; DOORNBOS, DA

    The combination of process variables and mixture variables in experimental design is a problem which has not yet been solved. It is examined here whether a set of designs can be found which can be used for a series of models of reasonable complexity. The proposed designs are compared with known

  6. COMPARISON OF EXPERIMENTAL-DESIGNS COMBINING PROCESS AND MIXTURE VARIABLES .1. DESIGN CONSTRUCTION AND THEORETICAL EVALUATION

    NARCIS (Netherlands)

    DUINEVELD, C. A. A.; Smilde, A. K.; Doornbos, D. A.

    1993-01-01

    The combination of process variables and mixture variables in experimental design is a problem which has not yet been solved. It is examined here whether a set of designs can be found which can be used for a series of models of reasonable complexity. The proposed designs are compared with known

  7. COMPARISON OF EXPERIMENTAL-DESIGNS COMBINING PROCESS AND MIXTURE VARIABLES .2. DESIGN EVALUATION ON MEASURED DATA

    NARCIS (Netherlands)

    DUINEVELD, CAA; SMILDE, AK; DOORNBOS, DA

    The construction of a small experimental design for a combination of process and mixture variables is a problem which has not been solved completely by now. In a previous paper we evaluated some designs with theoretical measures. This second paper evaluates the capabilities of the best of these

  8. Experimental study of chemical embolus therapy combined with radiotherapy for VX2 bone tumors

    International Nuclear Information System (INIS)

    Yamaguchi, Hiroshi; Mochizuki, Kazuo; Ishii, Yoshiaki

    2000-01-01

    We conducted an experimental study, using a combination of coarse crystal cisplatin and radiotherapy for bone tumors, to evaluate the possibility of the clinical application of chemical embolus therapy in the field of orthopedic surgery. Experimental femoral bone tumors were produced, in rabbits, using VX2 carcinoma. The rabbits were allocated to five groups: untreated control, embolus, chemical embolus, irradiation alone, and chemical embolus and irradiation combination. These therapies were evaluated comparatively, in terms of local antitumor effects (including body weight, X-ray findings, angiography, and histopathology) and in terms of inhibition of pulmonary metastasis. Local antitumor effects, as evaluated by all parameters, except for body weight, were significantly greater for the chemical and irradiation combination group than for the chemical embolus, irradiation alone, untreated control, and embolus groups. There was no significant difference in the inhibition of pulmonary metastasis among the chemical embolus and irradiation combination, chemical embolus, and irradiation alone groups. These findings demonstrated the synergistic effect of the combination of chemical embolus therapy and radiotherapy. In this study, however, no significant difference was found between the chemical embolus therapy alone and the combination therapy groups in the inhibitory effect on pulmonary tumor metastasis, suggesting the need to conduct combination therapy repeatedly in the clinical setting. (author)

  9. Frictional processes during flank motion at Mount Etna (Italy): experimental characterisation of slip on similar and dissimilar volcanic and sedimentary rocks.

    Science.gov (United States)

    Rozanski, Wojciech; Lavallee, Yan; Kendrick, Jackie; Castagna, Angela; Mitchell, Thomas; Heap, Michael; Vinciguerra, Sergio; Hirose, Takehiro; Dingwell, Donald

    2015-04-01

    The edifice of Mount Etna (Italy) is structurally unstable, exhibiting a near continuous ESE seaward sliding along a set of faults due to interplay between regional tectonics, gravity instability and magma intrusion. Continuous seismic and ground deformation monitoring reveals the resulting large-scale flank motion at variable rates. The mechanisms controlling this faulting kinetic remains, however, poorly constrained. Examination of the fault zones reveals a range of rock types along the different fault segments: fresh and altered basalt, clay and limestone. As lithological contrasts can jeopardise the structural stability of an edifice, we experimentally investigate the frictional properties of these rocks using low- to high-velocity-rotary shear tests on similar and dissimilar rocks to better understand episodes of slow flank motion as well as rapid and catastrophic sector collapse events. The first set of experiments was performed at velocities up to 1.2 m/s and at normal stresses of 1.5 MPa, commensurate with depths of the contacts seen in the Etna edifice. Friction experiments on clay gouge shows the strong rate-weakening dependence of slip in this material as well as the release of carbon dioxide. Friction experiments on solid rocks show a wider range of mechanical behaviour. At high velocity (>0.6 m/s) volcanic rocks tend to melt whereas the clay and limestone do not; rather they decarbonate, which prevents the rock from achieving the temperature required for melting. Experiments on dissimilar rocks clearly show that composition of host rocks affects the composition and viscosity of the resultant frictional melt, which can have a dramatic effect on shear stress leading to fault weakening or strengthening depending on the combination of host rock samples. A series of low- to moderate-slip velocity experiments is now being conducted to complement our dataset and provide a more complete rock friction model applicable to Mount Etna.

  10. Cross-cultural similarities and differences in person-body reasoning: experimental evidence from the United Kingdom and Brazilian Amazon.

    Science.gov (United States)

    Cohen, Emma; Burdett, Emily; Knight, Nicola; Barrett, Justin

    2011-01-01

    We report the results of a cross-cultural investigation of person-body reasoning in the United Kingdom and northern Brazilian Amazon (Marajó Island). The study provides evidence that directly bears upon divergent theoretical claims in cognitive psychology and anthropology, respectively, on the cognitive origins and cross-cultural incidence of mind-body dualism. In a novel reasoning task, we found that participants across the two sample populations parsed a wide range of capacities similarly in terms of the capacities' perceived anchoring to bodily function. Patterns of reasoning concerning the respective roles of physical and biological properties in sustaining various capacities did vary between sample populations, however. Further, the data challenge prior ad-hoc categorizations in the empirical literature on the developmental origins of and cognitive constraints on psycho-physical reasoning (e.g., in afterlife concepts). We suggest cross-culturally validated categories of "Body Dependent" and "Body Independent" items for future developmental and cross-cultural research in this emerging area. Copyright © 2011 Cognitive Science Society, Inc.

  11. A comparative experimental approach to ecotoxicology in shallow-water and deep-sea holothurians suggests similar behavioural responses.

    Science.gov (United States)

    Brown, Alastair; Wright, Roseanna; Mevenkamp, Lisa; Hauton, Chris

    2017-10-01

    Exploration of deep-sea mineral resources is burgeoning, raising concerns regarding ecotoxicological impacts on deep-sea fauna. Assessing toxicity in deep-sea species is technologically challenging, which promotes interest in establishing shallow-water ecotoxicological proxy species. However, the effects of temperature and hydrostatic pressure on toxicity, and how adaptation to deep-sea environmental conditions might moderate these effects, are unknown. To address these uncertainties we assessed behavioural and physiological (antioxidant enzyme activity) responses to exposure to copper-spiked artificial sediments in a laboratory experiment using a shallow-water holothurian (Holothuria forskali), and in an in situ experiment using a deep-sea holothurian (Amperima sp.). Both species demonstrated sustained avoidance behaviour, evading contact with contaminated artificial sediment. However, A. sp. demonstrated sustained avoidance of 5mgl -1 copper-contaminated artificial sediment whereas H. forskali demonstrated only temporary avoidance of 5mgl -1 copper-contaminated artificial sediment, suggesting that H. forskali may be more tolerant of metal exposure over 96h. Nonetheless, the acute behavioural response appears consistent between the shallow-water species and the deep-sea species, suggesting that H. forskali may be a suitable ecotoxicological proxy for A. sp. in acute (≤24h) exposures, which may be representative of deep-sea mining impacts. No antioxidant response was observed in either species, which was interpreted to be the consequence of avoiding copper exposure. Although these data suggest that shallow-water taxa may be suitable ecotoxicological proxies for deep-sea taxa, differences in methodological and analytical approaches, and in sex and reproductive stage of experimental subjects, require caution in assessing the suitability of H. forskali as an ecotoxicological proxy for A. sp. Nonetheless, avoidance behaviour may have bioenergetic consequences that

  12. Experimental Study of Advanced Treatment of Coking Wastewater Using MBR-RO Combined Process

    Science.gov (United States)

    Zhang, Lei; Hwang, Jiannyang; Leng, Ting; Xue, Gaifeng; Chang, Hongbing

    A membrane bioreactor-reverse osmosis (MBR-RO) combined process was used for advanced treatment of coking wastewater from secondary biological treatment. MBR and RO units' treatment efficiency for the pollution removal were conducted, and effects of raw water conductivity and trans-membrane pressure on water yield and desalination rate in RO unit were investigated in detail. The experimental results proved that MBR-RO combined process ran steadily with good treatment effect, which could obtain stable effluent water quality and met the requirement of "Design Criterion of the Industrial Circulating Cooling Water Treatment" (GB 50050-2007).

  13. SPECT reconstruction of combined cone beam and parallel hole collimation with experimental data

    International Nuclear Information System (INIS)

    Li, Jianying; Jaszczak, R.J.; Turkington, T.G.; Greer, K.L.; Coleman, R.E.

    1993-01-01

    The authors have developed three methods to combine parallel and cone bean (P and CB) SPECT data using modified Maximum Likelihood-Expectation Maximization (ML-EM) algorithms. The first combination method applies both parallel and cone beam data sets to reconstruct a single intermediate image after each iteration using the ML-EM algorithm. The other two iterative methods combine the intermediate parallel beam (PB) and cone beam (CB) source estimates to enhance the uniformity of images. These two methods are ad hoc methods. In earlier studies using computer Monte Carlo simulation, they suggested that improved images might be obtained by reconstructing combined P and CB SPECT data. These combined collimation methods are qualitatively evaluated using experimental data. An attenuation compensation is performed by including the effects of attenuation in the transition matrix as a multiplicative factor. The combined P and CB images are compared with CB-only images and the result indicate that the combined P and CB approaches suppress artifacts caused by truncated projections and correct for the distortions of the CB-only images

  14. Duration and distribution of experimental muscular hyperalgesia in humans following combined infusions of serotonin and bradykinin

    DEFF Research Database (Denmark)

    Babenko, Victor; Svensson, Peter; Graven-Nielsen, Thomas

    2000-01-01

    -infusions interval of 3 min. Infusions of isotonic saline (NaCl, 0.9%) were given as control. Pain intensity was continuously scored on a visual analogue scale (VAS), and subjects drew the distribution of the pain areas on an anatomical map. Pressure pain thresholds (PPTs) were assessed with an electronic algometer....... In addition, PPTs were significantly decreased (Peffect of bradykinin in producing experimental muscle pain and muscle hyperalgesia to mechanical stimuli. The combination of serotonin and bradykinin can produce muscle...

  15. Combined application of mixture experimental design and artificial neural networks in the solid dispersion development.

    Science.gov (United States)

    Medarević, Djordje P; Kleinebudde, Peter; Djuriš, Jelena; Djurić, Zorica; Ibrić, Svetlana

    2016-01-01

    This study for the first time demonstrates combined application of mixture experimental design and artificial neural networks (ANNs) in the solid dispersions (SDs) development. Ternary carbamazepine-Soluplus®-poloxamer 188 SDs were prepared by solvent casting method to improve carbamazepine dissolution rate. The influence of the composition of prepared SDs on carbamazepine dissolution rate was evaluated using d-optimal mixture experimental design and multilayer perceptron ANNs. Physicochemical characterization proved the presence of the most stable carbamazepine polymorph III within the SD matrix. Ternary carbamazepine-Soluplus®-poloxamer 188 SDs significantly improved carbamazepine dissolution rate compared to pure drug. Models developed by ANNs and mixture experimental design well described the relationship between proportions of SD components and percentage of carbamazepine released after 10 (Q10) and 20 (Q20) min, wherein ANN model exhibit better predictability on test data set. Proportions of carbamazepine and poloxamer 188 exhibited the highest influence on carbamazepine release rate. The highest carbamazepine release rate was observed for SDs with the lowest proportions of carbamazepine and the highest proportions of poloxamer 188. ANNs and mixture experimental design can be used as powerful data modeling tools in the systematic development of SDs. Taking into account advantages and disadvantages of both techniques, their combined application should be encouraged.

  16. Electronic properties of Fe charge transfer complexes – A combined experimental and theoretical approach

    International Nuclear Information System (INIS)

    Ferreira, Hendrik; Eschwege, Karel G. von; Conradie, Jeanet

    2016-01-01

    Highlights: • Experimental and computational study of Fe II -phen, -bpy & -tpy compleesx. • Close correlations between experimental redox and spectral, and computational data. • Computational methods fast-track DSSC research. - Abstract: Dye-sensitized solar cell technology holds huge potential in renewable electricity generation of the future. Due to demand urgency, ways need to be explored to reduce research time and cost. Against this background, quantum computational chemistry is illustrated to be a reliable tool at the onset of studies in this field, simulating charge transfer, spectral (solar energy absorbed) and electrochemical (ease by which electrons may be liberated) tuning of related photo-responsive dyes. Comparative experimental and theoretical DFT studies were done under similar conditions, involving an extended series of electrochemically altered phenanthrolines, bipyridyl and terpyridyl complexes of Fe II . Fe II/III oxidation waves vary from 0.363 V for tris(3,6-dimethoxybipyridyl)Fe II to 0.894 V (versus Fc/Fc + ) for the 5-nitrophenanthroline complex. Theoretical DFT computed ionization potentials in the bipyridyl sub-series achieved an almost 100% linear correlation with experimental electrochemical oxidation potentials, while the phenanthroline sub-series gave R 2 = 0.95. Apart from the terpyridyl complex which accorded an almost perfect match, in general, TDDFT oscillators were computed at slightly lower energies than what was observed experimentally, while molecular HOMO and LUMO renderings reveal desired complexes with directional charge transfer propensities.

  17. A Combined Experimental and Computational Approach to Subject-Specific Analysis of Knee Joint Laxity

    Science.gov (United States)

    Harris, Michael D.; Cyr, Adam J.; Ali, Azhar A.; Fitzpatrick, Clare K.; Rullkoetter, Paul J.; Maletsky, Lorin P.; Shelburne, Kevin B.

    2016-01-01

    Modeling complex knee biomechanics is a continual challenge, which has resulted in many models of varying levels of quality, complexity, and validation. Beyond modeling healthy knees, accurately mimicking pathologic knee mechanics, such as after cruciate rupture or meniscectomy, is difficult. Experimental tests of knee laxity can provide important information about ligament engagement and overall contributions to knee stability for development of subject-specific models to accurately simulate knee motion and loading. Our objective was to provide combined experimental tests and finite-element (FE) models of natural knee laxity that are subject-specific, have one-to-one experiment to model calibration, simulate ligament engagement in agreement with literature, and are adaptable for a variety of biomechanical investigations (e.g., cartilage contact, ligament strain, in vivo kinematics). Calibration involved perturbing ligament stiffness, initial ligament strain, and attachment location until model-predicted kinematics and ligament engagement matched experimental reports. Errors between model-predicted and experimental kinematics averaged ligaments agreed with literature descriptions. These results demonstrate the ability of our constraint models to be customized for multiple individuals and simultaneously call attention to the need to verify that ligament engagement is in good general agreement with literature. To facilitate further investigations of subject-specific or population based knee joint biomechanics, data collected during the experimental and modeling phases of this study are available for download by the research community. PMID:27306137

  18. A comprehensive combined experimental and computational framework for pre-clinical wear simulation of total knee replacements.

    Science.gov (United States)

    Abdelgaied, A; Fisher, J; Jennings, L M

    2018-02-01

    A more robust pre-clinical wear simulation framework is required in order to simulate wider and higher ranges of activities, observed in different patient populations such as younger more active patients. Such a framework will help to understand and address the reported higher failure rates for younger and more active patients (National_Joint_Registry, 2016). The current study has developed and validated a comprehensive combined experimental and computational framework for pre-clinical wear simulation of total knee replacements (TKR). The input mechanical (elastic modulus and Poisson's ratio) and wear parameters of the moderately cross-linked ultra-high molecular weight polyethylene (UHMWPE) bearing material were independently measured from experimental studies under realistic test conditions, similar to the loading conditions found in the total knee replacements. The wear predictions from the computational wear simulation were validated against the direct experimental wear measurements for size 3 Sigma curved total knee replacements (DePuy, UK) in an independent experimental wear simulation study under three different daily activities; walking, deep squat, and stairs ascending kinematic conditions. The measured compressive mechanical properties of the moderately cross-linked UHMWPE material were more than 20% lower than that reported in the literature under tensile test conditions. The pin-on-plate wear coefficient of moderately cross-linked UHMWPE was significantly dependant of the contact stress and the degree of cross-shear at the articulating surfaces. The computational wear predictions for the TKR from the current framework were consistent and in a good agreement with the independent full TKR experimental wear simulation measurements, with 0.94 coefficient of determination of the framework. In addition, the comprehensive combined experimental and computational framework was able to explain the complex experimental wear trends from the three different daily

  19. Genetic determination of high productivity in experimental hybrid combinations of sugar beet (Beta vulgaris L.

    Directory of Open Access Journals (Sweden)

    М. О. Корнєєва

    2016-05-01

    Full Text Available Purpose. Creation of experimental sugar beet hybrid combinations of high sugar yield values and defining gene­tic determination of their heterotic effect. Methods. Diallel crossing and topcrossing, genetic analysis of quantitative traits. Results. The authors have studied the frequency of occurrence of sugar beet heterotic hybrid combinations for «sugar yield» trait created on the basis of two pollinator lines to be genetically valuable for productivity elements, CMS lines and single-cross sterile hybrids with the use of diallel and topcrossing system of controlled hybridization. The share of parental components’ effect and their interaction in CMS hybrids variability for productivity was determined. Expediency of heterotic forecasting based on high combining ability lines was substabtiated. Promising high-yielding sugar beet combinations were selected that exceeded the group standard by 4.1–16.3%. Conclusions. The theory of genetic balance by M. V. Turbin was confirmed. Such hybrids as [CMS 5OT 4]MGP 1 (116.3%, [CMS 1OT 2]MGP 1 (112.5% and [CMS 3OT 5]MGP 1 (113.2% were recognized as the best for their productivity, MGP 1 and MGP 2 lines – as the best for their combining ability.

  20. Experimental study of natural convection heat transfer from an isothermal combined geometry (downward cone- cylinder)

    Energy Technology Data Exchange (ETDEWEB)

    Mokhtari, A. [Yazd Univ., Yazd (Iran, Islamic Republic of). Dept. of Mechanical Engineering; Goharkhah, M.; Ashjaee, M. [Tehran Univ., Tehran (Iran, Islamic Republic of). Dept. of Mechanical Engineering

    2009-07-01

    Laminar free convection heat transfer from an isothermal combined geometry which consists of a downward cone attached to a vertical cylinder was studied. In particular, a Mach-Zehnder interferometer was used to determine the change in local and average heat transfer coefficients on the surface of an isothermal combined geometry for different vertex angles. The effect of the vertex angle on heat transfer was also investigated by keeping the height of the cylinder and slant length of the cone constant for all objects. The experimental data showed that the local heat transfer coefficient on the conical part increased in the vicinity of the cylinder and cone intersection. The distance between the point of minimum heat transfer coefficient on the cone and vertex of the cone decreased as the vertex angle increased. The maximum average Nusselt number for a constant Rayleigh number was obtained for the geometry with the smallest vertex angle. For all objects, the average Nusselt number increased with an increase in the Rayleigh number. An experiment was carried out on a vertical isothermal cylinder of circular cross section in order to validate the experimental approach. An analytical solution was found to be in good agreement with experimental results. 31 refs., 9 figs.

  1. Comparative numerical and experimental study of two combined wind and wave energy concepts

    Directory of Open Access Journals (Sweden)

    Zhen Gao

    2016-01-01

    Full Text Available With a successful and rapid development of offshore wind industry and increased research activities on wave energy conversion in recent years, there is an interest in investigating the technological and economic feasibility of combining offshore wind turbines (WTs with wave energy converters (WECs. In the EU FP7 MARINA Platform project, three floating combined concepts, namely the spar torus combination (STC, the semi-submersible flap combination (SFC and the oscillating water column (OWC array with a wind turbine, were selected and studied in detail by numerical and experimental methods. This paper summarizes the numerical modeling and analysis of the two concepts: STC and SFC, the model tests at a 1:50 scale under simultaneous wave and wind excitation, as well as the comparison between the numerical and experimental results. Both operational and survival wind and wave conditions were considered. The numerical analysis was based on a time-domain global model using potential flow theory for hydrodynamics and blade element momentum theory (for SFC or simplified thrust force model (for STC for aerodynamics. Different techniques for model testing of combined wind and wave concepts were discussed with focus on modeling of wind turbines by disk or redesigned small-scale rotor and modeling of power take-off (PTO system for wave energy conversion by pneumatic damper or hydraulic rotary damper. In order to reduce the uncertainty due to scaling, the numerical analysis was performed at model scale and both the numerical and experimental results were then up-scaled to full scale for comparison. The comparison shows that the current numerical model can well predict the responses (motions, PTO forces, power production of the combined concepts for most of the cases. However, the linear hydrodynamic model is not adequate for the STC concept in extreme wave conditions with the torus fixed to the spar at the mean water level for which the wave slamming on the

  2. Experimental and analytical combined thermal approach for local tribological understanding in metal cutting

    International Nuclear Information System (INIS)

    Artozoul, Julien; Lescalier, Christophe; Dudzinski, Daniel

    2015-01-01

    Metal cutting is a highly complex thermo-mechanical process. The knowledge of temperature in the chip forming zone is essential to understand it. Conventional experimental methods such as thermocouples only provide global information which is incompatible with the high stress and temperature gradients met in the chip forming zone. Field measurements are essential to understand the localized thermo-mechanical problem. An experimental protocol has been developed using advanced infrared imaging in order to measure temperature distribution in both the tool and the chip during an orthogonal or oblique cutting operation. It also provides several information on the chip formation process such as some geometrical characteristics (tool-chip contact length, chip thickness, primary shear angle) and thermo-mechanical information (heat flux dissipated in deformation zone, local interface heat partition ratio). A study is carried out on the effects of cutting conditions i.e. cutting speed, feed and depth of cut on the temperature distribution along the contact zone for an elementary operation. An analytical thermal model has been developed to process experimental data and access more information i.e. local stress or heat flux distribution. - Highlights: • A thermal analytical model is proposed for orthogonal cutting process. • IR thermography is used during cutting tests. • Combined experimental and modeling approaches are applied. • Heat flux and stress distribution at the tool-chip interface are determined. • The decomposition into sticking and sliding zones is defined.

  3. Defect and grain boundary scattering in tungsten: A combined theoretical and experimental study

    Science.gov (United States)

    Lanzillo, Nicholas A.; Dixit, Hemant; Milosevic, Erik; Niu, Chengyu; Carr, Adra V.; Oldiges, Phil; Raymond, Mark V.; Cho, Jin; Standaert, Theodorus E.; Kamineni, Vimal K.

    2018-04-01

    Several major electron scattering mechanisms in tungsten (W) are evaluated using a combination of first-principles density functional theory, a Non-Equilibrium Green's Function formalism, and thin film Kelvin 4-point sheet resistance measurements. The impact of grain boundary scattering is found to be roughly an order of magnitude larger than the impact of defect scattering. Ab initio simulations predict average grain boundary reflection coefficients for a number of twin grain boundaries to lie in the range r = 0.47 to r = 0.62, while experimental data can be fit to the empirical Mayadas-Schatzkes model with a comparable but slightly larger value of r = 0.69. The experimental and simulation data for grain boundary resistivity as a function of grain size show excellent agreement. These results provide crucial insights for understanding the impact of scaling of W-based contacts between active devices and back-end-of-line interconnects in next-generation semiconductor technology.

  4. Surface Traps in Colloidal Quantum Dots: A Combined Experimental and Theoretical Perspective.

    Science.gov (United States)

    Giansante, Carlo; Infante, Ivan

    2017-10-19

    Surface traps are ubiquitous to nanoscopic semiconductor materials. Understanding their atomistic origin and manipulating them chemically have capital importance to design defect-free colloidal quantum dots and make a leap forward in the development of efficient optoelectronic devices. Recent advances in computing power established computational chemistry as a powerful tool to describe accurately complex chemical species and nowadays it became conceivable to model colloidal quantum dots with realistic sizes and shapes. In this Perspective, we combine the knowledge gathered in recent experimental findings with the computation of quantum dot electronic structures. We analyze three different systems: namely, CdSe, PbS, and CsPbI 3 as benchmark semiconductor nanocrystals showing how different types of trap states can form at their surface. In addition, we suggest experimental healing of such traps according to their chemical origin and nanocrystal composition.

  5. Probing the Structure and Dynamics of Proteins by Combining Molecular Dynamics Simulations and Experimental NMR Data.

    Science.gov (United States)

    Allison, Jane R; Hertig, Samuel; Missimer, John H; Smith, Lorna J; Steinmetz, Michel O; Dolenc, Jožica

    2012-10-09

    NMR experiments provide detailed structural information about biological macromolecules in solution. However, the amount of information obtained is usually much less than the number of degrees of freedom of the macromolecule. Moreover, the relationships between experimental observables and structural information, such as interatomic distances or dihedral angle values, may be multiple-valued and may rely on empirical parameters and approximations. The extraction of structural information from experimental data is further complicated by the time- and ensemble-averaged nature of NMR observables. Combining NMR data with molecular dynamics simulations can elucidate and alleviate some of these problems, as well as allow inconsistencies in the NMR data to be identified. Here, we use a number of examples from our work to highlight the power of molecular dynamics simulations in providing a structural interpretation of solution NMR data.

  6. A combined experimental and analytical approach for interface fracture parameters of dissimilar materials in electronic packages

    International Nuclear Information System (INIS)

    Kay, N.R.; Ghosh, S.; Guven, I.; Madenci, E.

    2006-01-01

    This study concerns the development of a combined experimental and analytical technique to determine the critical values of fracture parameters for interfaces between dissimilar materials in electronic packages. This technique utilizes specimens from post-production electronic packages. The mechanical testing is performed inside a scanning electron microscope while the measurements are achieved by means of digital image correlation. The measured displacements around the crack tip are used as the boundary conditions for the analytical model to compute the energy release rate. The critical energy release rate values obtained from post-production package specimens are obtained to be lower than those laboratory specimens

  7. Combined conditioning in the high-temperature experimental nuclear reactor (AVR) at Juelich

    International Nuclear Information System (INIS)

    Nieder, R.; Vey, K.; Ivens, G.

    1984-01-01

    The high temperature experimental nuclear reactor (AVR) is the first nuclear power plant in which combined cycle operation has been introduced. The water-steam cycle has been operated for about 15 years according to the alkali method of working with ammonia and hydrazine. The VGB-guidelines have been adhered to througout. Since January 1983 cobined cycle operation has been employed, and in this process a pH-value of about 8.5 and an oxygen concentration of about 200 μg/kg in the feedwater have been used. A distinct reduction of tritium concentration in the water-steam cycle was the outstanding new result. (orig.) [de

  8. Cranberry juice and combinations of its organic acids are effective against experimental urinary tract infection

    DEFF Research Database (Denmark)

    Jensen, Heidi Dorthe; Struve, Carsten; Christensen, Søren Brøgger

    2017-01-01

    The antibacterial effect of cranberry juice and the organic acids therein on infection by uro28 pathogenic Escherichia coli was studied in an experimental mouse model of urinary tract infection (UTI). Reduced bacterial counts were found in the bladder (P ... administered singly, did not have any effect in the UTI model. Apparently, the antibacterial effect of the organic acids from cranberry juice on UTI can be obtained by administering a combination of malic acid and either citric or quinic acid. This study show for the first time that cranberry juice reduce E...

  9. Aeroacoustics of rectangular T-junctions subject to combined grazing and bias flows - An experimental investigation

    Science.gov (United States)

    Holmberg, Andreas; Karlsson, Mikael; Åbom, Mats

    2015-03-01

    Scattering matrices are determined experimentally and used to study the low-amplitude interaction, between the acoustic and the hydrodynamic fields in a T-junction of rectangular ducts. In particular, combinations of grazing and bias flows are investigated in the study. It is observed that for all flow combinations, waves incident on the junction at the downstream side only are attenuated, while waves incident at the other branches may be amplified or attenuated, depending on the Strouhal number. When bias in-flow is introduced to a grazing flow, there is first an increase and then a decrease in both amplification and attenuation, as the bias in-flow Mach number is increased. Comparing with T-junctions of circular ducts, the interaction is stronger for rectangular duct junctions.

  10. Experimental demonstration of spatially coherent beam combining using optical parametric amplification.

    Science.gov (United States)

    Kurita, Takashi; Sueda, Keiichi; Tsubakimoto, Koji; Miyanaga, Noriaki

    2010-07-05

    We experimentally demonstrated coherent beam combining using optical parametric amplification with a nonlinear crystal pumped by random-phased multiple-beam array of the second harmonic of a Nd:YAG laser at 10-Hz repetition rate. In the proof-of-principle experiment, the phase jump between two pump beams was precisely controlled by a motorized actuator. For the demonstration of multiple-beam combining a random phase plate was used to create random-phased beamlets as a pump pulse. Far-field patterns of the pump, the signal, and the idler indicated that the spatially coherent signal beams were obtained on both cases. This approach allows scaling of the intensity of optical parametric chirped pulse amplification up to the exa-watt level while maintaining diffraction-limited beam quality.

  11. Detection of structurally similar adulterants in botanical dietary supplements by thin-layer chromatography and surface enhanced Raman spectroscopy combined with two-dimensional correlation spectroscopy.

    Science.gov (United States)

    Li, Hao; Zhu, Qing xia; Chwee, Tsz sian; Wu, Lin; Chai, Yi feng; Lu, Feng; Yuan, Yong fang

    2015-07-09

    Thin-layer chromatography (TLC) coupled with surface enhanced Raman spectroscopy (SERS) has been widely used for the study of various complex systems, especially for the detection of adulterants in botanical dietary supplements (BDS). However, this method is not sufficient to distinguish structurally similar adulterants in BDS since the analogs have highly similar chromatographic and/or spectroscopic behaviors. Taking into account the fact that higher cost and more time will be required for comprehensive chromatographic separation, more efforts with respect to spectroscopy are now focused on analyzing the overlapped SERS peaks. In this paper, the combination of a TLC-SERS method with two-dimensional correlation spectroscopy (2DCOS), with duration of exposure to laser as the perturbation, is applied to solve this problem. Besides the usual advantages of the TLC-SERS method, such as its simplicity, rapidness, and sensitivity, more advantages are presented here, such as enhanced selectivity and good reproducibility, which are obtained by 2DCOS. Two chemicals with similar structures are successfully differentiated from the complex BDS matrices. The study provides a more accurate qualitative screening method for detection of BDS with adulterants, and offers a new universal approach for the analysis of highly overlapped SERS peaks. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. Combination of Pharmacophore Matching, 2D Similarity Search, and In Vitro Biological Assays in the Selection of Potential 5-HT6 Antagonists from Large Commercial Repositories.

    Science.gov (United States)

    Dobi, Krisztina; Flachner, Beáta; Pukáncsik, Mária; Máthé, Enikő; Bognár, Melinda; Szaszkó, Mária; Magyar, Csaba; Hajdú, István; Lőrincz, Zsolt; Simon, István; Fülöp, Ferenc; Cseh, Sándor; Dormán, György

    2015-10-01

    Rapid in silico selection of target-focused libraries from commercial repositories is an attractive and cost-effective approach. If structures of active compounds are available, rapid 2D similarity search can be performed on multimillion compound databases, but the generated library requires further focusing. We report here a combination of the 2D approach with pharmacophore matching which was used for selecting 5-HT6 antagonists. In the first screening round, 12 compounds showed >85% antagonist efficacy of the 91 screened. For the second-round (hit validation) screening phase, pharmacophore models were built, applied, and compared with the routine 2D similarity search. Three pharmacophore models were created based on the structure of the reference compounds and the first-round hit compounds. The pharmacophore search resulted in a high hit rate (40%) and led to novel chemotypes, while 2D similarity search had slightly better hit rate (51%), but lacking the novelty. To demonstrate the power of the virtual screening cascade, ligand efficiency indices were also calculated and their steady improvement was confirmed. © 2015 John Wiley & Sons A/S.

  13. Experimental study of a combined system of solar Kang and solar air collector

    International Nuclear Information System (INIS)

    Wei, Wei; Ji, Jie; Chow, Tin-Tai; He, Wei; Chen, Haifei; Guo, Chao; Yu, Hancheng

    2015-01-01

    Highlights: • A combined system of solar Kang and solar air collector is proposed. • An experimental study on the combined system is made. • The mean air temperature reaches 18.5 °C and maintains above 18 °C for 13 h. • The corresponding mean indoor air temperature of the reference room is 8.9 °C. • The Kang surface temperature reaches 27 °C and maintains above 18 °C for 23 h. - Abstract: Chinese Kang is widely used as heated bed and for heat recovery of cooking stove in Northern China. However there are main drawbacks of indoor and outdoor air pollutant generation and heavy demands on solid fuel handling. A novel combined Kang system, which integrates solar Kang and solar air collector, is here proposed. Experiments were conducted to examine the alternative operating modes: (i) only solar air collector in service, (ii) only solar Kang in service, and (iii) both solar Kang and solar air collector in service. The results show that these three modes behave differently and have distinct effects on room thermal environment in winter. When this pollution-free system operates under the third combined mode, the room temperature increases significantly and the vertical temperature gradient reduces. The Kang surface temperature increases and its uniformity is improved. It is also found that the room air temperature is closely related to the Kang surface temperature. Furthermore, most of the time the thermal environment meets the occupant need. This paper reports the experimental work and investigates into the effects on indoor thermal environment as in rural residences in Northern China

  14. Experimental design and modelling approach to evaluate efficacy of β-lactam/β-lactamase inhibitor combinations.

    Science.gov (United States)

    Sy, S K B; Derendorf, H

    2017-07-29

    A β-lactamase inhibitor (BLI) confers susceptibility of β-lactamase-expressing multidrug resistant (MDR) organisms to the partnering β-lactam (BL). To discuss the experimental design and modelling strategies for two-drug combinations, using ceftazidime- and aztreonam-avibactam combinations, as examples. The information came from several publications on avibactam in vitro time-kill studies and corresponding pharmacodynamic models. The experimental design to optimally gather crucial information from constant-concentration time-kill studies is to use an agile matrix of two-drug concentration combinations that cover 0.25- to 4-fold BL minimum inhibitory concentration (MIC) relative to the BLI concentrations to be tested against the particular isolate. This shifting agile design can save substantial costs and resources, without sacrificing crucial information needed for model development. The complex synergistic BL/BLI interaction is quantitatively explored using a semi-mechanistic pharmacokinetic-pharmacodynamic (PK/PD) mathematical model that accounts for antimicrobial activities in the combination, bacteria-mediated BL degradation and inhibition of BL degradation by BLI. A predictive mathematical formulation for the two-drug killing effects preserves the correlation between the model-derived EC 50 of BL and the BL MIC. The predictive value of PK/PD model is evaluated against external data that were not used for model development, including but not limited to in vitro hollow fibre and in vivo murine infection models. As a framework for translational predictions, the goal of this modelling strategy is to significantly decrease the decision-making time by running clinical trial simulations with MIC-substituted EC 50 function for isolates of comparable susceptibility through established correlation between BL MIC and EC 50 values. Copyright © 2017 European Society of Clinical Microbiology and Infectious Diseases. Published by Elsevier Ltd. All rights reserved.

  15. A comparison of detomidine in combination with saline, morphine or methadone in horses submitted to experimental oral stimuli

    Directory of Open Access Journals (Sweden)

    Rafael Costa Guilhen

    2015-12-01

    Full Text Available This study aimed to compare the sedative and cardiopulmonary effects of detomidine in combination with saline, morphine or methadone and to determine whether the addition of these opioids increases the degree of sedation in horses submitted to experimental oral stimuli. In a blinded, randomized, experimental study, six adult mares were evaluated using a crossover design with at least 15 days between trials: 10?g/kg detomidine in combination with saline (D/SAL, 0.1mg/kg morphine (D/ MORPH or 0.1mg/kg methadone (D/METH. The degree of sedation, response to oral stimuli and cardiopulmonary parameters were monitored for 120 minutes. Parametric data were analyzed using the ANOVA and Tukey’s tests, and non- parametric data were analyzed with the Kruskal-Wallis and Friedman’s tests with the post-Dunn test (P<0.05. The degree of sedation was significantly greater for the D/SAL than for the D/MORPH and D/METH treatments at 30 min. The horses´ responses to the oral stimuli decreased significantly following all treatments at 5 and 30 min from baseline values. The heart rate, respiratory rate, arterial pH and blood gas variables were all similar among the treatment groups. Mean arterial blood pressure was significantly higher in the D/MORPH group when compared with the D/SAL group between 75 and 120 min. It was concluded that all treatments provided sedative effects with mild cardiopulmonary changes. However the addition of morphine or methadone to detomidine did not improve the degree of sedation in horses submitted to experimental oral stimuli.

  16. Experimental study on combined cold forging process of backward cup extrusion and piercing

    Science.gov (United States)

    Henry, Robinson; Liewald, Mathias

    2018-05-01

    A reduction in material usage of cold forged components while maintaining the functional requirements can be achieved using hollow or tubular preforms. These preforms are used to meet lightweight requirements and to decrease production costs of cold formed components. To increase production efficiency in common multi-stage cold forming processes, manufacturing of hollow preforms by combining the processes backward cup extrusion and piercing was established and will be discussed in this paper. Corresponding investigations and experimental studies are reported in this article. The objectives of the experimental investigations have been the detection of significant process parameters, determination of process limits for the combined processes and validation of the numerical investigations. In addition, the general influence concerning surface quality and diameter tolerance of hollow performs are discussed in this paper. The final goal is to summarize a guideline for industrial application, moreover, to transfer the knowledge to industry, as regards what are required part geometries to reduce the number of forming stages as well as tool cost.

  17. Combining experimental and simulation data of molecular processes via augmented Markov models.

    Science.gov (United States)

    Olsson, Simon; Wu, Hao; Paul, Fabian; Clementi, Cecilia; Noé, Frank

    2017-08-01

    Accurate mechanistic description of structural changes in biomolecules is an increasingly important topic in structural and chemical biology. Markov models have emerged as a powerful way to approximate the molecular kinetics of large biomolecules while keeping full structural resolution in a divide-and-conquer fashion. However, the accuracy of these models is limited by that of the force fields used to generate the underlying molecular dynamics (MD) simulation data. Whereas the quality of classical MD force fields has improved significantly in recent years, remaining errors in the Boltzmann weights are still on the order of a few [Formula: see text], which may lead to significant discrepancies when comparing to experimentally measured rates or state populations. Here we take the view that simulations using a sufficiently good force-field sample conformations that are valid but have inaccurate weights, yet these weights may be made accurate by incorporating experimental data a posteriori. To do so, we propose augmented Markov models (AMMs), an approach that combines concepts from probability theory and information theory to consistently treat systematic force-field error and statistical errors in simulation and experiment. Our results demonstrate that AMMs can reconcile conflicting results for protein mechanisms obtained by different force fields and correct for a wide range of stationary and dynamical observables even when only equilibrium measurements are incorporated into the estimation process. This approach constitutes a unique avenue to combine experiment and computation into integrative models of biomolecular structure and dynamics.

  18. Pre-treatment of Biomass By Rolling - A Combined Experimental and Numerical Analysis

    DEFF Research Database (Denmark)

    Hansen, Klaus Schütt; Ravn, Christian; Nielsen, Emil Krabbe

    2017-01-01

    Pre-treatment of bulk straw material by rolling is studied as a possible method to prepare for subsequent biogas production. A combined experimental and theoretical study is presented. A pilot rolling mill with a double screw feeder is designed and constructed for crushing of bulk straw. Experime...... process window for pre-treatment of wheat straw by roll pressing varying the feed, the roll gap, the roll speed and the moisture content of the bulk straw.......Pre-treatment of bulk straw material by rolling is studied as a possible method to prepare for subsequent biogas production. A combined experimental and theoretical study is presented. A pilot rolling mill with a double screw feeder is designed and constructed for crushing of bulk straw....... Experiments show that the roll speed and the roll reduction should be chosen within a specific range depending on the injection screw speed to avoid blocking or insufficient compaction. A mechanical testing procedure of the bulk straw material including closed die compaction testing as well as simple...

  19. Biocompatible Nanoemulsions for Improved Aceclofenac Skin Delivery: Formulation Approach Using Combined Mixture-Process Experimental Design.

    Science.gov (United States)

    Isailović, Tanja; Ðorđević, Sanela; Marković, Bojan; Ranđelović, Danijela; Cekić, Nebojša; Lukić, Milica; Pantelić, Ivana; Daniels, Rolf; Savić, Snežana

    2016-01-01

    We aimed to develop lecithin-based nanoemulsions intended for effective aceclofenac (ACF) skin delivery utilizing sucrose esters [sucrose palmitate (SP) and sucrose stearate (SS)] as additional stabilizers and penetration enhancers. To find the suitable surfactant mixtures and levels of process variables (homogenization pressure and number of cycles - high pressure homogenization manufacturing method) that result in drug-loaded nanoemulsions with minimal droplet size and narrow size distribution, a combined mixture-process experimental design was employed. Based on optimization data, selected nanoemulsions were evaluated regarding morphology, surface charge, drug-excipient interactions, physical stability, and in vivo skin performances (skin penetration and irritation potential). The predicted physicochemical properties and storage stability were proved satisfying for ACF-loaded nanoemulsions containing 2% of SP in the blend with 0%-1% of SS and 1%-2% of egg lecithin (produced at 50°C/20 cycles/800 bar). Additionally, the in vivo tape stripping demonstrated superior ACF skin absorption from these nanoemulsions, particularly from those containing 2% of SP, 0.5% of SS, and 1.5% of egg lecithin, when comparing with the sample costabilized by conventional surfactant - polysorbate 80. In summary, the combined mixture-process experimental design was shown as a feasible tool for formulation development of multisurfactant-based nanosized delivery systems with potentially improved overall product performances.

  20. Combined computational and experimental approach to improve the assessment of mitral regurgitation by echocardiography.

    Science.gov (United States)

    Sonntag, Simon J; Li, Wei; Becker, Michael; Kaestner, Wiebke; Büsen, Martin R; Marx, Nikolaus; Merhof, Dorit; Steinseifer, Ulrich

    2014-05-01

    Mitral regurgitation (MR) is one of the most frequent valvular heart diseases. To assess MR severity, color Doppler imaging (CDI) is the clinical standard. However, inadequate reliability, poor reproducibility and heavy user-dependence are known limitations. A novel approach combining computational and experimental methods is currently under development aiming to improve the quantification. A flow chamber for a circulatory flow loop was developed. Three different orifices were used to mimic variations of MR. The flow field was recorded simultaneously by a 2D Doppler ultrasound transducer and Particle Image Velocimetry (PIV). Computational Fluid Dynamics (CFD) simulations were conducted using the same geometry and boundary conditions. The resulting computed velocity field was used to simulate synthetic Doppler signals. Comparison between PIV and CFD shows a high level of agreement. The simulated CDI exhibits the same characteristics as the recorded color Doppler images. The feasibility of the proposed combination of experimental and computational methods for the investigation of MR is shown and the numerical methods are successfully validated against the experiments. Furthermore, it is discussed how the approach can be used in the long run as a platform to improve the assessment of MR quantification.

  1. Experimental investigation of extended Kalman Filter combined with carrier phase recovery for 16-QAM system

    Science.gov (United States)

    Shu, Tong; Li, Yan; Yu, Miao; Zhang, Yifan; Zhou, Honghang; Qiu, Jifang; Guo, Hongxiang; Hong, Xiaobin; Wu, Jian

    2018-02-01

    Performance of Extended Kalman Filter combined with the Viterbi-Viterbi phase estimation (VVPE-EKF) for joint phase noise mitigation and amplitude noise equalization is experimental demonstrated. Experimental results show that, for 11.2 Gbaud SP-16-QAM, the proposed VVPE-EKF achieves 0.9 dB required OSNR reduction at bit error ratio (BER) of 3.8e-3 compared to the VVPE. The result of maximum likelihood combined with VVPE (VVPE-ML) is only 0.3 dB. For 28 GBaud SP-16-QAM signal, VVPE-EKF achieves 3 dB required OSNR reduction at BER=3.8e-3 (7% HD-FEC threshold) compared to VVPE. And VVPE-ML can reduce the required OSNR for 1.7 dB compared to the VVPE. VVPE-EKF outperforms DD-EKF 3.7 dB and 0.7 dB for 11.2 GBaud and 28 GBaud system, respectively.

  2. Experimental And Theoretical Stress Analysis For Composite Plate Under Combined Load

    Directory of Open Access Journals (Sweden)

    Emad Qasim Hussein

    2017-12-01

    Full Text Available The combined effects of thermal and mechanical loadings on the distribution of stress-strain for E-glass fiber /polyester composite plates are investigated experimentally and numerically. The experimental work has been carried out by applying to a uniform temperature and tensile load on the composite plate inside the furnace and the deformation of plate measured by a dial gauge. Two parameter studies, the fiber volume fraction and fiber orientation on the stress-strain for plates subjected to identical mechanical and temperature gradient. The results presented showed that, the maximum absolute of total strain in longitudinal direction occurred at 50 N tension load and fiber angle 60º, while the minimum absolute values of it occurred at 15 N tension loads and fiber angle 0º. However the maximum absolute of total strain in transverse direction occurred at 15N tension load and fiber angle 0º, while the minimum absolute values of it are obtained at 50 N tension loads and fiber angle 60º. Also, the total strain in longitudinal and transverse direction decrease with increasing the fiber volume fraction. Comparison of the results in the experimental test with the numerical analysis of the total strain and evaluated the agreement between the two methods used, the maximum discrepancywas 20%.

  3. High-temperature thermocline TES combining sensible and latent heat - CFD modeling and experimental validation

    Science.gov (United States)

    Zavattoni, Simone A.; Geissbühler, Lukas; Barbato, Maurizio C.; Zanganeh, Giw; Haselbacher, Andreas; Steinfeld, Aldo

    2017-06-01

    The concept of combined sensible/latent heat thermal energy storage (TES) has been exploited to mitigate an intrinsic thermocline TES systems drawback of heat transfer fluid outflow temperature reduction during discharging. In this study, the combined sensible/latent TES prototype under investigation is constituted by a packed bed of rocks and a small amount of encapsulated phase change material (AlSi12) as sensible heat and latent heat sections respectively. The thermo-fluid dynamics behavior of the combined TES prototype was analyzed by means of a computational fluid dynamics approach. Due to the small value of the characteristic vessel-to-particles diameter ratio, the effect of radial void-fraction variation, also known as channeling, was accounted for. Both the sensible and the latent heat sections of the storage were modeled as porous media under the assumption of local thermal non-equilibrium (LTNE). The commercial code ANSYS Fluent 15.0 was used to solve the model's constitutive conservation and transport equations obtaining a fairly good agreement with reference experimental measurements.

  4. Similarity Solution for Combined Free-Forced Convection Past a Vertical Porous Plate in a Porous Medium with a Convective Surface Boundary Condition

    Directory of Open Access Journals (Sweden)

    Garg P.

    2016-12-01

    Full Text Available This paper studies the mathematical implications of the two dimensional viscous steady laminar combined free-forced convective flow of an incompressible fluid over a semi infinite fixed vertical porous plate embedded in a porous medium. It is assumed that the left surface of the plate is heated by convection from a hot fluid which is at a temperature higher than the temperature of the fluid on the right surface of the vertical plate. To achieve numerical consistency for the problem under consideration, the governing non linear partial differential equations are first transformed into a system of ordinary differential equations using a similarity variable and then solved numerically under conditions admitting similarity solutions. The effects of the physical parameters of both the incompressible fluid and the vertical plate on the dimensionless velocity and temperature profiles are studied and analysed and the results are depicted both graphically and in a tabular form. Finally, algebraic expressions and the numerical values are obtained for the local skin-friction coefficient and the local Nusselt number.

  5. Similar Improvements in Patient-Reported Outcomes Among Rheumatoid Arthritis Patients Treated with Two Different Doses of Methotrexate in Combination with Adalimumab: Results From the MUSICA Trial.

    Science.gov (United States)

    Kaeley, Gurjit S; MacCarter, Daryl K; Goyal, Janak R; Liu, Shufang; Chen, Kun; Griffith, Jennifer; Kupper, Hartmut; Garg, Vishvas; Kalabic, Jasmina

    2018-06-01

    In patients with rheumatoid arthritis (RA), combination treatment with methotrexate (MTX) and adalimumab is more effective than MTX monotherapy. From the patients' perspective, the impact of reduced MTX doses upon initiating adalimumab is not known. The objective was to evaluate the effects of low and high MTX doses in combination with adalimumab initiation on patient-reported outcomes (PROs), in MTX-inadequate responders (MTX-IR) with moderate-to-severe RA. MUSICA was a randomized, double-blind, controlled trial evaluating the efficacy of 7.5 or 20 mg/week MTX, in combination with adalimumab for 24 weeks in MTX-IR RA patients receiving prior MTX ≥ 15 mg/week for ≥ 12 weeks. PROs were recorded at each visit, including physical function, health-related quality-of-life, work productivity, quality-of-sleep, satisfaction with treatment medication, sexual impairment due to RA, patient global assessment of disease activity (PGA), and patient pain. Last observation carried forward was used to account for missing values. At baseline, patients in both MTX dosage groups had similar demographics, disease characteristics, and PRO scores. Overall, initiation of adalimumab led to significant improvements from baseline in the PROs assessed for both MTX dosage groups. Improvements in presenteeism from baseline were strongly correlated with corresponding improvements in SF-36 (vitality), pain, and physical function. Physical and mental well-being had a good correlation with improvement in sleep. Overall, improvements in disease activity from baseline were correlated with improvements in several PROs. The addition of adalimumab to MTX in MTX-IR patients with moderate-to-severe RA led to improvements in physical function, quality-of-life, work productivity, quality of sleep, satisfaction with treatment medication, and sexual impairment due to RA, regardless of the concomitant MTX dosage. AbbVie. Clinicaltrials.gov identifier, NCT01185288.

  6. Experimental cystic echinococcosis therapy: In vitro and in vivo combined 5-fluorouracil/albendazole treatment.

    Science.gov (United States)

    Pensel, Patricia E; Elissondo, Natalia; Gambino, Guillermo; Gamboa, Gabriela Ullio; Benoit, J P; Elissondo, María C

    2017-10-15

    Human cystic echinococcosis is a zoonosis caused by the larval stage of the tapeworm Echinococcus granulosus sensu lato (s. l.). Although benzimidazole compounds such as albendazole (ABZ) and mebendazole have been the cornerstone of chemotherapy for the disease, there is often no complete recovery after treatment. Hence, new strategies are required to improve treatment of human cystic echinococcosis. The goals of the current study were as follows: (i) to evaluate the in vitro efficacy of the 5-fluorouracil (5-FU) and ABZ combination against E. granulosus s. l. protoscoleces and cysts, (ii) to compare the clinical efficacy of 5-FU alone or in combination with ABZ in infected mice. The combination of 5-FU+ABZ had a stronger in vitro effect against larval stage than that did both drugs alone. Even at the lowest concentration of 5-FU+ABZ combination (1μg/ml), the reduction of the viability of protoscoleces and cysts was greater than that observed with drugs alone at 10μg/ml. The results were confirmed at the ultrastructural level by scanning electron microscopy. These data helped to justify the in vivo investigations assessing the therapeutic potential of the combination of 5-FU and ABZ suspension in CF-1 mice infected with E. granulosus sensu stricto (s. s.) metacestodes. Treatment with 5-FU (10mg/kg) or 5-FU (10mg/kg) + ABZ suspension (5mg/kg) reduced the weight of cysts recovered from mice compared with control groups. Interestingly, the effect of 5-FU given weekly for 5 consecutive weeks was comparable to that observed with ABZ suspension under a daily schedule during 30days. Co-administration of 5-FU with ABZ did not enhance the in vivo efficacy of drugs alone calculated in relation to cysts weights. However, the combination provoked greater ultrastructural alterations compared to the monotherapy. In conclusion, we demonstrated the efficacy of 5-FU either alone or co-administrated with ABZ against murine experimental cystic echinococcosis. Since 5-FU treatments

  7. A combined experimental and FE analysis procedure to evaluate tensile behavior of zircaloy pressure tubes

    International Nuclear Information System (INIS)

    Samal, M.K.; Vaze, K.K.; Balakrishnan, K.S.; Anantharaman, S.

    2012-01-01

    Determination of transverse mechanical properties from the ring type of specimens directly machined from the nuclear reactor pressure tubes is not straightforward because of the presence of combined membrane as well as bending stresses arising in the loaded condition. In this work, we have performed ring-tensile tests on the un-irradiated ring tensile specimen using two split semi-cylindrical mandrels as the loading device. A 3-D finite element (FE) analysis was performed in order to determine the material true stress-strain curve by comparing experimental load-displacement data with those predicted by FE analysis. In order to validate the methodology, miniaturized tensile specimens were machined from these tubes and tested. It was observed that the stress-strain data as obtained from ring tensile specimen could describe the load displacement curve of the miniaturized flat tensile specimen very well. (author)

  8. An experimental study of thermal comfort at different combinations of air and mean radiant temperature

    DEFF Research Database (Denmark)

    Simone, Angela; Olesen, Bjarne W.

    2009-01-01

    It is often discussed if a person prefers a low air temperature (ta) and a high mean radiant temperature (tr), vice-versa or it does not matter as long as the operative temperature is acceptable. One of the hypotheses is that it does not matter for thermal comfort but for perceived air quality......, a lower air temperature is preferred. This paper presents an experimental study with 30 human subjects exposed to three different combinations of air- and mean radiant temperature with an operative temperature around 23 °C. The subjects gave subjective evaluations of thermal comfort and perceived air...... quality during the experiments. The PMV-index gave a good estimation of thermal sensation vote (TSV) when the air and mean radiant temperature were the same. In the environment with different air- and mean radiant temperatures, a thermal comfort evaluation shows an error up to 1 scale unit on the 7-point...

  9. Eigenspace-based minimum variance adaptive beamformer combined with delay multiply and sum: experimental study

    Science.gov (United States)

    Mozaffarzadeh, Moein; Mahloojifar, Ali; Nasiriavanaki, Mohammadreza; Orooji, Mahdi

    2018-02-01

    Delay and sum (DAS) is the most common beamforming algorithm in linear-array photoacoustic imaging (PAI) as a result of its simple implementation. However, it leads to a low resolution and high sidelobes. Delay multiply and sum (DMAS) was used to address the incapabilities of DAS, providing a higher image quality. However, the resolution improvement is not well enough compared to eigenspace-based minimum variance (EIBMV). In this paper, the EIBMV beamformer has been combined with DMAS algebra, called EIBMV-DMAS, using the expansion of DMAS algorithm. The proposed method is used as the reconstruction algorithm in linear-array PAI. EIBMV-DMAS is experimentally evaluated where the quantitative and qualitative results show that it outperforms DAS, DMAS and EIBMV. The proposed method degrades the sidelobes for about 365 %, 221 % and 40 %, compared to DAS, DMAS and EIBMV, respectively. Moreover, EIBMV-DMAS improves the SNR about 158 %, 63 % and 20 %, respectively.

  10. Surface and Subsurface Geodesy Combined with Active Borehole Experimentation for the Advanced Characterization of EGS Reservoirs

    Energy Technology Data Exchange (ETDEWEB)

    Elsworth, Derek [Pennsylvania State Univ., University Park, PA (United States); Im, Kyungjae [Pennsylvania State Univ., University Park, PA (United States); Guglielmi, Yves [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Mattioli, Glen [Univ. of Texas, Arlington, TX (United States). UNAVCO

    2016-11-14

    We explore the utility of combining active downhole experimentation with borehole and surface geodesy to determine both the characteristics and evolving state of EGS reservoirs during stimulation through production. The study is divided into two parts. We demonstrate the feasibility of determining in situ reservoir characteristics of reservoir size, strain and fracture permeability and their dependence on feedbacks of stress and temperature using surface and borehole geodetic measurements (Part I). We then define the opportunity to apply the unique hydraulic pulse protocol (HPP) borehole tool to evaluate reservoir state. This can be accomplished by monitoring and co-inverting measured reservoir characteristics (from the HPP tool) with surface geodetic measurements of deformation, tilt and strain with continuous measurements of borehole-wall strain (via optical fiber and fiber Bragg gratings) and measured flow rates (Part II).

  11. Insights into Glycol Ether-Alkanol Mixtures from a Combined Experimental and Theoretical Approach.

    Science.gov (United States)

    Alcalde, Rafael; Gutiérrez, Alberto; Atilhan, Mert; Trenzado, José Luis; Aparicio, Santiago

    2017-06-08

    The binary liquid mixtures of glycol ethers (glymes) + 1-alkanol were characterized from the microscopic and macroscopic viewpoints through a combined experimental and theoretical study. Structuring, dynamics, and intermolecular forces were determined using density functional theory and classical molecular dynamics methods. The macroscopic behavior was studied though the measurement of relevant physicochemical properties and Raman IR studies. The changes in intermolecular forces with mixture composition, temperature, and the effects from the types of glymes as well as 1-alkanols were considered. Hydrogen bonding in the mixed fluids, its changes upon mixing, and mixture composition showed a large effect on fluids' structure and determined most of the fluids' properties together with the presence of hydrophobic domains from long 1-alkanols.

  12. Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation

    KAUST Repository

    Silver, Scott; Yin, Jun; Li, Hong; Bredas, Jean-Luc; Kahn, Antoine

    2018-01-01

    This study presents a combined experimental and theoretical study of the electronic structure of two 2D metal halide perovskite films. Ultraviolet and inverse photoemission spectroscopies are performed on solution-processed thin films of the n = 1

  13. N-Heterocyclic Olefins as Initiators for the Polymerization of (Meth)Acrylic Monomers: A Combined Experimental and Theoretical Approach

    KAUST Repository

    Naumann, Stefan; Mundsinger, Kai; Cavallo, Luigi; Falivene, Laura

    2017-01-01

    . Scope and underlying (deactivation-)mechanisms where studied in a combined experimental and computational effort. From a range of differently structured NHOs it emerged that imidazole-, in contrast to imidazoline- and benzimidazole-derivatives, readily

  14. An experimental study on combined transcatheter hepatic arterial embolization and retrograde hepatic venous embolization

    International Nuclear Information System (INIS)

    Wang Maoqiang; Zhang Jinshan; Xing Zhanhai

    1997-01-01

    The experimental study is aimed at achieving the effect of hepatic tumor and tumor-bearing lobar or segmental resection by using combined transcatheter hepatic arterial embolization and retrograde hepatic venous embolization (THAE-RHVE) in experimental study. THAE-RHVE was carried out in 8 mongrel dogs. Hepatic arterial embolization was performed by injecting lipiodol followed by gelatin sponge particles, following complete occlusion of the hepatic vein with balloon catheter. Retrograde hepatic venous embolization (RHVE) was then performed by injecting a mixture of absolute ethanol and meglumini diatrizoatis (MD) via the inflated balloon catheter. Ethanol and MD were combined with a ratio of 1:1. RHVE alone was performed in 4 dogs as control. The animals were followed up for 1∼8 weeks with liver function test, CT, gross and microscopic examinations. There was no technical failure or procedural complications. Transient elevation of AST and ALT levels was seen immediately in both groups after the procedure. Follow-up CT after 3 weeks showed dense lipiodol accumulation in the embolized lobe or segment and the corresponding portal branches in the THAE-RHVE animals. At 1 week after THAE-RHVE, complete coagulation necrosis was seen at histologic examination in the embolized lobe. The hepatic vein and portal branches of the embolized area had thickened walls and were filled with thrombus. At 2 weeks, granulomatous tissue and inflammatory cell infiltration surrounding the necrotic area could be seen. At 4∼8 weeks, marked atrophy of the embolized lobe was found, and the necrotic area was progressively reducing in size and being replaced by fibrosis. In the control group, incomplete segmental coagulated necrosis was seen and the necrosis area wa smaller than that of THAE-REVE. Hepatic lobectomy or segmentectomy can be achieved with THAE-RHVE. This new method is safe and easy, and may be useful in the treatment of HCC

  15. Enthalpies of formation of dihydroxybenzenes revisited: Combining experimental and high-level ab initio data

    International Nuclear Information System (INIS)

    Gonçalves, Elsa M.; Agapito, Filipe; Almeida, Tânia S.; Martinho Simões, José A.

    2014-01-01

    Highlights: • Thermochemistry of hydroxyphenols probed by experimental and theoretical methods. • A new paradigm for obtaining enthalpies of formation of crystalline compounds. • High-level ab initio results for the thermochemistry of gas-phase hydroxyphenols. • Sublimation enthalpies of hydroxyphenols determined by Calvet microcalorimetry. - Abstract: Accurate values of standard molar enthalpies of formation in condensed phases can be obtained by combining high-level quantum chemistry calculations of gas-phase enthalpies of formation with experimentally determined enthalpies of sublimation or vapourization. The procedure is illustrated for catechol, resorcinol, and hydroquinone. Using W1-F12, the gas-phase enthalpies of formation of these compounds at T = 298.15 K were computed as (−270.6, −269.4, and −261.0) kJ · mol −1 , respectively, with an uncertainty of ∼0.4 kJ · mol −1 . Using well characterised solid samples, the enthalpies of sublimation were determined with a Calvet microcalorimeter, leading to the following values at T = 298.15 K: (88.3 ± 0.3) kJ · mol −1 , (99.7 ± 0.4) kJ · mol −1 , and (102.0 ± 0.9) kJ · mol −1 , respectively. It is shown that these results are consistent with the crystalline structures of the compounds

  16. Effects of Paricalcitol and Aliskiren Combination Therapy on Experimental Diabetic Nephropathy Model in Rats

    Directory of Open Access Journals (Sweden)

    Zehra Eren

    2014-12-01

    Full Text Available Background/Aims: The aim of the present study was to investigate the effect of combination of aliskiren with paricalcitol on experimental diabetic nephropathy (DN model in rats. Methods: Forty male Sprague Dawley rats were divided into 5 groups of 8 rats each, namely the control (Group C, diabetes (Group D, aliskiren (Group A, paricalcitol (Group P, and aliskiren plus paricalcitol (Group A+P groups. Aliskiren was given by oral-gavage at a dose of 50 mg/kg/day once daily for 12 weeks. Paricalcitol was given by intraperitoneally at a dose of 0,4 µg/kg/three day of week for 12 weeks. Renal function parameters, oxidative stress biomarkers, mRNA expression of renin-angiotensin system parameters and kidney histology were determined. Results: Group A+P had lower mean albümin-to-creatinine ratio (ACR (p=0.004 as well as higher creatinine clearance (CCr (pConclusion: Our data seem to suggest a potential role of aliskiren plus paricalcitol acting synergystically for reducing the progression of diabetic nephropathy in an experimental rat model.

  17. Combined theoretical and experimental analysis of processes determining cathode performance in solid oxide fuel cells.

    Science.gov (United States)

    Kuklja, M M; Kotomin, E A; Merkle, R; Mastrikov, Yu A; Maier, J

    2013-04-21

    Solid oxide fuel cells (SOFC) are under intensive investigation since the 1980's as these devices open the way for ecologically clean direct conversion of the chemical energy into electricity, avoiding the efficiency limitation by Carnot's cycle for thermochemical conversion. However, the practical development of SOFC faces a number of unresolved fundamental problems, in particular concerning the kinetics of the electrode reactions, especially oxygen reduction reaction. We review recent experimental and theoretical achievements in the current understanding of the cathode performance by exploring and comparing mostly three materials: (La,Sr)MnO3 (LSM), (La,Sr)(Co,Fe)O3 (LSCF) and (Ba,Sr)(Co,Fe)O3 (BSCF). Special attention is paid to a critical evaluation of advantages and disadvantages of BSCF, which shows the best cathode kinetics known so far for oxides. We demonstrate that it is the combined experimental and theoretical analysis of all major elementary steps of the oxygen reduction reaction which allows us to predict the rate determining steps for a given material under specific operational conditions and thus control and improve SOFC performance.

  18. The combined theoretical and experimental approach to arrive at optimum parameters in friction stir welding

    Science.gov (United States)

    Jagadeesha, C. B.

    2017-12-01

    Even though friction stir welding was invented long back (1991) by TWI England, till now there has no method or procedure or approach developed, which helps to obtain quickly optimum or exact parameters yielding good or sound weld. An approach has developed in which an equation has been derived, by which approximate rpm can be obtained and by setting range of rpm ±100 or 50 rpm over approximate rpm and by setting welding speed equal to 60 mm/min or 50 mm/min one can conduct FSW experiment to reach optimum parameters; one can reach quickly to optimum parameters, i.e. desired rpm, and welding speed, which yield sound weld by the approach. This approach can be effectively used to obtain sound welds for all similar and dissimilar combinations of materials such as Steel, Al, Mg, Ti, etc.

  19. Combined treatment with ribavirin and tiazofurin attenuates response of glial cells in experimental autoimmune encephalomyelitis

    Directory of Open Access Journals (Sweden)

    Nedeljković Nadežda

    2012-01-01

    Full Text Available Experimental autoimmune encephalomyelitis (EAE is an animal model of multiple sclerosis (MS, a human inflammatory and demyelinating disease. Microglia and astrocytes are glial cells of the central nervous system (CNS that play a dual role in MS and EAE pathology. The aim of this study was to examine the effect of combined treatment with two nucleoside analogues, ribavirin and tiazofurin, on microglia and astrocytes in actively induced EAE. Therapeutic treatment with a combination of these two nucleoside analogues reduced disease severity, mononuclear cell infiltration and demyelination. The obtained histological results indicate that ribavirin and tiazofurin changed activated microglia into an inactive type and attenuated astrocyte reactivity at the end of the treatment period. Since reduction of reactive microgliosis and astrogliosis correlated with EAE suppression, the present study also suggests that the obtained beneficial effect of ribavirin and tiazofurin could be a consequence of their action inside as well as outside the CNS. [Acknowledgments. This work was supported by the Serbian Ministry of Education and Science, Project No: III41014.

  20. Combined effects of γ-rays and acidification on an experimental model ecosystem

    International Nuclear Information System (INIS)

    Fuma, Shoichi; Ishii, Nobuyoshi; Takeda, Hiroshi; Kawabata, Zen'ichiro; Ichimasa, Yusuke

    2002-01-01

    It is necessary to evaluate combined effects of ionizing radiation and other toxic agents on ecosystems, because ecosystems are exposed to these various factors. The authors studied combined effects of γ-rays and acidification on an experimental model ecosystem (microcosm) mimicking aquatic microbial communities. Microcosms, consisted of flagellate algae Euglena gracilis Z as a producer, ciliate protozoa Tetrahymena thermophila B as a consumer and bacteria Escherichia coli DH5α as a decomposer, were loaded by the following treatments: Irradiation with 100 Gy 60 Co γ-rays; Acidification of culture medium to pH4.0 with the mixture of 0.1 N HNO 3 and 0.1 N H 2 SO 4 (1:1, v/v), which mimicked acid rain; and Irradiation with 100 Gy γ-rays followed by the acidification of the culture medium (pH 4.0). The γ-irradiation induced a temporary decrease in cell densities of E. coli, but did not affect cell densities of the other species. The concentrations of chlorophyll a and ATP in the microcosm were not affected by the γ-irradiation, and chlorophyll a concentrations in a Eu. gracilis cell were not affected, either. The acidification significantly decreased cell densities of T. thermophila, slightly decreased cell densities of E. coli, and slightly increased cell densities of Eu. gracilis. The concentrations of chlorophyll a and ATP in the microcosm were increased by the acidification, although chlorophyll a concentrations in a Eu. gracilis cell were decreased. The combined exposure to γ-rays and acids temporarily decreased cell densities of E. coli, significantly decreased cell densities of T. thermophila, and slightly increased cell densities of Eu. gracilis. The concentrations of chlorophyll a and ATP in the microcosm were increased by the combined exposure, although chlorophyll a concentrations in a Eu. gracilis cell were decreased. The authors therefore conclude that combined exposure to γ-rays and acids had additive effects on cell densities, chlorophyll a and

  1. Synergy of combined tPA-edaravone therapy in experimental thrombotic stroke.

    Science.gov (United States)

    Sun, Yu-Yo; Morozov, Yury M; Yang, Dianer; Li, Yikun; Dunn, R Scott; Rakic, Pasko; Chan, Pak H; Abe, Koji; Lindquist, Diana M; Kuan, Chia-Yi

    2014-01-01

    Edaravone, a potent antioxidant, may improve thrombolytic therapy because it benefits ischemic stroke patients on its own and mitigates adverse effects of tissue plasminogen activator (tPA) in preclinical models. However, whether the combined tPA-edaravone therapy is more effective in reducing infarct size than singular treatment is uncertain. Here we investigated this issue using a transient hypoxia-ischemia (tHI)-induced thrombotic stroke model, in which adult C57BL/6 mice were subjected to reversible ligation of the unilateral common carotid artery plus inhalation of 7.5% oxygen for 30 min. While unilateral occlusion of the common carotid artery suppressed cerebral blood flow transiently, the addition of hypoxia triggered reperfusion deficits, endogenous thrombosis, and attenuated tPA activity, leading up to infarction. We compared the outcomes of vehicle-controls, edaravone treatment, tPA treatment at 0.5, 1, or 4 h post-tHI, and combined tPA-edaravone therapies with mortality rate and infarct size as the primary end-points. The best treatment was further compared with vehicle-controls in behavioral, biochemical, and diffusion tensor imaging (DTI) analyses. We found that application of tPA at 0.5 or 1 h--but not at 4 h post-tHI--significantly decreased infarct size and showed synergistic (pedaravone treatment, respectively. The acute tPA-edaravone treatment conferred >50% reduction of mortality, ∼ 80% decline in infarct size, and strong white-matter protection. It also improved vascular reperfusion and decreased oxidative stress, inflammatory cytokines, and matrix metalloproteinase activities. In conclusion, edaravone synergizes with acute tPA treatment in experimental thrombotic stroke, suggesting that clinical application of the combined tPA-edaravone therapy merits investigation.

  2. Synergy of combined tPA-edaravone therapy in experimental thrombotic stroke.

    Directory of Open Access Journals (Sweden)

    Yu-Yo Sun

    Full Text Available Edaravone, a potent antioxidant, may improve thrombolytic therapy because it benefits ischemic stroke patients on its own and mitigates adverse effects of tissue plasminogen activator (tPA in preclinical models. However, whether the combined tPA-edaravone therapy is more effective in reducing infarct size than singular treatment is uncertain. Here we investigated this issue using a transient hypoxia-ischemia (tHI-induced thrombotic stroke model, in which adult C57BL/6 mice were subjected to reversible ligation of the unilateral common carotid artery plus inhalation of 7.5% oxygen for 30 min. While unilateral occlusion of the common carotid artery suppressed cerebral blood flow transiently, the addition of hypoxia triggered reperfusion deficits, endogenous thrombosis, and attenuated tPA activity, leading up to infarction. We compared the outcomes of vehicle-controls, edaravone treatment, tPA treatment at 0.5, 1, or 4 h post-tHI, and combined tPA-edaravone therapies with mortality rate and infarct size as the primary end-points. The best treatment was further compared with vehicle-controls in behavioral, biochemical, and diffusion tensor imaging (DTI analyses. We found that application of tPA at 0.5 or 1 h--but not at 4 h post-tHI--significantly decreased infarct size and showed synergistic (p50% reduction of mortality, ∼ 80% decline in infarct size, and strong white-matter protection. It also improved vascular reperfusion and decreased oxidative stress, inflammatory cytokines, and matrix metalloproteinase activities. In conclusion, edaravone synergizes with acute tPA treatment in experimental thrombotic stroke, suggesting that clinical application of the combined tPA-edaravone therapy merits investigation.

  3. A combined experimental and computational thermodynamic study of fluorene-9-methanol and fluorene-9-carboxylic acid

    International Nuclear Information System (INIS)

    Oliveira, Juliana A.S.A.; Calvinho, Maria M.; Notario, R.; Monte, Manuel J.S.; Ribeiro da Silva, Maria D.M.C.

    2013-01-01

    Highlights: • A thermodynamic study of two fluorene derivatives is presented. • Vapour pressures and energies of combustion were measured. • Enthalpy, entropy and Gibbs energy of sublimation were derived. • Enthalpy and Gibbs energy of formation in crystal and gas phases were calculated. • Gas phase enthalpy of formation was also estimated by quantum chemical calculations. -- Abstract: This work reports an experimental and computational thermodynamic study performed on two 9-fluorene derivatives: fluorene-9-methanol and fluorene-9-carboxylic acid. The standard (p o = 0.1 MPa) molar enthalpies of formation in the crystalline phase of these compounds were derived from the standard molar energies of combustion, in oxygen, at T = 298.15 K, measured by static bomb combustion calorimetry. A static method, based on a capacitance diaphragm gauge, and a Knudsen effusion method were used to perform the vapour pressure study of the referred compounds, yielding accurate determination of the standard molar enthalpies and entropies of sublimation and vaporisation. For fluorene-9-carboxylic acid, the enthalpy of sublimation was also determined using Calvet microcalorimetry. The enthalpy of fusion of both compounds was derived indirectly from vapour pressure results and directly from DSC experiments. Combining the thermodynamic parameters of the compounds studied, the standard Gibbs energy of formation in crystalline and gaseous phases were derived as well as the standard molar enthalpy of formation in the gaseous phase. A theoretical study at the G3 and G4 levels has been carried out, and the calculated enthalpies of formation have been compared with the experimental values

  4. An Experimental Evaluation of the Performance of Two Combination Pitot Pressure Probes

    Science.gov (United States)

    Arend, David J.; Saunders, John D.

    2009-01-01

    Experimental tests have been completed which recorded the ability of two combination steady state and high response time varying Pitot probe designs to accurately measure steady stagnation pressure at a single location in a flow field. Tests were conducted of double-barreled and coannular Prati probes in a 3.5 in. diameter free jet probe calibration facility from Mach 0.1 to 0.9. Geometric symmetry and pitch (-40 deg to 40 deg) and yaw (0 deg to 40 deg) angle actuation were used to fully evaluate the probes. These tests revealed that the double-barreled configuration induced error in its steady state measurement at zero incidence that increased consistently with jet Mach number to 1.1 percent at Mach 0.9. For all Mach numbers, the double-barreled probe nulled at a pitch angle of approximately 7.0 deg and provided inconsistent measurements when yawed. The double-barreled probe provided adequate measurements via both its steady state and high response tubes (within +/- 0.15 percent accuracy) over unacceptable ranges of biased pitch and inconsistent yaw angles which varied with Mach number. By comparison, the coannular probe provided accurate measurements (at zero incidence) for all jet Mach numbers as well as over a flow angularity range which varied from +/- 26.0 deg at Mach 0.3 deg to +/- 14.0 deg at Mach 0.9. Based on these results, the Prati probe is established as the preferred design. Further experimental tests are recommended to document the frequency response characteristics of the Prati probe.

  5. A combined experimental and computational study of the molecular interactions between anionic ibuprofen and water

    Energy Technology Data Exchange (ETDEWEB)

    Zapata-Escobar, Andy; Manrique-Moreno, Marcela; Guerra, Doris; Hadad, C. Z.; Restrepo, Albeiro, E-mail: albeiro@exactas.udea.edu.co [Instituto de Química, Universidad de Antioquia UdeA, Calle 70 No. 52–21, Medellín (Colombia)

    2014-05-14

    In this work, we report a detailed study of the microsolvation of anionic ibuprofen, Ibu{sup −}. Stochastic explorations of the configurational spaces for the interactions of Ibu{sup −} with up to three water molecules at the DFT level lead to very rich and complex potential energy surfaces. Our results suggest that instead of only one preponderant structure, a collection of isomers with very similar energies would have significant contributions to the properties of the solvated drug. One of these properties is the shift on the vibrational frequencies of the asymmetric stretching band of the carboxylate group in hydrated Ibu{sup −} with respect to the anhydrous drug, whose experimental values are nicely reproduced using the weighted contribution of the structures. We found at least three types of stabilizing interactions, including conventional CO {sub 2}{sup −}⋯H{sub 2}O, H{sub 2}O⋯H{sub 2}O charge assisted hydrogen bonds (HBs), and less common H{sub 2}O⋯H–C and H{sub 2}O⋯π interactions. Biological water molecules, those in direct contact with Ibu{sup −}, prefer to cluster around the carboxylate oxygen atoms via cyclic or bridged charge assisted hydrogen bonds. Many of those interactions are strongly affected by the formal carboxylate charge, resulting in “enhanced” HBs with increased strengths and degree of covalency. We found striking similarities between this case and the microsolvation of dymethylphosphate, which lead us to hypothesize that since microsolvation of phosphatidylcholine depends mainly on the formal charge of its ionic PO {sub 2}{sup −} group in the polar head, then microsolvation of anionic ibuprofen and interactions of water molecules with eukaryotic cell membranes are governed by the same types of physical interactions.

  6. Chlorination and dechlorination rates in a forest soil — A combined modelling and experimental approach

    Energy Technology Data Exchange (ETDEWEB)

    Montelius, Malin, E-mail: malin.montelius@liu.se [Department of Thematic Studies — Environmental Change, Linköping University, 581 83 Linköping (Sweden); Svensson, Teresia [Department of Thematic Studies — Environmental Change, Linköping University, 581 83 Linköping (Sweden); Lourino-Cabana, Beatriz [EDF, Laboratoire National d' Hydraulique et Environnement, 78401 Chatou (France); Thiry, Yves [Andra, Research and Development Division, Parc de la Croix Blanche, 1/7 rue Jean Monnet, 92298 Châtenay-Malabry Cedex (France); Bastviken, David [Department of Thematic Studies — Environmental Change, Linköping University, 581 83 Linköping (Sweden)

    2016-06-01

    Much of the total pool of chlorine (Cl) in soil consists of naturally produced organic chlorine (Cl{sub org}). The chlorination of bulk organic matter at substantial rates has been experimentally confirmed in various soil types. The subsequent fates of Cl{sub org} are important for ecosystem Cl cycling and residence times. As most previous research into dechlorination in soils has examined either single substances or specific groups of compounds, we lack information about overall bulk dechlorination rates. Here we assessed bulk organic matter chlorination and dechlorination rates in coniferous forest soil based on a radiotracer experiment conducted under various environmental conditions (additional water, labile organic matter, and ammonium nitrate). Experiment results were used to develop a model to estimate specific chlorination (i.e., fraction of Cl{sup −} transformed to Cl{sub org} per time unit) and specific dechlorination (i.e., fraction of Cl{sub org} transformed to Cl{sup −} per time unit) rates. The results indicate that chlorination and dechlorination occurred simultaneously under all tested environmental conditions. Specific chlorination rates ranged from 0.0005 to 0.01 d{sup −1} and were hampered by nitrogen fertilization but were otherwise similar among the treatments. Specific dechlorination rates were 0.01–0.03 d{sup −1} and were similar among all treatments. This study finds that soil Cl{sub org} levels result from a dynamic equilibrium between the chlorination and rapid dechlorination of some Cl{sub org} compounds, while another Cl{sub org} pool is dechlorinated more slowly. Altogether, this study demonstrates a highly active Cl cycling in soils. - Highlights: • Chlorination and dechlorination rates in soil were revealed by a radiotracer method. • Chlorination was hampered by nitrogen addition. • Both Cl{sup −} and many Cl{sub org} compounds are highly reactive in soils. • Some formed Cl{sub org} seem to be refractory.

  7. A combined experimental and computational study of the molecular interactions between anionic ibuprofen and water

    International Nuclear Information System (INIS)

    Zapata-Escobar, Andy; Manrique-Moreno, Marcela; Guerra, Doris; Hadad, C. Z.; Restrepo, Albeiro

    2014-01-01

    In this work, we report a detailed study of the microsolvation of anionic ibuprofen, Ibu − . Stochastic explorations of the configurational spaces for the interactions of Ibu − with up to three water molecules at the DFT level lead to very rich and complex potential energy surfaces. Our results suggest that instead of only one preponderant structure, a collection of isomers with very similar energies would have significant contributions to the properties of the solvated drug. One of these properties is the shift on the vibrational frequencies of the asymmetric stretching band of the carboxylate group in hydrated Ibu − with respect to the anhydrous drug, whose experimental values are nicely reproduced using the weighted contribution of the structures. We found at least three types of stabilizing interactions, including conventional CO 2 − ⋯H 2 O, H 2 O⋯H 2 O charge assisted hydrogen bonds (HBs), and less common H 2 O⋯H–C and H 2 O⋯π interactions. Biological water molecules, those in direct contact with Ibu − , prefer to cluster around the carboxylate oxygen atoms via cyclic or bridged charge assisted hydrogen bonds. Many of those interactions are strongly affected by the formal carboxylate charge, resulting in “enhanced” HBs with increased strengths and degree of covalency. We found striking similarities between this case and the microsolvation of dymethylphosphate, which lead us to hypothesize that since microsolvation of phosphatidylcholine depends mainly on the formal charge of its ionic PO 2 − group in the polar head, then microsolvation of anionic ibuprofen and interactions of water molecules with eukaryotic cell membranes are governed by the same types of physical interactions

  8. Towards Personalized Medicine: Leveraging Patient Similarity and Drug Similarity Analytics

    Science.gov (United States)

    Zhang, Ping; Wang, Fei; Hu, Jianying; Sorrentino, Robert

    2014-01-01

    The rapid adoption of electronic health records (EHR) provides a comprehensive source for exploratory and predictive analytic to support clinical decision-making. In this paper, we investigate how to utilize EHR to tailor treatments to individual patients based on their likelihood to respond to a therapy. We construct a heterogeneous graph which includes two domains (patients and drugs) and encodes three relationships (patient similarity, drug similarity, and patient-drug prior associations). We describe a novel approach for performing a label propagation procedure to spread the label information representing the effectiveness of different drugs for different patients over this heterogeneous graph. The proposed method has been applied on a real-world EHR dataset to help identify personalized treatments for hypercholesterolemia. The experimental results demonstrate the effectiveness of the approach and suggest that the combination of appropriate patient similarity and drug similarity analytics could lead to actionable insights for personalized medicine. Particularly, by leveraging drug similarity in combination with patient similarity, our method could perform well even on new or rarely used drugs for which there are few records of known past performance. PMID:25717413

  9. Electron Microscopic Changes of Rabbit Retina after Chromovitrectomy Using Combined Dyes (Experimental Study

    Directory of Open Access Journals (Sweden)

    B. M. Aznabaev

    2018-01-01

    Full Text Available Purpose: to evaluate on experimental model electron-microscopic changes of rabbit retina after staining of the posterior eye segmentwith combined dyes based on Trypan blue and Brilliant blue G for the assessment of their safety. Methods. The study was performed onChinchilla breed rabbits. Combined dyes based on Trypan blue and Brilliant blue were used: MembraneBlue-Dual (DORC, Netherlandsand “Staining solution for ophthalmic surgery” (JCS “Optimedservis”, Russia. Standard three-port vitrectomy technique was used. After vitreous removal dyes were injected in vitreous cavity and exposed for 10 seconds and then removed. The vitreous cavity was filled by a balanced salt solution. An electron-microscopic evaluation was performed on 5, 14 and 30 days after surgery. Eyes were enucleated in 20 minutes after animal was killed by air embolization. Intact eyes were used as a control, all samples were prepared in same сonditions. The damage of the retina architectonics and the presence of intracellular inclusions were evaluated. Results. The staged character of pathomorphological changes was revealed. On the 5th day moderate edema and hydropic dystrophy of neurons were registered. On the 14th day, there was no negative dynamics. On day 30, the signs of edema and dystrophy of neurons practically disappeared, which may indicate a fundamental reversibility of the registered changes. Conclusion. Investigated dyes for staining intraocular structures based on Trypan blue and Brilliant blue did not cause significant histomorphological changes and toxic effects on retinal cell structures. Detected electron microscopic changes were insignificant, had reversible character and could be mostly caused by a surgical injury.

  10. Thermodynamic properties of alkyl 1H-indole carboxylate derivatives: A combined experimental and computational study

    International Nuclear Information System (INIS)

    Carvalho, Tânia M.T.; Amaral, Luísa M.P.F.; Morais, Victor M.F.; Ribeiro da Silva, Maria D.M.C.

    2016-01-01

    Highlights: • Combustion of methyl 1H-indole-3-carboxylate and ethyl 1H-indole-2-carboxylate by static bomb calorimetry. • The Knudsen mass-loss effusion technique was used to measure the vapour pressures of compounds at different temperatures. • Enthalpies of sublimation of methyl 1H-indole-3-carboxylate and ethyl 1H-indole-2-carboxylate. • Gas-phase enthalpies of formation of methyl 1H-indole-3-carboxylate and ethyl 1H-indole-2-carboxylate have been derived. • Gas-phase enthalpies of formation estimated from G3(MP2) calculations. - Abstract: The standard (p"o = 0.1 MPa) molar enthalpies of formation, in the crystalline phase, of methyl 1H-indole-3-carboxylate and ethyl 1H-indole-2-carboxylate, at T = 298.15 K, were derived from measurements of the standard massic energies of combustion using a static bomb combustion calorimeter. The Knudsen effusion technique was used to measure the vapour pressures as a function of the temperature, which allowed determining the standard molar enthalpies of sublimation of these compounds. The standard (p"o = 0.1 MPa) molar enthalpies of formation, in the gaseous phase, at T = 298.15 K, were calculated by combining, for each compound, the standard molar enthalpy of formation, in the crystalline phase, and the standard molar enthalpy of sublimation, yielding −(207.6 ± 3.6) kJ·mol"−"1 and −(234.4 ± 2.4) kJ·mol"−"1, for methyl 1H-indole-3-carboxylate and ethyl 1H-indole-2-carboxylate, respectively. Quantum chemical studies were also conducted, in order to complement the experimental study. The gas-phase enthalpies of formation were estimated from high level ab initio molecular orbital calculations, at the G3(MP2) level, for the compounds studied experimentally, extending the study to the methyl 1H-indole-2-carboxylate and ethyl 1H-indole-3-carboxylate. The results obtained were compared with the experimental data and were also analysed in terms of structural enthalpic group contributions.

  11. Efficient Discovery of Novel Multicomponent Mixtures for Hydrogen Storage: A Combined Computational/Experimental Approach

    Energy Technology Data Exchange (ETDEWEB)

    Wolverton, Christopher [Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering; Ozolins, Vidvuds [Univ. of California, Los Angeles, CA (United States). Dept. of Materials Science and Engineering; Kung, Harold H. [Northwestern Univ., Evanston, IL (United States). Dept. of Chemical and Biological Engineering; Yang, Jun [Ford Scientific Research Lab., Dearborn, MI (United States); Hwang, Sonjong [California Inst. of Technology (CalTech), Pasadena, CA (United States). Dept. of Chemistry and Chemical Engineering; Shore, Sheldon [The Ohio State Univ., Columbus, OH (United States). Dept. of Chemistry and Biochemistry

    2016-11-28

    The objective of the proposed program is to discover novel mixed hydrides for hydrogen storage, which enable the DOE 2010 system-level goals. Our goal is to find a material that desorbs 8.5 wt.% H2 or more at temperatures below 85°C. The research program will combine first-principles calculations of reaction thermodynamics and kinetics with material and catalyst synthesis, testing, and characterization. We will combine materials from distinct categories (e.g., chemical and complex hydrides) to form novel multicomponent reactions. Systems to be studied include mixtures of complex hydrides and chemical hydrides [e.g. LiNH2+NH3BH3] and nitrogen-hydrogen based borohydrides [e.g. Al(BH4)3(NH3)3]. The 2010 and 2015 FreedomCAR/DOE targets for hydrogen storage systems are very challenging, and cannot be met with existing materials. The vast majority of the work to date has delineated materials into various classes, e.g., complex and metal hydrides, chemical hydrides, and sorbents. However, very recent studies indicate that mixtures of storage materials, particularly mixtures between various classes, hold promise to achieve technological attributes that materials within an individual class cannot reach. Our project involves a systematic, rational approach to designing novel multicomponent mixtures of materials with fast hydrogenation/dehydrogenation kinetics and favorable thermodynamics using a combination of state-of-the-art scientific computing and experimentation. We will use the accurate predictive power of first-principles modeling to understand the thermodynamic and microscopic kinetic processes involved in hydrogen release and uptake and to design new material/catalyst systems with improved properties. Detailed characterization and atomic-scale catalysis experiments will elucidate the effect of dopants and nanoscale catalysts in achieving fast kinetics and reversibility. And

  12. A review of combined experimental and computational procedures for assessing biopolymer structure-process-property relationships.

    Science.gov (United States)

    Gronau, Greta; Krishnaji, Sreevidhya T; Kinahan, Michelle E; Giesa, Tristan; Wong, Joyce Y; Kaplan, David L; Buehler, Markus J

    2012-11-01

    Tailored biomaterials with tunable functional properties are desirable for many applications ranging from drug delivery to regenerative medicine. To improve the predictability of biopolymer materials functionality, multiple design parameters need to be considered, along with appropriate models. In this article we review the state of the art of synthesis and processing related to the design of biopolymers, with an emphasis on the integration of bottom-up computational modeling in the design process. We consider three prominent examples of well-studied biopolymer materials - elastin, silk, and collagen - and assess their hierarchical structure, intriguing functional properties and categorize existing approaches to study these materials. We find that an integrated design approach in which both experiments and computational modeling are used has rarely been applied for these materials due to difficulties in relating insights gained on different length- and time-scales. In this context, multiscale engineering offers a powerful means to accelerate the biomaterials design process for the development of tailored materials that suit the needs posed by the various applications. The combined use of experimental and computational tools has a very broad applicability not only in the field of biopolymers, but can be exploited to tailor the properties of other polymers and composite materials in general. Copyright © 2012 Elsevier Ltd. All rights reserved.

  13. A review of combined experimental and computational procedures for assessing biopolymer structure–process–property relationships

    Science.gov (United States)

    Gronau, Greta; Krishnaji, Sreevidhya T.; Kinahan, Michelle E.; Giesa, Tristan; Wong, Joyce Y.; Kaplan, David L.; Buehler, Markus J.

    2013-01-01

    Tailored biomaterials with tunable functional properties are desirable for many applications ranging from drug delivery to regenerative medicine. To improve the predictability of biopolymer materials functionality, multiple design parameters need to be considered, along with appropriate models. In this article we review the state of the art of synthesis and processing related to the design of biopolymers, with an emphasis on the integration of bottom-up computational modeling in the design process. We consider three prominent examples of well-studied biopolymer materials – elastin, silk, and collagen – and assess their hierarchical structure, intriguing functional properties and categorize existing approaches to study these materials. We find that an integrated design approach in which both experiments and computational modeling are used has rarely been applied for these materials due to difficulties in relating insights gained on different length- and time-scales. In this context, multiscale engineering offers a powerful means to accelerate the biomaterials design process for the development of tailored materials that suit the needs posed by the various applications. The combined use of experimental and computational tools has a very broad applicability not only in the field of biopolymers, but can be exploited to tailor the properties of other polymers and composite materials in general. PMID:22938765

  14. Ultrasound assisted nucleation and growth characteristics of glycine polymorphs--a combined experimental and analytical approach.

    Science.gov (United States)

    Renuka Devi, K; Raja, A; Srinivasan, K

    2015-05-01

    For the first time, the effect of ultrasound in the diagnostic frequency range of 1-10 MHz on the nucleation and growth characteristics of glycine has been explored. The investigation employing the ultrasonic interferometer was carried out at a constant insonation time over a wide range of relative supersaturation from σ=-0.09 to 0.76 in the solution. Ultrasound promotes only α nucleation and completely inhibits both the β and γ nucleation in the system. The propagation of ultrasound assisted mass transport facilitates nucleation even at very low supersaturation levels in the solution. The presence of ultrasound exhibits a profound effect on nucleation and growth characteristics in terms of decrease in induction period, increase in nucleation rate and decrease in crystal size than its absence in the solution. With an increase in the frequency of ultrasound, a further decrease in induction period, increase in nucleation rate and decrease in the size of the crystal is noticed even at the same relative supersaturation levels. The increase in the nucleation rate explains the combined dominating effects of both the ultrasound frequency and the supersaturation in the solution. Analytically, the nucleation parameters of the nucleated polymorph have been deduced at different ultrasonic frequencies based on the classical nucleation theory and correlations with the experimental results have been obtained. Structural affirmation of the nucleated polymorph has been ascertained by powder X-ray diffraction. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. A New Combination Formula for Treatment of Fungal Keratitis: An Experimental Study

    Directory of Open Access Journals (Sweden)

    Hala Mohamed El-Mofty

    2014-01-01

    Full Text Available Objective. To formulate and evaluate slow release ketoconazole and ketorolac to treat fungal keratitis and associated inflammation. Methods. Experimental study with the following outcome measures. Pharmaceutical Evaluation. Mucoadhesive gels containing ketoconazole and ketorolac were used. Microbiological in vitro evaluation was performed using cup method. In vivo evaluation was performed on 24 rabbits divided into 2 groups, 12 rabbits each, group A (fast release formula; 6 times daily and group B (slow release formula; 3 times daily. Each group was divided into two subgroups (6 rabbits each. Both eyes of rabbits were inoculated with Candida albicans. The left eye of all rabbits received the combination formulae. The right eye for one subgroup received ketoconazole as control 1 while the other subgroup received placebo as control 2. Clinical follow-up was done and, finally, the corneas were used for microbiological and pathological evaluation. Results. Gels containing high polymer concentration showed both high viscosity and mucoadhesion properties with slower drug release. The infected eyes treated with slow release formula containing both drugs showed better curing of the cornea and pathologically less inflammation than eyes treated with fast release formula. Conclusion. Slow release formula containing ketoconazole and ketorolac showed higher activity than fast release formula against fungal keratitis and associated inflammation.

  16. Selenium passivation of GaAs(001): a combined experimental and theoretical study

    International Nuclear Information System (INIS)

    Gonzalez, C; Benito, I; Ortega, J; Jurczyszyn, L; Blanco, J M; Perez, R; Flores, F; Kampen, T U; Zahn, D R T; Braun, W

    2004-01-01

    The chemical and electronic properties of selenium passivated GaAs(001)-2 x 1 surfaces were investigated by a combination of theoretical calculations and core level photoemission experiments. An anion exchange results in gallium-selenide like layers showing a 2 x 1 reconstruction in low energy electron diffraction (LEED). The analysis of the different components in the core level spectra of As 3d, Ga 3d and Se 3d limits the number of possible structural models. The Se/GaAs(001)-2 x 1 reconstruction has been also analysed by means of DFT-LDA calculations and theoretical STM currents. In a first step, different geometries are considered and the most stable one, from the point of view of the thermodynamic potential, is determined. Then, STM currents and the corresponding surface corrugation are calculated and compared with the experimental evidence. We conclude that the Se/GaAs(001)-2 x 1 reconstruction has a single Se atom in the last crystal layer, bonded to two Ga atoms of the second layer, and another Se layer replacing the third As layer of the crystal. These surfaces may be considered as chemically stable because they withstand considerable exposure to air. In terms of electronic passivation, i.e. the removal of any surface band bending, the selenium modification is not successful. Band bending on n-type doped samples is reduced while band bending on the p-type doped samples is further increased

  17. Estimating temperature reactivity coefficients by experimental procedures combined with isothermal temperature coefficient measurements and dynamic identification

    International Nuclear Information System (INIS)

    Tsuji, Masashi; Aoki, Yukinori; Shimazu, Yoichiro; Yamasaki, Masatoshi; Hanayama, Yasushi

    2006-01-01

    A method to evaluate the moderator coefficient (MTC) and the Doppler coefficient through experimental procedures performed during reactor physics tests of PWR power plants is proposed. This method combines isothermal temperature coefficient (ITC) measurement experiments and reactor power transient experiments at low power conditions for dynamic identification. In the dynamic identification, either one of temperature coefficients can be determined in such a way that frequency response characteristics of the reactivity change observed by a digital reactivity meter is reproduced from measured data of neutron count rate and the average coolant temperature. The other unknown coefficient can also be determined by subtracting the coefficient obtained from the dynamic identification from ITC. As the proposed method can directly estimate the Doppler coefficient, the applicability of the conventional core design codes to predict the Doppler coefficient can be verified for new types of fuels such as mixed oxide fuels. The digital simulation study was carried out to show the feasibility of the proposed method. The numerical analysis showed that the MTC and the Doppler coefficient can be estimated accurately and even if there are uncertainties in the parameters of the reactor kinetics model, the accuracies of the estimated values are not seriously impaired. (author)

  18. Experimental study of brachial plexus and vessel compression: evaluation of combined central and peripheral electrodiagnostic approach.

    Science.gov (United States)

    Yang, Chaoqun; Xu, Jianguang; Chen, Jie; Li, Shulin; Cao, Yu; Zhu, Yi; Xu, Lei

    2017-08-01

    We sought to investigate the reliability of a new electrodiagnostic method for identifying Electrodiagnosis of Brachial Plexus & Vessel Compression Syndrome (BPVCS) in rats that involves the application of transcranial electrical stimulation motor evoked potentials (TES-MEPs) combined with peripheral nerve stimulation compound muscle action potentials (PNS-CMAPs). The latencies of the TES-MEP and PNS-CMAP were initially elongated in the 8-week group. The amplitudes of TES-MEP and PNS-CMAP were initially attenuated in the 16-week group. The isolateral amplitude ratio of the TES-MEP to the PNS-CMAP was apparently decreased, and spontaneous activities emerged at 16 weeks postoperatively. Superior and inferior trunk models of BPVCS were created in 72 male Sprague Dawley (SD) rats that were divided into six experimental groups. The latencies, amplitudes and isolateral amplitude ratios of the TES-MEPs and PNS-CMAPs were recorded at different postoperative intervals. Electrophysiological and histological examinations of the rats' compressed brachial plexus nerves were utilized to establish preliminary electrodiagnostic criteria for BPVCS.

  19. Interactions between cadmium and lead with acidic soils: Experimental evidence of similar adsorption patterns for a wide range of metal concentrations and the implications of metal migration

    International Nuclear Information System (INIS)

    Pokrovsky, O.S.; Probst, A.; Leviel, E.; Liao, B.

    2012-01-01

    Highlights: ► Adsorption experiments of Cd and Pb in acid soils (China, France). ► Large pH conditions and large range of metal concentrations were considered. ► Similar dependencies between metals concentration in solution and metal adsorbed on the surface were predicted using Langmuir and Freundlich equations and surface complexation model (SCM). ► No competition between Cd and Pb detected at pH 5. ► Metal adsorption capacity is two orders of magnitude higher than limit value for soil protection. - Abstract: The importance of high- and low-affinity surface sites for cadmium and lead adsorption in typical European and Asian soils was investigated. Adsorption experiments on surface and deep horizons of acidic brown (Vosges, France) and red loess soils (Hunan, China) were performed at 25 °C as a function of the pH (3.5–8) and a large range of metal concentrations in solution (10 −9 –10 −4 mol l −1 ). We studied the adsorption kinetics using a Cd 2+ -selective electrode and desorption experiments as a function of the solid/solution ratio and pH. At a constant solution pH, all samples exhibited similar maximal adsorption capacities (4.0 ± 0.5 μmol/g Cd and 20 ± 2 μmol/g Pb). A constant slope of adsorbed–dissolved concentration dependence was valid over 5 orders of magnitude of metal concentrations. Universal Langmuir and Freundlich equations and the SCM formalism described the adsorption isotherms and the pH-dependent adsorption edge over very broad ranges of metal concentrations, indicating no high- or low-affinity sites for metal binding at the soil surface under these experimental conditions. At pH 5, Cd and Pb did not compete, in accordance with the SCM. The metal adsorption ability exceeded the value for soil protection by two orders of magnitude, but only critical load guarantees soil protection since metal toxicity depends on metal availability.

  20. A combined experimental and mathematical approach for molecular-based optimization of irinotecan circadian delivery.

    Directory of Open Access Journals (Sweden)

    Annabelle Ballesta

    2011-09-01

    Full Text Available Circadian timing largely modifies efficacy and toxicity of many anticancer drugs. Recent findings suggest that optimal circadian delivery patterns depend on the patient genetic background. We present here a combined experimental and mathematical approach for the design of chronomodulated administration schedules tailored to the patient molecular profile. As a proof of concept we optimized exposure of Caco-2 colon cancer cells to irinotecan (CPT11, a cytotoxic drug approved for the treatment of colorectal cancer. CPT11 was bioactivated into SN38 and its efflux was mediated by ATP-Binding-Cassette (ABC transporters in Caco-2 cells. After cell synchronization with a serum shock defining Circadian Time (CT 0, circadian rhythms with a period of 26 h 50 (SD 63 min were observed in the mRNA expression of clock genes REV-ERBα, PER2, BMAL1, the drug target topoisomerase 1 (TOP1, the activation enzyme carboxylesterase 2 (CES2, the deactivation enzyme UDP-glucuronosyltransferase 1, polypeptide A1 (UGT1A1, and efflux transporters ABCB1, ABCC1, ABCC2 and ABCG2. DNA-bound TOP1 protein amount in presence of CPT11, a marker of the drug PD, also displayed circadian variations. A mathematical model of CPT11 molecular pharmacokinetics-pharmacodynamics (PK-PD was designed and fitted to experimental data. It predicted that CPT11 bioactivation was the main determinant of CPT11 PD circadian rhythm. We then adopted the therapeutics strategy of maximizing efficacy in non-synchronized cells, considered as cancer cells, under a constraint of maximum toxicity in synchronized cells, representing healthy ones. We considered exposure schemes in the form of an initial concentration of CPT11 given at a particular CT, over a duration ranging from 1 to 27 h. For any dose of CPT11, optimal exposure durations varied from 3h40 to 7h10. Optimal schemes started between CT2h10 and CT2h30, a time interval corresponding to 1h30 to 1h50 before the nadir of CPT11 bioactivation rhythm in

  1. Combined Heat Transfer in High-Porosity High-Temperature Fibrous Insulations: Theory and Experimental Validation

    Science.gov (United States)

    Daryabeigi, Kamran; Cunnington, George R.; Miller, Steve D.; Knutson, Jeffry R.

    2010-01-01

    Combined radiation and conduction heat transfer through various high-temperature, high-porosity, unbonded (loose) fibrous insulations was modeled based on first principles. The diffusion approximation was used for modeling the radiation component of heat transfer in the optically thick insulations. The relevant parameters needed for the heat transfer model were derived from experimental data. Semi-empirical formulations were used to model the solid conduction contribution of heat transfer in fibrous insulations with the relevant parameters inferred from thermal conductivity measurements at cryogenic temperatures in a vacuum. The specific extinction coefficient for radiation heat transfer was obtained from high-temperature steady-state thermal measurements with large temperature gradients maintained across the sample thickness in a vacuum. Standard gas conduction modeling was used in the heat transfer formulation. This heat transfer modeling methodology was applied to silica, two types of alumina, and a zirconia-based fibrous insulation, and to a variation of opacified fibrous insulation (OFI). OFI is a class of insulations manufactured by embedding efficient ceramic opacifiers in various unbonded fibrous insulations to significantly attenuate the radiation component of heat transfer. The heat transfer modeling methodology was validated by comparison with more rigorous analytical solutions and with standard thermal conductivity measurements. The validated heat transfer model is applicable to various densities of these high-porosity insulations as long as the fiber properties are the same (index of refraction, size distribution, orientation, and length). Furthermore, the heat transfer data for these insulations can be obtained at any static pressure in any working gas environment without the need to perform tests in various gases at various pressures.

  2. Experimental Study on Productivity Performance of Household Combined Thermal Power and Biogas System in Northwest China

    Directory of Open Access Journals (Sweden)

    Jian Kang

    2018-01-01

    Full Text Available Ample quantities of solar and local biomass energy are available in the rural regions of northwest China to satisfy the energy needs of farmers. In this work, low-temperature solar thermal collectors, photovoltaic solar power generators, and solar-powered thermostatic biogas digesters were combined to create a heat, electricity, and biogas cogeneration system and were experimentally studied through two buildings in a farming village in northwestern China. The results indicated that the floor heater had the best heating effect. And the fraction of the energy produced by the solar elements of the system was 60.3%. The photovoltaic power-generation system achieved photovoltaic (PV conversion efficiencies of 8.3% and 8.1% during the first and second season, respectively. The intrinsic power consumption of the system was 143.4 kW·h, and 115.7 kW·h of electrical power was generated by the system in each season. The average volume of biogas produced daily was approximately 1.0 m3. Even though the ambient temperature reached −25°C, the temperature of the biogas digester was maintained at 27°C ± 2 for thermostatic fermentation. After optimization, the energy-saving rate improved from 66.2% to 85.5%. The installation reduced CO2 emissions by approximately 27.03 t, and the static payback period was 3.1 yr. Therefore, the system is highly economical, energy efficient, and beneficial for the environment.

  3. Experimental Study on Productivity Performance of Household Combined Thermal Power and Biogas System in Northwest China

    Science.gov (United States)

    Zhen, Xiaofei; Osman, Yassir Idris Abdalla; Feng, Rong; Si, Zetian

    2018-01-01

    Ample quantities of solar and local biomass energy are available in the rural regions of northwest China to satisfy the energy needs of farmers. In this work, low-temperature solar thermal collectors, photovoltaic solar power generators, and solar-powered thermostatic biogas digesters were combined to create a heat, electricity, and biogas cogeneration system and were experimentally studied through two buildings in a farming village in northwestern China. The results indicated that the floor heater had the best heating effect. And the fraction of the energy produced by the solar elements of the system was 60.3%. The photovoltaic power-generation system achieved photovoltaic (PV) conversion efficiencies of 8.3% and 8.1% during the first and second season, respectively. The intrinsic power consumption of the system was 143.4 kW·h, and 115.7 kW·h of electrical power was generated by the system in each season. The average volume of biogas produced daily was approximately 1.0 m3. Even though the ambient temperature reached −25°C, the temperature of the biogas digester was maintained at 27°C ± 2 for thermostatic fermentation. After optimization, the energy-saving rate improved from 66.2% to 85.5%. The installation reduced CO2 emissions by approximately 27.03 t, and the static payback period was 3.1 yr. Therefore, the system is highly economical, energy efficient, and beneficial for the environment. PMID:29862289

  4. Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene

    Energy Technology Data Exchange (ETDEWEB)

    Palmer, Michael H., E-mail: m.h.palmer@ed.ac.uk; Ridley, Trevor [School of Chemistry, University of Edinburgh, Joseph Black Building, David Brewster Road, Edinburgh, Scotland EH9 3FJ (United Kingdom); Vrønning Hoffmann, Søren, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: Teng.Zhang@physics.uu.se, E-mail: biczysko@shu.edu.cn, E-mail: alberto.baiardi@sns.it, E-mail: kipeters@wsu.edu; Jones, Nykola C., E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: Teng.Zhang@physics.uu.se, E-mail: biczysko@shu.edu.cn, E-mail: alberto.baiardi@sns.it, E-mail: kipeters@wsu.edu [ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus C (Denmark); Coreno, Marcello, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: Teng.Zhang@physics.uu.se, E-mail: biczysko@shu.edu.cn, E-mail: alberto.baiardi@sns.it, E-mail: kipeters@wsu.edu [CNR-ISM, Basovizza Area Science Park, 1-34149 Trieste (Italy); De Simone, Monica, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: Teng.Zhang@physics.uu.se, E-mail: biczysko@shu.edu.cn, E-mail: alberto.baiardi@sns.it, E-mail: kipeters@wsu.edu [CNR-IOM Laboratorio TASC, Trieste (Italy); Grazioli, Cesare [CNR-IOM Laboratorio TASC, Trieste (Italy); Department of Chemical and Pharmaceutical Sciences, University of Trieste, Trieste (Italy); Zhang, Teng, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: Teng.Zhang@physics.uu.se, E-mail: biczysko@shu.edu.cn, E-mail: alberto.baiardi@sns.it, E-mail: kipeters@wsu.edu [Department of Physics and Astronomy, University of Uppsala, Uppsala (Sweden); and others

    2016-05-28

    New photoelectron spectra (PES) and ultra violet (UV) and vacuum UV (VUV) absorption spectra of fluorobenzene recorded at higher resolution than previously, have been combined with mass-resolved (2 + 1) and (3 + 1) resonance enhanced multiphoton ionization (REMPI) spectra; this has led to the identification of numerous Rydberg states. The PES have been compared with earlier mass-analyzed threshold ionization and photoinduced Rydberg ionization (PIRI) spectra to give an overall picture of the ionic state sequence. The analysis of these spectra using both equations of motion with coupled cluster singles and doubles (EOM-CCSD) configuration interaction and time dependent density functional theory (TDDFT) calculations have been combined with vibrational analysis of both the hot and cold bands of the spectra, in considerable detail. The results extend several earlier studies on the vibronic coupling leading to conical intersections between the X{sup 2}B{sub 1} and A{sup 2}A{sub 2} states, and a further trio (B, C, and D) of states. The conical intersection of the X and A states has been explicitly identified, and its structure and energetics evaluated. The energy sequence of the last group is only acceptable to the present study if given as B{sup 2}B{sub 2}

  5. Electron microscopic studies on experimental skin cancer after combination treatment with X-ray, hematoporphyrin oligomer and caffeine

    International Nuclear Information System (INIS)

    Ueda, Keiichi; Ishiguro, Kazumori; Takaishi, Kimiko; Hatcho, Masahiro; Nakagawa, Shigemori

    1992-01-01

    The effect of combination treatment with X-ray, hematoporphyrin oligomer (HpO) and caffeine (Caf) was compared electron microscopically with that of a single use of these treatments. In experimental skin cancer, ultrastructural changes of nuclei and cytoplasm of tumor cells after combination treatment with HpO, X-ray and Caf showed more remarkable changes than in single X-ray irradiation and in HpO and X-ray irradiation. It is concluded that the combination treatment of HpO, X-ray and Caf is useful to the skin cancers in clinical practice. (author)

  6. Electron microscopic studies on experimental skin cancer after combination treatment with X-ray, hematoporphyrin oligomer and caffeine

    Energy Technology Data Exchange (ETDEWEB)

    Ueda, Keiichi; Ishiguro, Kazumori; Takaishi, Kimiko; Hatcho, Masahiro; Nakagawa, Shigemori (Fukui Medical School, Matsuoka (Japan))

    1992-05-01

    The effect of combination treatment with X-ray, hematoporphyrin oligomer (HpO) and caffeine (Caf) was compared electron microscopically with that of a single use of these treatments. In experimental skin cancer, ultrastructural changes of nuclei and cytoplasm of tumor cells after combination treatment with HpO, X-ray and Caf showed more remarkable changes than in single X-ray irradiation and in HpO and X-ray irradiation. It is concluded that the combination treatment of HpO, X-ray and Caf is useful to the skin cancers in clinical practice. (author).

  7. Treatment of uncertainties in atmospheric chemical systems: A combined modeling and experimental approach

    Science.gov (United States)

    Pun, Betty Kong-Ling

    1998-12-01

    Uncertainty is endemic in modeling. This thesis is a two- phase program to understand the uncertainties in urban air pollution model predictions and in field data used to validate them. Part I demonstrates how to improve atmospheric models by analyzing the uncertainties in these models and using the results to guide new experimentation endeavors. Part II presents an experiment designed to characterize atmospheric fluctuations, which have significant implications towards the model validation process. A systematic study was undertaken to investigate the effects of uncertainties in the SAPRC mechanism for gas- phase chemistry in polluted atmospheres. The uncertainties of more than 500 parameters were compiled, including reaction rate constants, product coefficients, organic composition, and initial conditions. Uncertainty propagation using the Deterministic Equivalent Modeling Method (DEMM) revealed that the uncertainties in ozone predictions can be up to 45% based on these parametric uncertainties. The key parameters found to dominate the uncertainties of the predictions include photolysis rates of NO2, O3, and formaldehyde; the rate constant for nitric acid formation; and initial amounts of NOx and VOC. Similar uncertainty analysis procedures applied to two other mechanisms used in regional air quality models led to the conclusion that in the presence of parametric uncertainties, the mechanisms cannot be discriminated. Research efforts should focus on reducing parametric uncertainties in photolysis rates, reaction rate constants, and source terms. A new tunable diode laser (TDL) infrared spectrometer was designed and constructed to measure multiple pollutants simultaneously in the same ambient air parcels. The sensitivities of the one hertz measurements were 2 ppb for ozone, 1 ppb for NO, and 0.5 ppb for NO2. Meteorological data were also collected for wind, temperature, and UV intensity. The field data showed clear correlations between ozone, NO, and NO2 in the one

  8. Experimental investigation of cooling performance of a novel HVAC system combining natural ventilation with diffuse ceiling inlet and TABS

    DEFF Research Database (Denmark)

    Yu, Tao; Heiselberg, Per Kvols; Lei, Bo

    2015-01-01

    Highlights •An experimental investigation of cooling performance of a combined HVAC system is carried out. •Cooling performance of TABS with and without the influence of diffuse ceiling is analyzed. •Radiant and convective heat transfer coefficients of TABS cooling are studied. •Cooling components...

  9. Theoretical and experimental study on dynamic responses of piping systems with combined dampers

    International Nuclear Information System (INIS)

    Gershtein, M.; Fridman, Ya.; Perelmiter, A.

    1996-01-01

    Vibrations of pipelines transporting fluids, gases, and granular materials are excited by the air flow, internal pressure pulsation, or seismic ground motion. The susceptibility of oil and gas pipelines to seismic damage has been demonstrated in earthquakes everywhere around the world. Devices for above-ground pipelines and piping systems vibration suppression with combination of dry friction and viscous energy dissipation are developed by AVIBRA, Shear deformation of viscous-elastic material in these devices occurs prior to interfacial slip. The way to account this phenomenon is to model the damper as an elastic-viscous element in series with an ideal Coulomb dry friction element. The harmonic balance method was applied to obtain an equivalent viscous damping constant for a combined damper. Iteration process was used to predict a dynamic response of a piping system with combined dampers subjected to sinusoidal excitation. Every iteration step was based on ANSYS procedures. Time integration of systems with hysteretic friction models presents computational difficulties. Some examples of dynamic responses of piping systems were analyzed by a time integration procedure for finite-element models. Combined dry friction-viscous dissipation dampers were tested on a piping model under harmonic excitation. It was clarified that combined dampers are very effective to reduce dynamic response. The seismic response of the piping system with combined dampers was calculated using time history finite-element analysis. The excellent effectiveness of AVIBRA combined dampers for aseismic design and retrofitting of pipelines and piping systems was confirmed by the analysis

  10. In Vitro and In Vivo Efficacy of Amphotericin B Combined with Posaconazole against Experimental Disseminated Sporotrichosis.

    Science.gov (United States)

    Mario, Débora Nunes; Guarro, Josep; Santurio, Janio Morais; Alves, Sydney Hartz; Capilla, Javier

    2015-08-01

    We evaluated the combination of posaconazole with amphotericin B in vitro and in a murine model of systemic infections caused by Sporothrix brasiliensis and Sporothrix schenckii sensu stricto. In vitro data demonstrated a synergistic effect, and although posaconazole alone was effective against sporotrichosis, efficacy in terms of survival and burden reduction was increased with the combination. This combination might be an option against disseminated sporotrichosis, especially when itraconazole or amphotericin B at optimal doses are contraindicated. Copyright © 2015, American Society for Microbiology. All Rights Reserved.

  11. Orientations of nonlocal vibrational modes from combined experimental and theoretical sum frequency spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chase, Hilary M.; Chen, Shunli; Fu, Li; Upshur, Mary Alice; Rudshteyn, Benjamin; Thomson, Regan J.; Wang, Hong-Fei; Batista, Victor S.; Geiger, Franz M.

    2017-09-01

    Inferring molecular orientations from vibrational sum frequency generation (SFG) spectra is challenging in polarization combinations that result in low signal intensities, or when the local point group symmetry approximation fails. While combining experiments with density functional theory (DFT) could overcome this problem, the scope of the combined method has yet to be established. Here, we assess its feasibility of determining the distributions of molecular orientations for one monobasic ester, two epoxides and three alcohols at the vapor/fused silica interface. We find that molecular orientations of nonlocal vibrational modes cannot be determined using polarization-resolved SFG measurements alone.

  12. THE EFFECT OF CAROVERINE AND ITS COMBINATION WITH AMINOOXYACETIC ACID ON SURVIVAL TIME OF MICE WITH EXPERIMENTAL TETANUS

    Directory of Open Access Journals (Sweden)

    Indira Mujezinović

    2013-03-01

    Full Text Available Tetanus is a disease that occurs in humans and various animal species worldwide. Tetanus toxin, after binding itself to nerve structures in the spinal cord, blocking the release of inhibitory transmitors which results in predominance of excitatory transmitors, and this manifestes itself in skeletal muscle spasm. In theory, inhibition of excitatory transmission can try to antagonize a number of ways: by stimulating inhibitory transmission with application inhibitory transmitors, inhibition of excitatory transmission by application of antagonists of excitatory transmitors and combination of antagonists of excitatory transmitors. Bearing this in mind, we attempted to normalize the disorders by tetanus toxin with the use of caroverine, an antagonist of excitatory transmitors, alone and in combination with aminooxyacetic acid (substance that increases the level of GABA. Experiments were conducted on albino mice of both sexes, weight 20-25 g. The experimental tetanus was induced by application of tetanus toxin. The application of caroverine and combination with aminooxyacetic acid was carried out 24 hours after application of tetanus toxin, once per day, until the death. Caroverine, given alone in a dose of 1,2 mg/kg significantly prolonged the LD50 period of mice with experimental tetanus, so the obtained results can be said that its application only at this dose proved to be effective. The combination with aminooxyacetic acid was gave an insignificant extension of mice’s dying time with experimental tetanus in the trial, compared to the control group. Key words: tetanus, tetanus toxin, transmitors, caroverine, aminooxyacetic acid

  13. Combination use of lentinan with x-ray therapy in mouse experimental tumor system, (3)

    International Nuclear Information System (INIS)

    Shiio, Tsuyoshi; Ohishi, Kazuo; Niitsu, Iwayasu; Hayashibara, Hiromi; Tsuchiya, Yoshiharu; Yoshihama, Takashi; Moriyuki, Hirobumi

    1988-01-01

    Combination effect of lentinan with X-ray irradiation on the metastatic mouse tumors, L1210, KLN205 and Lewis lung carcinoma were studied. Combination use of lentinan with X-ray therapy prolonged the life of BDF 1 mice bearing L1210 leukemia in the suitable combination conditions. Combination effects of lentinan with X-ray therapy were also observed on the suppression of the growth of KLN205 squamus cell carcinoma and on the suppression of the metastasis of Lewis lung carcinoma. Especially, in the case that lentinan was administered before or after X-ray local irradiation in the pulmorary metastasis system of Lewis lung carcinoma, a marked suppressin of pulmonary metastasis was observed and 2 to 4 mice among 8 tested mice were tumor free. (author)

  14. A small-scale experimental reactor combined with a simulator for training purposes

    International Nuclear Information System (INIS)

    Destot, M.; Hagendorf, M.; Vanhumbeeck, D.; Lecocq-Bernard, J.

    1981-01-01

    The authors discuss how a small-scale reactor combined to a training simulator can be a valuable aid in all forms of training. They describe the CEN-based SILOETTE reactor in Grenoble and its combined simulator. They also take a look at prospects for the future of the system in the light of experience acquired with the ARIANE reactor and the trends for the development of simulators for training purposes [fr

  15. Combined computational and experimental study of Ar beam induced defect formation in graphite

    International Nuclear Information System (INIS)

    Pregler, Sharon K.; Hayakawa, Tetsuichiro; Yasumatsu, Hisato; Kondow, Tamotsu; Sinnott, Susan B.

    2007-01-01

    Irradiation of graphite, commonly used in nuclear power plants, is known to produce structural damage. Here, experimental and computational methods are used to study defect formation in graphite during Ar irradiation at incident energies of 50 eV. The experimental samples are analyzed with scanning tunneling microscopy to quantify the size distribution of the defects that form. The computational approach is classical molecular dynamic simulations that illustrate the mechanisms by which the defects are produced. The results indicate that defects in graphite grow in concentrated areas and are nucleated by the presence of existing defects

  16. Treatment schedule of combination using radiation and ACNU in the experimental brain tumors

    International Nuclear Information System (INIS)

    Kaneko, Sadao; Allen, N.J.; Clendenon, N.R.; Kartha, M.

    1983-01-01

    This study was undertaken to identify the combined effect of ACNU treatment and irradiation in a rat (CD Fisher) brain tumor model, which was produced by stereotaxic inoculation of F-98 or D-74 glioma clone cells. In the first series using F-98, the median survival time of the controls was 38 days. ACNU alone (7 mg/kg x 3) on Day 5, 6 and 7 following tumor cell inoculation resulted in 45 days, a single dose of irradiation alone (1,500 rads) on Day 8 produced 45 days and the combined treatment resulted in 58 days with a 28.9% increased life span (%ILS). In the second series using D-74, the median survival time of the control group was 20 days. ACNU alone (7 mg/kg x 3) showed no significant increase in survival time. A single dose of irradiation resulted in 23 days and the combined treatment in 26 days with 13.0%ILS. The third series assessed the schedule dependence of the combined treatment effects of ACNU and irradiation using D-74. The median survival time of the controls was 21 days. A single dose of ACNU (20 mg/kg) produced no significant increase. Irradiation alone (1,500 rads) on Day 8 resulted in 26 days. Combined treatment groups receiving ACNU 1 hour and 3 days prior to irradiation showed a significant increase (31 days with 19.2%ILS and 28.5 days with 9.6%ILS, respectively). However, survival times in the groups receiving ACNU 6 or 26 hours prior to irradiation, as well as 6 hours following irradiation, were not significantly longer than those in the group of irradiation alone. No significant difference in tumor size at the time of death was noted among any of the groups. Combined use of ACNU and irradiation may have a synergistic effect on the rat brain tumor model, and this effect depends on the combination schedule. (J.P.N.)

  17. A simple method for combining genetic mapping data from multiple crosses and experimental designs.

    Directory of Open Access Journals (Sweden)

    Jeremy L Peirce

    Full Text Available BACKGROUND: Over the past decade many linkage studies have defined chromosomal intervals containing polymorphisms that modulate a variety of traits. Many phenotypes are now associated with enough mapping data that meta-analysis could help refine locations of known QTLs and detect many novel QTLs. METHODOLOGY/PRINCIPAL FINDINGS: We describe a simple approach to combining QTL mapping results for multiple studies and demonstrate its utility using two hippocampus weight loci. Using data taken from two populations, a recombinant inbred strain set and an advanced intercross population we demonstrate considerable improvements in significance and resolution for both loci. 1-LOD support intervals were improved 51% for Hipp1a and 37% for Hipp9a. We first generate locus-wise permuted P-values for association with the phenotype from multiple maps, which can be done using a permutation method appropriate to each population. These results are then assigned to defined physical positions by interpolation between markers with known physical and genetic positions. We then use Fisher's combination test to combine position-by-position probabilities among experiments. Finally, we calculate genome-wide combined P-values by generating locus-specific P-values for each permuted map for each experiment. These permuted maps are then sampled with replacement and combined. The distribution of best locus-specific P-values for each combined map is the null distribution of genome-wide adjusted P-values. CONCLUSIONS/SIGNIFICANCE: Our approach is applicable to a wide variety of segregating and non-segregating mapping populations, facilitates rapid refinement of physical QTL position, is complementary to other QTL fine mapping methods, and provides an appropriate genome-wide criterion of significance for combined mapping results.

  18. Genetic consequences of the combined effect of ionizing radiation and copper vitriol on experimental Drosophila melanogaster populations

    International Nuclear Information System (INIS)

    Glushkova, I.V.; Anoshenko, I.P.; Malei, L.P.; Pechkovskaya, A.V.

    2004-01-01

    The paper studies the influence of the combined effect of gamma-irradiation (15 Gy/generation) and copper vitriol (1 mM concentration) on experimental Dr. melanogaster population with the help of the tests of morphogenetic variability and dominant lethal mutations (DLM). The frequency of morphogenetically changed phenotypes increased under the influence of mutagenic factors of diverse origin and their spectrum was practically unchanged. The DLM test has shown that irradiation and the combined effect of chemical and physical factors exerted a damaging effect, while Cu salt acted as sensitizer considerably intensifying radiation effect. (authors)

  19. Experimental investigation on NOx removal using pulsed dielectric barrier discharges in combination with catalysts

    NARCIS (Netherlands)

    Chirumamilla, V.R.; Hoeben, W.F.L.M.; Beckers, F.J.C.M.; Huiskamp, T.; Pemen, A.J.M.

    2015-01-01

    In this study, an experimental investigation of the removal of NOx has been carried out with a dielectric barrier discharge reactor filled with different catalytic materials. NOx removal efficiency and by-products formation were studied as a function of energy density using plasma catalytic

  20. Seizures triggered by food intake in antimuscarinic-treated fasted animals: evaluation of the experimental findings in terms of similarities to eating-triggered epilepsy.

    Science.gov (United States)

    Enginar, Nurhan; Nurten, Asiye

    2010-07-01

    Food intake triggers convulsions in fasted mice and rats treated with antimuscarinic drugs, scopolamine or atropine. Bearing some similarities in triggering factor and manifestations of the seizures in patients with eating-evoked epilepsy, seizures in fasted animals may provide insight into the mechanism(s) of this rare and partially controlled form of reflex epilepsy.

  1. Combination use of lentinan with x-ray therapy in mouse experimental tumor system, (2)

    International Nuclear Information System (INIS)

    Shiio, Tsuyoshi; Ohishi, Kazuo; Tsuchiya, Yoshiharu; Niitsu, Iwayasu; Hayashibara, Hiromi; Yoshihama, Takashi; Moriyuki, Hirobumi

    1988-01-01

    C3H/He mice transplanted syngeneic MM102 tumor subcutaneously in the footpad were used to study the timing of administration of lentinan when combined with local irradiation of X-ray. In combination with 1,000 rads irradiation, the administration of lentinan after X-ray was not effective. When lentinan was administered in combination with 2,000 to 3,000 rads irradiation, the growth of tumor was decreased significantly in comparison with the groups which received radiotherapy alone and those that received lentinan alone. The administration of lentinan before irradiation was effective at the same degree in the group that received lentinan after irradiation. Life prolongation effect was also observed in the group that received lentinan before and after irradiation, and 4 mice among 8 tested mice were survived at 70th day after tumor transplantation. (author)

  2. A combined experimental and computational investigation of excess molar enthalpies of (nitrobenzene + alkanol) mixtures

    International Nuclear Information System (INIS)

    Neyband, Razieh Sadat; Zarei, Hosseinali

    2015-01-01

    Highlights: • Excess molar enthalpies for the binary mixtures of nitrobenzene + alkanols mixtures were measured. • The infinite dilution excess partial molar enthalpies were calculated using the ab initio methods. • The PCM calculations were performed. • The computed excess partial molar enthalpies at infinite dilution were compared to experimental results. - Abstract: Excess molar enthalpies (H m E ) for the binary mixtures of {(nitrobenzene + ethanol), 1-propanol, 2-propanol, 1-butanol and 2-butanol} have been measured over the entire composition range at ambient pressure (81.5 kPa) and temperature 298 K using a Parr 1455 solution calorimeter. From the experimental results, the excess partial molar enthalpies (H i E ) and excess partial molar enthalpies at infinite dilution (H i E,∞ ) were calculated. The excess molar enthalpies (H m E ) are positive for all {nitrobenzene (1) + alkanol (2)} mixtures over the entire composition range. A state-of-the-art computational strategy for the evaluation of excess partial molar enthalpies at infinite dilution was followed at the M05-2X/6-311++G ∗∗ level of theory with the PCM model. The experimental excess partial molar enthalpies at infinite dilution have been compared to the computational data of the ab initio in liquid phase. Integrated experimental and computational results help to clarify the nature of the intermolecular interactions in {nitrobenzene (1) + alkanol (2)} mixtures. The experimental and computational work which was done in this study complements and extends the general research on the computation of excess partial molar enthalpy at infinite dilution of binary mixtures

  3. Secretome Analysis of Lipid-Induced Insulin Resistance in Skeletal Muscle Cells by a Combined Experimental and Bioinformatics Workflow

    DEFF Research Database (Denmark)

    Deshmukh, Atul S; Cox, Juergen; Jensen, Lars Juhl

    2015-01-01

    , in principle, allows an unbiased and comprehensive analysis of cellular secretomes; however, the distinction of bona fide secreted proteins from proteins released upon lysis of a small fraction of dying cells remains challenging. Here we applied highly sensitive MS and streamlined bioinformatics to analyze......-resistant conditions. Our study demonstrates an efficient combined experimental and bioinformatics workflow to identify putative secreted proteins from insulin-resistant skeletal muscle cells, which could easily be adapted to other cellular models....

  4. The mechanism for the rhodium-catalyzed decarbonylation of aldehydes: A combined experimental and theoretical study

    DEFF Research Database (Denmark)

    Fristrup, Peter; Kreis, Michael; Palmelund, Anders

    2008-01-01

    that similar mechanisms are operating. A DFT (B3LYP) study of the catalytic cycle indicated a rapid oxidative addition into the C(O)-H bond followed by a rate-limiting extrusion of CO and reductive elimination. The theoretical kinetic isotope effects based on this mechanism were in excellent agreement...

  5. Combination of hyperthermia and radiation in the treatment of experimental tumours in mice

    International Nuclear Information System (INIS)

    Jansen, W.

    1980-01-01

    The effects of hyperthermia as a single agent and in interaction with ionizing radiation are investigated on tumours in mice. The degree of enhancement of the radiation reaction by heat proved to be similar to that found for mouse skin. (Auth.)

  6. Combined experimental and computational modelling studies of the solubility of nickel in strontium titanate

    NARCIS (Netherlands)

    Beale, A.M.; Paul, M.; Sankar, G.; Oldman, R.J.; Catlow, R.A.; French, S.; Fowles, M.

    2009-01-01

    A combination of X-ray techniques and atomistic computational modelling has been used to study the solubility of Ni in SrTiO3 in relation to the application of this material for the catalytic partial oxidation of methane. The experiments have demonstrated that low temperature, hydrothermal synthesis

  7. [Effect of microneedle combined with Lauromacrogol on skin capillary network: experimental study].

    Science.gov (United States)

    Xu, Sida; Wei, Qiang; Fan, Youfen; Chen, Shihai; Liu, Qingfeng; Yin, Guoqiang; Liao, Mingde; Sun, Yu

    2014-11-01

    To explore the effect of microneedle combined with Lauromacrogol on skin capillary network. 24 male Leghone (1.5-2.0 kg in weight) were randomly divided into three groups as group A (microneedle combined with Lauromacrogol), B (microneedle combined with physiological saline) , and C(control). The cockscombs were treated. The specimens were taken on the 7th, 14th, 21th , and 28th day postoperatively. HE staining, immunohistochemical staining and special staining were performed for study of the number of capillary and collagen I/III , as well as elastic fibers. The color of cockscombs in group A became lightening after treatment. The number of capillary decreased as showing by HE staining. The collagen I and III in group B was significantly different from that in group A and C (P microneedle combined with Lauromacrogol could effectively reduce the capillary in cockscomb without any tissue fibrosis. Microneedle can stimulate the proliferation of elastic fiber, so as to improve the skin ageing process.

  8. Cohesive Laws and Progressive Damage Analysis of Composite Bonded Joints, a Combined Numerical/Experimental Approach

    Science.gov (United States)

    Girolamo, Donato; Davila, Carlos G.; Leone, Frank A.; Lin, Shih-Yung

    2015-01-01

    The results of an experimental/numerical campaign aimed to develop progressive damage analysis (PDA) tools for predicting the strength of a composite bonded joint under tensile loads are presented. The PDA is based on continuum damage mechanics (CDM) to account for intralaminar damage, and cohesive laws to account for interlaminar and adhesive damage. The adhesive response is characterized using standard fracture specimens and digital image correlation (DIC). The displacement fields measured by DIC are used to calculate the J-integrals, from which the associated cohesive laws of the structural adhesive can be derived. A finite element model of a sandwich conventional splice joint (CSJ) under tensile loads was developed. The simulations, in agreement with experimental tests, indicate that the model is capable of predicting the interactions of damage modes that lead to the failure of the joint.

  9. Electrocatalysis of borohydride oxidation: a review of density functional theory approach combined with experimental validation

    Science.gov (United States)

    Sison Escaño, Mary Clare; Lacdao Arevalo, Ryan; Gyenge, Elod; Kasai, Hideaki

    2014-09-01

    The electrocatalysis of borohydride oxidation is a complex, up-to-eight-electron transfer process, which is essential for development of efficient direct borohydride fuel cells. Here we review the progress achieved by density functional theory (DFT) calculations in explaining the adsorption of BH4- on various catalyst surfaces, with implications for electrocatalyst screening and selection. Wherever possible, we correlate the theoretical predictions with experimental findings, in order to validate the proposed models and to identify potential directions for further advancements.

  10. Recent Experimental Results Related to Ejector Mode Studies of Rocket-Based Combined Cycle (RBCC) Engines

    Science.gov (United States)

    Cramer, J. M.; Pal, S.; Marshall, W. M.; Santoro, R. J.

    2003-01-01

    Contents include the folloving: 1. Motivation. Support NASA's 3d generation launch vehicle technology program. RBCC is promising candidate for 3d generation propulsion system. 2. Approach. Focus on ejector mode p3erformance (Mach 0-3). Perform testing on established flowpath geometry. Use conventional propulsion measurement techniques. Use advanced optical diagnostic techniques to measure local combustion gas properties. 3. Objectives. Gain physical understanding of detailing mixing and combustion phenomena. Establish an experimental data set for CFD code development and validation.

  11. Electrochemical and Spectroscopic Study of Mononuclear Ruthenium Water Oxidation Catalysts: A Combined Experimental and Theoretical Investigation

    KAUST Repository

    de Ruiter, J. M.

    2016-09-20

    One of the key challenges in designing light-driven artificial photosynthesis devices is the optimization of the catalytic water oxidation process. For this optimization it is crucial to establish the catalytic mechanism and the intermediates of the catalytic cycle, yet a full description is often difficult to obtain using only experimental data. Here we consider a series of mononuclear ruthenium water oxidation catalysts of the form [Ru(cy)(L)(H2O)](2+) (cy = p-cymene, L = 2,2\\'-bipyridine and its derivatives). The proposed catalytic cycle and intermediates are examined using density functional theory (DFT), radiation chemistry, spectroscopic techniques, and electrochemistry to establish the water oxidation mechanism. The stability of the catalyst is investigated using online electrochemical mass spectrometry (OLEMS). The comparison between the calculated absorption spectra of the proposed intermediates with experimental spectra, as well as free energy calculations with electrochemical data, provides strong evidence for the proposed pathway: a water oxidation catalytic cycle involving four proton-coupled electron transfer (PCET) steps. The thermodynamic bottleneck is identified as the third PCET step, which involves O-O bond formation. The good agreement between the optical and thermodynamic data and DFT predictions further confirms the general applicability of this methodology as a powerful tool in the characterization of water oxidation catalysts and for the interpretation of experimental observables.

  12. Radiometric Normalization of Temporal Images Combining Automatic Detection of Pseudo-Invariant Features from the Distance and Similarity Spectral Measures, Density Scatterplot Analysis, and Robust Regression

    Directory of Open Access Journals (Sweden)

    Ana Paula Ferreira de Carvalho

    2013-05-01

    Full Text Available Radiometric precision is difficult to maintain in orbital images due to several factors (atmospheric conditions, Earth-sun distance, detector calibration, illumination, and viewing angles. These unwanted effects must be removed for radiometric consistency among temporal images, leaving only land-leaving radiances, for optimum change detection. A variety of relative radiometric correction techniques were developed for the correction or rectification of images, of the same area, through use of reference targets whose reflectance do not change significantly with time, i.e., pseudo-invariant features (PIFs. This paper proposes a new technique for radiometric normalization, which uses three sequential methods for an accurate PIFs selection: spectral measures of temporal data (spectral distance and similarity, density scatter plot analysis (ridge method, and robust regression. The spectral measures used are the spectral angle (Spectral Angle Mapper, SAM, spectral correlation (Spectral Correlation Mapper, SCM, and Euclidean distance. The spectral measures between the spectra at times t1 and t2 and are calculated for each pixel. After classification using threshold values, it is possible to define points with the same spectral behavior, including PIFs. The distance and similarity measures are complementary and can be calculated together. The ridge method uses a density plot generated from images acquired on different dates for the selection of PIFs. In a density plot, the invariant pixels, together, form a high-density ridge, while variant pixels (clouds and land cover changes are spread, having low density, facilitating its exclusion. Finally, the selected PIFs are subjected to a robust regression (M-estimate between pairs of temporal bands for the detection and elimination of outliers, and to obtain the optimal linear equation for a given set of target points. The robust regression is insensitive to outliers, i.e., observation that appears to deviate

  13. Combination Treatment of C16 Peptide and Angiopoietin-1 Alleviates Neuromyelitis Optica in an Experimental Model

    Directory of Open Access Journals (Sweden)

    Yuanyuan Zhang

    2018-01-01

    Full Text Available Neuromyelitis optica (NMO is an autoimmune inflammatory demyelinating disease that mainly affects the spinal cord and optic nerve, causing blindness and paralysis in some individuals. Moreover, NMO may cause secondary complement-dependent cytotoxicity (CDC, leading to oligodendrocyte and neuronal damage. In this study, a rodent NMO model, showing typical NMO pathogenesis, was induced with NMO-IgG from patient serum and human complement. We then tested whether the combination of C16, an αvβ3 integrin-binding peptide, and angiopoietin-1 (Ang1, a member of the endothelial growth factor family, could alleviate NMO in the model. Our results demonstrated that this combination therapy significantly decreased disease severity, inflammatory cell infiltration, secondary demyelination, and axonal loss, thus reducing neural death. In conclusion, our study suggests a possible treatment that can relieve progressive blindness and paralysis in an animal model of NMO through improvement of the inflammatory milieu.

  14. Eigenspace-Based Minimum Variance Adaptive Beamformer Combined with Delay Multiply and Sum: Experimental Study

    OpenAIRE

    Mozaffarzadeh, Moein; Mahloojifar, Ali; Nasiriavanaki, Mohammadreza; Orooji, Mahdi

    2017-01-01

    Delay and sum (DAS) is the most common beamforming algorithm in linear-array photoacoustic imaging (PAI) as a result of its simple implementation. However, it leads to a low resolution and high sidelobes. Delay multiply and sum (DMAS) was used to address the incapabilities of DAS, providing a higher image quality. However, the resolution improvement is not well enough compared to eigenspace-based minimum variance (EIBMV). In this paper, the EIBMV beamformer has been combined with DMAS algebra...

  15. Electrocatalysis of borohydride oxidation: a review of density functional theory approach combined with experimental validation

    International Nuclear Information System (INIS)

    Sison Escaño, Mary Clare; Arevalo, Ryan Lacdao; Kasai, Hideaki; Gyenge, Elod

    2014-01-01

    The electrocatalysis of borohydride oxidation is a complex, up-to-eight-electron transfer process, which is essential for development of efficient direct borohydride fuel cells. Here we review the progress achieved by density functional theory (DFT) calculations in explaining the adsorption of BH 4 − on various catalyst surfaces, with implications for electrocatalyst screening and selection. Wherever possible, we correlate the theoretical predictions with experimental findings, in order to validate the proposed models and to identify potential directions for further advancements. (topical review)

  16. Acquiring molecular interference functions of X-ray coherent scattering for breast tissues by combination of simulation and experimental methods

    International Nuclear Information System (INIS)

    Chaparian, A.; Oghabian, M. A.; Changizi, V.

    2009-01-01

    Recently, it has been indicated that X-ray coherent scatter from biological tissues can be used to access signature of tissue. Some scientists are interested in studying this effect to get early detection of breast cancer. Since experimental methods for optimization are time consuming and expensive, some scientists suggest using simulation. Monte Carlo codes are the best option for radiation simulation: however, one permanent defect with Monte Carlo codes has been the lack of a sufficient physical model for coherent (Rayleigh) scattering, including molecular interference effects. Materials and Methods: It was decided to obtain molecular interference functions of coherent X-ray scattering for normal breast tissues by combination of modeling and experimental methods. A Monte Carlo simulation program was written to simulate the angular distribution of scattered photons for the normal breast tissue samples. Moreover, experimental diffraction patterns of these tissues were measured by means of energy dispersive X-ray diffraction method. The simulation and experimental data were used to obtain a tabulation of molecular interference functions for breast tissues. Results: With this study a tabulation of molecular interference functions for normal breast tissues Was prepared to facilitate the simulation diffraction patterns of the tissues without any experimental. Conclusion: The method may lead to design new systems for early detection of breast cancer.

  17. Mechanism of Kinetically Controlled Capillary Condensation in Nanopores: A Combined Experimental and Monte Carlo Approach.

    Science.gov (United States)

    Hiratsuka, Tatsumasa; Tanaka, Hideki; Miyahara, Minoru T

    2017-01-24

    We find the rule of capillary condensation from the metastable state in nanoscale pores based on the transition state theory. The conventional thermodynamic theories cannot achieve it because the metastable capillary condensation inherently includes an activated process. We thus compute argon adsorption isotherms on cylindrical pore models and atomistic silica pore models mimicking the MCM-41 materials by the grand canonical Monte Carlo and the gauge cell Monte Carlo methods and evaluate the rate constant for the capillary condensation by the transition state theory. The results reveal that the rate drastically increases with a small increase in the chemical potential of the system, and the metastable capillary condensation occurs for any mesopores when the rate constant reaches a universal critical value. Furthermore, a careful comparison between experimental adsorption isotherms and the simulated ones on the atomistic silica pore models reveals that the rate constant of the real system also has a universal value. With this finding, we can successfully estimate the experimental capillary condensation pressure over a wide range of temperatures and pore sizes by simply applying the critical rate constant.

  18. High pressure structural behavior of YGa2: A combined experimental and theoretical study

    International Nuclear Information System (INIS)

    Sekar, M.; Shekar, N.V. Chandra; Babu, R.; Sahu, P. Ch.; Sinha, A.K.; Upadhyay, Anuj; Singh, M.N.; Babu, K. Ramesh; Appalakondaiah, S.; Vaitheeswaran, G.; Kanchana, V.

    2015-01-01

    High pressure structural stability studies were carried out on YGa 2 (AlB 2 type structure at NTP, space group P6/mmm) up to a pressure of ~35 GPa using both laboratory based rotating anode and synchrotron X-ray sources. An isostructural transition with reduced c/a ratio, was observed at ~6 GPa and above ~17.5 GPa, the compound transformed to orthorhombic structure. Bulk modulus B 0 for the parent and high pressure phases were estimated using Birch–Murnaghan and modified Birch–Murnaghan equation of state. Electronic structure calculations based on projector augmented wave method confirms the experimentally observed two high pressure structural transitions. The calculations also reveal that the ‘Ga’ networks remains as two dimensional in the high pressure isostructural phase, whereas the orthorhombic phase involves three dimensional networks of ‘Ga’ atoms interconnected by strong covalent bonds. - Graphical abstract: High pressure X-ray diffraction patterns of YGa 2 up to ~35 GPa shows an isostructural phase transition at ~5 GPa and transition to an orthorhombic structure ~14 GPa. - Highlights: • High pressure structural stability studies were carried out on YGa 2 up to 35 GPa. • An isostructural transition with reduced c/a ratio was observed above 6 GPa. • Above 17.5 GPa, the compound transformed to orthorhombic structure. • PAW based electronic structure calculations have been carried out. • Calculations confirm the experimentally observed structural transitions

  19. Combined calcitriol and menadione reduces experimental murine triple negative breast tumor.

    Science.gov (United States)

    Bohl, Luciana; Guizzardi, Solange; Rodríguez, Valeria; Hinrichsen, Lucila; Rozados, Viviana; Cremonezzi, David; Tolosa de Talamoni, Nori; Picotto, Gabriela

    2017-10-01

    Calcitriol (D) or 1,25(OH) 2 D 3 inhibits the growth of several tumor cells including breast cancer cells, by activating cell death pathways. Menadione (MEN), a glutathione-depleting compound, may be used to potentiate the antiproliferative actions of D on cancer cells. We have previously shown in vitro that MEN improved D-induced growth arrest on breast cancer cell lines, inducing oxidative stress and DNA damage via ROS generation. Treatment with MEN+D resulted more effective than D or MEN alone. To study the in vivo effect of calcitriol, MEN or their combination on the development of murine transplantable triple negative breast tumor M-406 in its syngeneic host. Tumor M-406 was inoculated s.c., and when tumors reached the desired size, animals were randomly assigned to one of four groups receiving daily i.p. injections of either sterile saline solution (controls, C), MEN, D, or both (MEN+D). Body weight and tumor volume were recorded three times a week. Serum calcium was determined before and at the end of the treatment, at which time tumor samples were obtained for histological examination. None of the drugs, alone or in combination, affected mice body weight in the period studied. The combined treatment reduced tumor growth rate (C vs. MEN+D, P<0.05) and the corresponding histological sections exhibited small remaining areas of viable tumor only in the periphery. A concomitant DNA fragmentation was observed in all treated groups and MEN potentiated the calcitriol effect on tumor growth. As previously observed in vitro, treatment with MEN and D delayed tumor growth in vivo more efficiently than the individual drugs, with evident signals of apoptosis induction. Our results propose an alternative protocol to treat triple negative breast cancer, using GSH depleting drugs together with calcitriol, which would allow lower doses of the steroid to maintain the antitumor effect while diminishing its adverse pharmacological effects. Copyright © 2017. Published by

  20. Changes in tumor oxygenation during a combined treatment with fractionated irradiation and hyperthermia: an experimental study.

    Science.gov (United States)

    Zywietz, F; Reeker, W; Kochs, E

    1997-01-01

    To determine the influence of adjuvant hyperthermia on the oxygenation status of fractionated irradiated tumors. Oxygen partial pressure (pO2) in rat rhabdomyosarcomas (R1H) was measured sequentially at weekly intervals during a fractionated irradiation with 60Co-gamma-rays (60 Gy/20f/4 weeks) in combination with local hyperthermia (8 f(HT) at 43 degrees C, 1 h/4 weeks). Tumors were heated twice weekly with a 2450 MHz microwave device at 43 degrees C, 1 h starting 10 min after irradiation. The pO2 measurements (pO2-histograph, Eppendorf, Germany) were performed in anesthetized animals during mechanical ventilation and in hemodynamic steady state. All tumor pO2 measurements were correlated to measurements of the arterial oxygen partial pressure (paO2) determined by a blood gas analyzer. The oxygenation status of R1H tumors decreased continuously from the start of the combined treatment, with increasing radiation dose and number of heat fractions. In untreated controls a median tumor pO2 of 23 +/- 2 mmHg (mean +/- SEM) was measured. Tumor pO2 decreased to 11 +/- 2 mmHg after 30 Gy + 4 HT (2 weeks), and to 6 +/- 2 mmHg after 60 Gy + 8HT (4 weeks). The increase in the frequency of pO2-values below 5 mmHg and the decrease in the range of the pO2 histograms [delta p(10/90)] further indicated that tumor hypoxia increased relatively rapidly from the start of combined treatment. After 60 Gy + 8HT 48 +/- 5% (mean +/- SEM) of the pO2-values recorded were below 5 mmHg. These findings suggest that adjuvant hyperthermia to radiotherapy induces greater changes in tumor oxygenation than radiation alone [cf. (39)]. This might be of importance for the temporary application of hyperthermia in the course of a conventional radiation treatment.

  1. In vivo experimental stroke and in vitro organ culture induce similar changes in vasoconstrictor receptors and intracellular calcium handling in rat cerebral arteries

    DEFF Research Database (Denmark)

    Povlsen, Gro Klitgaard; Waldsee, Roya; Ahnstedt, Hilda

    2012-01-01

    Cerebral arteries subjected to different types of experimental stroke upregulate their expression of certain G-protein-coupled vasoconstrictor receptors, a phenomenon that worsens the ischemic brain damage. Upregulation of contractile endothelin B (ET(B)) and 5-hydroxytryptamine 1B (5-HT(1B......)) receptors has been demonstrated after subarachnoid hemorrhage and global ischemic stroke, but the situation is less clear after focal ischemic stroke. Changes in smooth muscle calcium handling have been implicated in different vascular diseases but have not hitherto been investigated in cerebral arteries...... and extracellular sources, whereas 5-HT(1B) receptor-mediated contraction was solely dependent on extracellular calcium. Organ culture and stroke increased basal intracellular calcium levels in MCA smooth muscle cells and decreased the expression of inositol triphosphate receptor and transient receptor potential...

  2. Investigation on bonding defects in ITER first wall beryllium armour components by combining analytical and experimental methods

    Energy Technology Data Exchange (ETDEWEB)

    Pérez, Germán, E-mail: german.perez.pichel@gmail.com; Mitteau, Raphaël; Eaton, Russell; Raffray, René

    2015-12-15

    Highlights: • Bonding defects at the ITER first wall beryllium armour are studied. • Experimental and analytical methods are combined. • Models supporting test results interpretation are proposed. • Guidelines for new experimental protocols are suggested. • Contribution to the definition of defects acceptance criteria. - Abstract: The reliability of the plasma facing components (PFCs) is essential for the efficient plasma operation in a fusion machine. This concerns especially the bond between the armour tiles facing the plasma and the heat sink material (copper alloy). The different thermal expansions of the bonded materials cause a stress distribution in the bond, which peaks at the bond edge. Under cyclic heat flux and accounting for the possible presence of bonding defects, this stress could reach a level where the component might be jeopardised. Because of the complexity of describing realistically by analyses and models the stress evolution in the bond, “design by experiments” is the main procedure for defining and qualifying the armour joint. Most of the existing plasma operation know-how on actively cooled PFCs has been obtained with carbon composite armour tiles. In ITER, the tiles of the first wall are made out of beryllium, which means that the know-how is progressively adapted to this specific bimetallic pair. Nonetheless, analyses are still performed for supporting the R&D experimental programme. This paper: explores methods for combining experimental results with finite element and statistical analyses; benchmarks test results; proposes hypothesis and rationales consistent with test results interpretations; suggests guidelines for defining possible further experimental protocols; and contributes to the definition of defects acceptance criteria.

  3. Investigation on bonding defects in ITER first wall beryllium armour components by combining analytical and experimental methods

    International Nuclear Information System (INIS)

    Pérez, Germán; Mitteau, Raphaël; Eaton, Russell; Raffray, René

    2015-01-01

    Highlights: • Bonding defects at the ITER first wall beryllium armour are studied. • Experimental and analytical methods are combined. • Models supporting test results interpretation are proposed. • Guidelines for new experimental protocols are suggested. • Contribution to the definition of defects acceptance criteria. - Abstract: The reliability of the plasma facing components (PFCs) is essential for the efficient plasma operation in a fusion machine. This concerns especially the bond between the armour tiles facing the plasma and the heat sink material (copper alloy). The different thermal expansions of the bonded materials cause a stress distribution in the bond, which peaks at the bond edge. Under cyclic heat flux and accounting for the possible presence of bonding defects, this stress could reach a level where the component might be jeopardised. Because of the complexity of describing realistically by analyses and models the stress evolution in the bond, “design by experiments” is the main procedure for defining and qualifying the armour joint. Most of the existing plasma operation know-how on actively cooled PFCs has been obtained with carbon composite armour tiles. In ITER, the tiles of the first wall are made out of beryllium, which means that the know-how is progressively adapted to this specific bimetallic pair. Nonetheless, analyses are still performed for supporting the R&D experimental programme. This paper: explores methods for combining experimental results with finite element and statistical analyses; benchmarks test results; proposes hypothesis and rationales consistent with test results interpretations; suggests guidelines for defining possible further experimental protocols; and contributes to the definition of defects acceptance criteria.

  4. Treatment for infections complications of experimental acute radiation sickness with sulacillin, a combined antibiotic

    International Nuclear Information System (INIS)

    Chertkov, K.S.; Revskaya, E.A.

    1999-01-01

    The therapeutic efficiency of sulacillin (combination of ampicillin antibiotic with beta-lactamase sulbactam inhibitor) used for prevention and treatment of infections complications of the acute radiation disease (ARD) is considered. It is shown that sulacillin antiinfections effect essentially exceeds the activity of ampicillin by treatment of irradiated mice infected with a beta-lactamase-producing strain of Kl pneumoniae. Inclusion of the sulacillin as a principal antibiotic into the ARD therapeutic scheme provides for the 66.6 % survival of dogs at LD 90/45 [ru

  5. Combination use of lentinan with x-ray therapy in mouse experimental tumor system, (1)

    International Nuclear Information System (INIS)

    Shiio, Tsuyoshi; Tsuchiya, Yoshiharu; Ohishi, Kazuo; Yoshihama, Takashi

    1988-01-01

    Apparent reduction of leukocyte counts was observed in mice irradiated with 1,500 ∼ 3,000 rads of X-ray on the left hind leg. This reduction of leukocyto counts was completely protected by the pre-treatment with lentinan before X-ray irradiation. Suppressive effect of X-ray on the antitumor function of lentinan seems to be weak. When treatment with X-ray irradiation and lentinan was applied for mice bearing solid type sarcoma 180, additive effect was obtained by the combination of lentinan before or after X-ray irradiation. (author)

  6. Experimental Bothrops atrox envenomation: Efficacy of antivenom therapy and the combination of Bothrops antivenom with dexamethasone.

    Directory of Open Access Journals (Sweden)

    Gabriella Neves Leal Santos Barreto

    2017-03-01

    Full Text Available Bothrops atrox snakes are the leading cause of snake bites in Northern Brazil. The venom of this snake is not included in the antigen pool used to obtain the Bothrops antivenom. There are discrepancies in reports on the effectiveness of this antivenom to treat victims bitten by B. atrox snakes. However, these studies were performed using a pre-incubation of the venom with the antivenom and, thus, did not simulate a true case of envenomation treatment. In addition, the local lesions induced by Bothrops venoms are not well resolved by antivenom therapy. Here, we investigated the efficacy of the Bothrops antivenom in treating the signs and symptoms caused by B. atrox venom in mice and evaluated whether the combination of dexamethasone and antivenom therapy enhanced the healing of local lesions induced by this envenomation. In animals that were administered the antivenom 10 minutes after the envenomation, we observed an important reduction of edema, dermonecrosis, and myonecrosis. When the antivenom was given 45 minutes after the envenomation, the edema and myonecrosis were reduced, and the fibrinogen levels and platelet counts were restored. The groups treated with the combination of antivenom and dexamethasone had an enhanced decrease in edema and a faster recovery of the damaged skeletal muscle. Our results show that Bothrops antivenom effectively treats the envenomation caused by Bothrops atrox and that the use of dexamethasone as an adjunct to the antivenom therapy could be useful to improve the treatment of local symptoms observed in envenomation caused by Bothrops snakes.

  7. Vancomycin-Rifampin Combination Therapy Has Enhanced Efficacy against an Experimental Staphylococcus aureus Prosthetic Joint Infection

    Science.gov (United States)

    Niska, Jared A.; Shahbazian, Jonathan H.; Ramos, Romela Irene; Francis, Kevin P.; Bernthal, Nicholas M.

    2013-01-01

    Treatment of prosthetic joint infections often involves a two-stage exchange, with implant removal and antibiotic spacer placement followed by systemic antibiotic therapy and delayed reimplantation. However, if antibiotic therapy can be improved, one-stage exchange or implant retention may be more feasible, thereby decreasing morbidity and preserving function. In this study, a mouse model of prosthetic joint infection was used in which Staphylococcus aureus was inoculated into a knee joint containing a surgically placed metallic implant extending from the femur. This model was used to evaluate whether combination therapy of vancomycin plus rifampin has increased efficacy compared with vancomycin alone against these infections. On postoperative day 7, vancomycin with or without rifampin was administered for 6 weeks with implant retention. In vivo bioluminescence imaging, ex vivo CFU enumeration, X-ray imaging, and histologic analysis were carried out. We found that there was a marked therapeutic benefit when vancomycin was combined with rifampin compared with vancomycin alone. Taken together, our results suggest that the mouse model used could serve as a valuable in vivo preclinical model system to evaluate and compare efficacies of antibiotics and combinatory therapy for prosthetic joint infections before more extensive studies are carried out in human subjects. PMID:23917317

  8. Band-Gap Engineering in ZnO Thin Films: A Combined Experimental and Theoretical Study

    Science.gov (United States)

    Pawar, Vani; Jha, Pardeep K.; Panda, S. K.; Jha, Priyanka A.; Singh, Prabhakar

    2018-05-01

    Zinc oxide thin films are synthesized and characterized using x-ray diffraction, field-emission scanning electron microscopy, atomic force microscopy, and optical spectroscopy. Our results reveal that the structural, morphological, and optical properties are closely related to the stress of the sample provided that the texture of the film remains the same. The anomalous results are obtained once the texture is altered to a different orientation. We support this experimental observation by carrying out first-principles hybrid functional calculations for two different orientations of the sample and show that the effect of quantum confinement is much stronger for the (100) surface than the (001) surface of ZnO. Furthermore, our calculations provide a route to enhance the band gap of ZnO by more than 50% compared to the bulk band gap, opening up possibilities for wide-range industrial applications.

  9. Improving Wind Turbine Drivetrain Reliability Using a Combined Experimental, Computational, and Analytical Approach

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Y.; van Dam, J.; Bergua, R.; Jove, J.; Campbell, J.

    2015-03-01

    Nontorque loads induced by the wind turbine rotor overhang weight and aerodynamic forces can greatly affect drivetrain loads and responses. If not addressed properly, these loads can result in a decrease in gearbox component life. This work uses analytical modeling, computational modeling, and experimental data to evaluate a unique drivetrain design that minimizes the effects of nontorque loads on gearbox reliability: the Pure Torque(R) drivetrain developed by Alstom. The drivetrain has a hub-support configuration that transmits nontorque loads directly into the tower rather than through the gearbox as in other design approaches. An analytical model of Alstom's Pure Torque drivetrain provides insight into the relationships among turbine component weights, aerodynamic forces, and the resulting drivetrain loads. Main shaft bending loads are orders of magnitude lower than the rated torque and are hardly affected by wind conditions and turbine operations.

  10. High pressure in solid state chemistry: Combined experimental and modeling approaches for assessing and predicting properties

    Science.gov (United States)

    Etourneau, Jean; Matar, Samir F.

    2018-06-01

    The thermodynamic pressure parameter has been thoroughly used with mastership by Gérard Demazeau throughout his rich career in solid state chemistry and materials sciences and more recently in biosciences. After a review of such works, focus is made in this topical article on his contribution together with his team in the field of hard materials based on light elements B, C, N with a proposition of a new ultra-hard carbon nitride C2N on one hand and on the structural transformations under high pressures of perovskite into postperovskite with a change of dimensionality from 3D to 2D and related oxides, regarding the arrangement of octahedra, on the other hand. Investigation and concepts first arising from experimental observables are shown to be aided and accelerated via first principles calculations of energy and energy-related quantities.

  11. Effectiveness of two-dimensional CFD simulations for Darrieus VAWTs: a combined numerical and experimental assessment

    International Nuclear Information System (INIS)

    Bianchini, Alessandro; Balduzzi, Francesco; Bachant, Peter; Ferrara, Giovanni; Ferrari, Lorenzo

    2017-01-01

    Highlights: • 2D CFD simulations compared to experimental tow-tank data on the RVAT test model. • The use of CFD with open-field-like boundaries is suggested. • A reliable estimation of the turbine performance and the wake structure is obtained. • The transitional turbulence model is recommended for low TSRs and/or small rotors. • The wake analysis identified the main vortical structures generated by the blades. - Abstract: Thanks to the continuous improvement of calculation resources, computational fluid dynamics (CFD) is expected to provide in the next few years a cost-effective and accurate tool to improve the understanding of the unsteady aerodynamics of Darrieus wind turbines. This rotor type is in fact increasingly welcome by the wind energy community, especially in case of small size applications and/or non-conventional installation sites. In the present study, unique tow tank experimental data on the performance curve and the near-wake structure of a Darrieus rotor were used as a benchmark to validate the effectiveness of different CFD approaches. In particular, a dedicated analysis is provided to assess the suitability, the effectiveness and the future prospects of simplified two-dimensional (2D) simulations. The correct definition of the computational domain, the selection of the turbulence models and the correction of simulated data for the parasitic torque components are discussed in this study. Results clearly show that, (only) if properly set, two-dimensional CFD simulations are able to provide - with a reasonable computational cost - an accurate estimation of the turbine performance and also quite reliably describe the attended flow-field around the rotor and its wake.

  12. Combined experimental and numerical evaluation of a prototype nano-PCM enhanced wallboard

    International Nuclear Information System (INIS)

    Biswas, Kaushik; Lu, Jue; Soroushian, Parviz; Shrestha, Som

    2014-01-01

    Highlights: • Field-testing of a nano-PCM wallboard under varying weather conditions. • Numerical model validation and annual simulations of PCM wallboard performance. • Reduced cooling electricity consumption results from PCM wallboard. • PCM wallboard reduces peak cooling loads with implications on power plant capacity. • PCM performance was sensitive to building temperature set point for cooling. - Abstract: In the United States, forty-eight (48) percent of the residential end-use energy consumption is spent on space heating and air conditioning. Reducing envelope-generated heating and cooling loads through application of phase change materials (PCMs) in building envelopes can enhance the energy efficiency of buildings and reduce energy consumption. Experimental testing and numerical modeling of PCM-enhanced envelope components are two important aspects of the evaluation of their energy benefits. An innovative phase change material (nano-PCM) was developed with PCM supported by expanded graphite (interconnected) nanosheets, which are highly conductive and allow enhanced thermal storage and energy distribution. The nano-PCM is shape-stable for convenient incorporation into lightweight building components. A wall with cellulose cavity insulation and a prototype PCM-enhanced interior wallboard was built and tested in a natural exposure test (NET) facility in a hot-humid climate location. The test wall contained the PCM wallboard and a regular gypsum wallboard, for a side-by-side annual comparison study. Further, numerical modeling of the wall containing the nano-PCM wallboard was performed to determine its actual impact on wall-generated heating and cooling loads. The model was first validated using experimental data, and then used for annual simulations using typical meteorological year (TMY3) weather data. This article presents the measured performance and numerical analysis evaluating the energy-saving potential of the nano-PCM-enhanced wallboard

  13. Hydrogen Adsorption on Ga2O3 Surface: A Combined Experimental and Computational Study

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Yun-xiang; Mei, Donghai; Liu, Chang-jun; Ge, Qingfeng

    2011-05-03

    In the present work, hydrogen adsorption on the Ga2O3 surfaces was investigated using Fourier transform infrared spectroscopy (FTIR) measurements and periodic density functional theory (DFT) calculations. Both the FTIR and DFT studies suggest that H2 dissociates on the Ga2O3 surfaces, producing OH and GaH species. The FTIR bands at 3730, 3700, 3630 and 3600 cm-1 are attributed to the vibration of the OH species whereas those at 2070 and 1990 cm-1 to the GaH species. The structures of the species detected in experiments are established through a comparison with the DFT calculated stretching frequencies. The O atom of the experimentally detected OH species is believed to originate from the surface O3c atom. On the other hand, the H atom that binds the coordinately unsaturated Ga atom results in the experimentally detected GaH species. Dissociation of H2 on the perfect Ga2O3 surface, with the formation of both OH and GaH species, is endothermic and has an energy barrier of 0.90 eV. In contrast, H2 dissociation on the defective Ga2O3 surface with oxygen vacancies, which mainly produces GaH species, is exothermic, with an energy barrier of 0.61 eV. Accordingly, presence of the oxygen vacancies promotes H2 dissociation and production of GaH species on the Ga2O3 surfaces. Higher temperatures are expected to favor oxygen vacancy creation on the Ga2O3 surfaces, and thereby benefit the production of GaH species. This analysis is consistent with the FTIR results that the bands assigned to GaH species become stronger at higher temperatures. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  14. Highlights from a Mach 4 Experimental Demonstration of Inlet Mode Transition for Turbine-Based Combined Cycle Hypersonic Propulsion

    Science.gov (United States)

    Foster, Lancert E.; Saunders, John D., Jr.; Sanders, Bobby W.; Weir, Lois J.

    2012-01-01

    NASA is focused on technologies for combined cycle, air-breathing propulsion systems to enable reusable launch systems for access to space. Turbine Based Combined Cycle (TBCC) propulsion systems offer specific impulse (Isp) improvements over rocket-based propulsion systems in the subsonic takeoff and return mission segments along with improved safety. Among the most critical TBCC enabling technologies are: 1) mode transition from the low speed propulsion system to the high speed propulsion system, 2) high Mach turbine engine development and 3) innovative turbine based combined cycle integration. To address these challenges, NASA initiated an experimental mode transition task including analytical methods to assess the state-of-the-art of propulsion system performance and design codes. One effort has been the Combined-Cycle Engine Large Scale Inlet Mode Transition Experiment (CCE-LIMX) which is a fully integrated TBCC propulsion system with flowpath sizing consistent with previous NASA and DoD proposed Hypersonic experimental flight test plans. This experiment was tested in the NASA GRC 10 by 10-Foot Supersonic Wind Tunnel (SWT) Facility. The goal of this activity is to address key hypersonic combined-cycle engine issues including: (1) dual integrated inlet operability and performance issues-unstart constraints, distortion constraints, bleed requirements, and controls, (2) mode-transition sequence elements caused by switching between the turbine and the ramjet/scramjet flowpaths (imposed variable geometry requirements), and (3) turbine engine transients (and associated time scales) during transition. Testing of the initial inlet and dynamic characterization phases were completed and smooth mode transition was demonstrated. A database focused on a Mach 4 transition speed with limited off-design elements was developed and will serve to guide future TBCC system studies and to validate higher level analyses.

  15. Experimental on two sensors combination used in horizontal pipe gas-water two-phase flow

    International Nuclear Information System (INIS)

    Wu, Hao; Dong, Feng

    2014-01-01

    Gas-water two phase flow phenomenon widely exists in production and living and the measurement of it is meaningful. A new type of long-waist cone flow sensor has been designed to measure two-phase mass flow rate. Six rings structure of conductance probe is used to measure volume fraction and axial velocity. The calibration of them have been made. Two sensors have been combined in horizontal pipeline experiment to measure two-phase flow mass flow rate. Several model of gas-water two-phase flow has been discussed. The calculation errors of total mass flow rate measurement is less than 5% based on the revised homogeneous flow model

  16. Assessment of the densities of local anesthetics and their combination with adjuvants: an experimental study.

    Science.gov (United States)

    Imbelloni, Luiz Eduardo; Moreira, Adriano Dias; Gaspar, Flávia Cunha; Gouveia, Marildo A; Cordeiro, José Antônio

    2009-01-01

    The relative density of a local anesthetic in relation to that of the cerebrospinal fluid (CSF) at 37 degrees C is one of the most important physical properties that affect the level of analgesia obtained after the subarachnoid administration of the drug. The objective of this study was to determine the density of local anesthetic solutions, with and without glucose, and the combination of the local anesthetic with adjuvants at 20 degrees C, 25 degrees C, and 37 degrees C. The density (g.mL(-1)) was determined by using a DMA 450 densimeter with a sensitivity of +/- 0.00001 g.mL(-1). The densities, and variations, according to the temperature were obtained for all local anesthetics and their combination with opioids at 20 degrees C, 25 degrees C, and 37 degrees C. The solution is hyperbaric if its density exceeds 1.00099, hypobaric when its density is lower than 1.00019, and isobaric when its density is greater than 1.00019 and lower than 1.00099. The densities of both local anesthetics and adjuvants decrease with the increase in temperature. At 37 degrees C, all glucose-containing solutions are hyperbaric. In the absence of glucose, all solutions are hypobaric. At 37 degrees C, morphine, fentanyl, sufentanil, and clonidine are hypobaric. The densities of local anesthetics and adjuvants decrease with the increase in temperature and increase when glucose is added. The knowledge of the relative density helps select the most adequate local anesthetic to be administered in the subarachnoid space.

  17. Development of Sustained Release "NanoFDC (Fixed Dose Combination" for Hypertension - An Experimental Study.

    Directory of Open Access Journals (Sweden)

    Anjuman Arora

    Full Text Available The present study was planned to formulate, characterize and evaluate the pharmacokinetics of a novel "NanoFDC" comprising three commonly prescribed anti-hypertensive drugs, hydrochlorothiazide (a diuretic, candesartan (ARB and amlodipine (a calcium channel blocker.The candidate drugs were loaded in Poly (DL-lactide-co-gycolide (PLGA by emulsion- diffusion-evaporation method. The formulations were evaluated for their size, morphology, drug loading and in vitro release individually. Single dose pharmacokinetic profiles of the nanoformulations alone and in combination, as a NanoFDC, were evaluated in Wistar rats.The candidate drugs encapsulated inside PLGA showed entrapment efficiencies ranging from 30%, 33.5% and 32% for hydrochlorothiazide, candesartan and amlodipine respectively. The nanoparticles ranged in size from 110 to 180 nm. In vitro release profile of the nanoformulation showed 100% release by day 6 in the physiological pH 7.4 set up with PBS (phosphate buffer saline and by day 4-5 in the intestinal pH 1.2 and 8.0 set up SGF (simulated gastric fluid and SIF (simulated intestinal fluid respectively. In pharmacokinetic analysis a sustained-release for 6 days and significant increase in the mean residence time (MRT, as compared to the respective free drugs was noted [MRT of amlodipine, hydrochlorothiazide and candesartan changed from 8.9 to 80.59 hours, 11 to 69.20 hours and 9 to 101.49 hours respectively].We have shown for the first time that encapsulating amlodipine, hydrochlorothiazide and candesartan into a single nanoformulation, to get the "NanoFDC (Fixed Dose Combination" is a feasible strategy which aims to decrease pill burden.

  18. Combining Behavioral Endocrinology and Experimental Economics: Testosterone and Social Decision Making

    Science.gov (United States)

    2011-01-01

    Behavioral endocrinological research in humans as well as in animals suggests that testosterone plays a key role in social interactions. Studies in rodents have shown a direct link between testosterone and aggressive behavior1 and folk wisdom adapts these findings to humans, suggesting that testosterone induces antisocial, egoistic or even aggressive behavior2. However, many researchers doubt a direct testosterone-aggression link in humans, arguing instead that testosterone is primarily involved in status-related behavior3,4. As a high status can also be achieved by aggressive and antisocial means it can be difficult to distinguish between anti-social and status seeking behavior. We therefore set up an experimental environment, in which status can only be achieved by prosocial means. In a double-blind and placebo-controlled experiment, we administered a single sublingual dose of 0.5 mg of testosterone (with a hydroxypropyl-β-cyclodextrin carrier) to 121 women and investigated their social interaction behavior in an economic bargaining paradigm. Real monetary incentives are at stake in this paradigm; every player A receives a certain amount of money and has to make an offer to another player B on how to share the money. If B accepts, she gets what was offered and player A keeps the rest. If B refuses the offer, nobody gets anything. A status seeking player A is expected to avoid being rejected by behaving in a prosocial way, i.e. by making higher offers. The results show that if expectations about the hormone are controlled for, testosterone administration leads to a significant increase in fair bargaining offers compared to placebo. The role of expectations is reflected in the fact that subjects who report that they believe to have received testosterone make lower offers than those who say they believe that they were treated with a placebo. These findings suggest that the experimental economics approach is sensitive for detecting neurobiological effects as subtle

  19. On the physical and chemical details of alumina atomic layer deposition: A combined experimental and numerical approach

    International Nuclear Information System (INIS)

    Pan, Dongqing; Ma, Lulu; Xie, Yuanyuan; Yuan, Chris; Jen, Tien Chien

    2015-01-01

    Alumina thin film is typically studied as a model atomic layer deposition (ALD) process due to its high dielectric constant, high thermal stability, and good adhesion on various wafer surfaces. Despite extensive applications of alumina ALD in microelectronics industries, details on the physical and chemical processes are not yet well understood. ALD experiments are not able to shed adequate light on the detailed information regarding the transient ALD process. Most of current numerical approaches lack detailed surface reaction mechanisms, and their results are not well correlated with experimental observations. In this paper, the authors present a combined experimental and numerical study on the details of flow and surface reactions in alumina ALD using trimethylaluminum and water as precursors. Results obtained from experiments and simulations are compared and correlated. By experiments, growth rate on five samples under different deposition conditions is characterized. The deposition rate from numerical simulation agrees well with the experimental results. Details of precursor distributions in a full cycle of ALD are studied numerically to bridge between experimental observations and simulations. The 3D transient numerical model adopts surface reaction kinetics and mechanisms based on atomic-level studies to investigate the surface deposition process. Surface deposition is shown as a strictly self-limited process in our numerical studies. ALD is a complex strong-coupled fluid, thermal and chemical process, which is not only heavily dependent on the chemical kinetics and surface conditions but also on the flow and material distributions

  20. Determination of pKa and the corresponding structures of quinclorac using combined experimental and theoretical approaches

    Science.gov (United States)

    Song, Dean; Sun, Huiqing; Jiang, Xiaohua; Kong, Fanyu; Qiang, Zhimin; Zhang, Aiqian; Liu, Huijuan; Qu, Jiuhui

    2018-01-01

    As an emerging environmental contaminant, the herbicide quinclorac has attracted much attention in recent years. However, a very fundamental issue, the acid dissociation of quinclorac has not yet to be studied in detail. Herein, the pKa value and the corresponding structures of quinclorac were systematically investigated using combined experimental and theoretical approaches. The experimental pKa of quinclorac was determined by the spectrophotometric method to be 2.65 at 25 °C with ionic strength of 0.05 M, and was corrected to be 2.56 at ionic strength of zero. The molecular structures of quinclorac were then located by employing the DFT calculation. The anionic quinclorac was directly located with the carboxylic group perpendicular to the aromatic ring, while neutral quinclorac was found to be the equivalent twin structures. The result was further confirmed by analyzing the UV/Vis and MS-MS2 spectra from both experimental and theoretical viewpoints. By employing the QSPR approach, the theoretical pKa of QCR was determined to be 2.50, which is excellent agreement with the experimental result obtained herein. The protonation of QCR at the carboxylic group instead of the quinoline structure was attributed to the weak electronegative property of nitrogen atom induced by the electron-withdrawing groups. It is anticipated that this work could not only help in gaining a deep insight into the acid dissociation of quinclorac but also offering the key information on its reaction and interaction with others.

  1. Combined experimental and theoretical study of the mechanism and enantioselectivity of palladium-catalyzed intermolecular Heck coupling

    DEFF Research Database (Denmark)

    Henriksen, Signe Teuber; Norrby, Per-Ola; Kaukoranta, Päivi

    2008-01-01

    . The steric interactions in this transition state fully account for the enantioselectivity observed with the ligands studied. The calculations also predict relative reactivity and nonlinear mixing effects for the investigated ligands; these predictions are fully validated by experimental testing. Finally......The asymmetric Heck reaction using P,N-ligands has been studied by a combination of theoretical and experimental methods. The reaction follows Halpern-style selectivity; that is, the major isomer is produced from the least favored form of the pre-insertion intermediate. The initially formed Ph......, the low conversion observed with some catalysts was found to be caused by inactivation due to weak binding of the ligand to Pd(0). Adding monodentate PPh3 alleviated the precipitation problem without deteriorating the enantioselectivity and led to one of the most effective catalytic systems to date....

  2. An Insight into Flotation Chemistry of Pyrite with Isomeric Xanthates: A Combined Experimental and Computational Study

    Directory of Open Access Journals (Sweden)

    Guihong Han

    2018-04-01

    Full Text Available The flotation chemistry between pyrite and isomeric xanthates (butyl xanthate and isobutyl xanthate was investigated by means of adsorption experiments, surface tension tests, and molecular dynamic simulations in this work. The flotation chemical results were confirmed and further interpreted by quantum chemical calculations. The experiment results demonstrated that the isobutyl xanthate exhibited superior adsorption capacity and surface activity than those of butyl xanthate in flotation chemistry. In addition, molecular dynamic simulations were simultaneously performed in constant number, constant volume and temperature (NVT, and constant number, constant volume, and pressure (NPT ensemble, indicating that the NPT ensemble was more suitable to the flotation system and the isobutyl xanthate was easier to be adsorbed on pyrite surface compared with butyl xanthate during an appropriate range of concentrations. Furthermore, the quantum chemical calculations elucidated that the isobutyl xanthate presented higher reactivity than that of the corresponding butyl xanthate based on the frontier molecular orbital theory of chemical reactivity, which was consistent with experimental and simulation results obtained. This work can provide theoretical guidance for an in-depth study of the flotation chemistry of pyrite with isomeric xanthates.

  3. Parametric Analysis and Experimental Verification of a Hybrid Vibration Energy Harvester Combining Piezoelectric and Electromagnetic Mechanisms

    Directory of Open Access Journals (Sweden)

    Zhenlong Xu

    2017-06-01

    Full Text Available Considering coil inductance and the spatial distribution of the magnetic field, this paper developed an approximate distributed-parameter model of a hybrid energy harvester (HEH. The analytical solutions were compared with numerical solutions. The effects of load resistances, electromechanical coupling factors, mechanical damping ratio, coil parameters and size scale on performance were investigated. A meso-scale HEH prototype was fabricated, tested and compared with a stand-alone piezoelectric energy harvester (PEH and a stand-alone electromagnetic energy harvester (EMEH. The peak output power is 2.93% and 142.18% higher than that of the stand-alone PEH and EMEH, respectively. Moreover, its bandwidth is 108%- and 122.7%-times that of the stand-alone PEH and EMEH, respectively. The experimental results agreed well with the theoretical values. It is indicated that the linearized electromagnetic coupling coefficient is more suitable for low-level excitation acceleration. Hybrid energy harvesting contributes to widening the frequency bandwidth and improving energy conversion efficiency. However, only when the piezoelectric coupling effect is weak or medium can the HEH generate more power than the single-mechanism energy harvester. Hybrid energy harvesting can improve output power even at the microelectromechanical systems (MEMS scale. This study presents a more effective model for the performance evaluation and structure optimization of the HEH.

  4. Synthesis and characterization of sulfolane-based amino alcohols: A combined experimental and computational study

    Science.gov (United States)

    Palchykov, Vitalii A.; Zarovnaya, Iryna S.; Tretiakov, Serhii V.; Reshetnyak, Alyona V.; Omelchenko, Iryna V.; Shishkin, Oleg V.; Okovytyy, Sergiy I.

    2018-04-01

    Aminolysis of 3,4-epoxysulfolane in aqueous media leads to a very complex mixture of products with unresolved stereochemistry. Herein, we report a detailed theoretical and experimental mechanistic investigation of this reaction along with extensive spectroscopic characterization of the resulting amino alcohols, using 1D and 2D NMR techniques (1H, 13C, NOE, NOESY, COSY, HSQC, HMBC) as well as XRD analysis. In addition to simple amines such as ammonia and benzylamine, our study also employed the more sterically hindered endo-bicyclo[2.2.1]hept-5-en-2-ylmethanamine. The mechanism of the aminolysis of 3,4-epoxysulfolane by aqueous ammonia was studied in more detail using quantum chemical calculations at the M06-2X/6-31++G** level of theory. The computational results led us to conclude that the most probable way of initial epoxide transformation is base-catalyzed rearrangement to a corresponding allylic alcohol. Subsequent formation of vicinal amino alcohols and diols proceeds via addition of ammonia or hydroxy-anions to activated double Cdbnd C bond with some preference of a cis-attack. Detailed analytical data obtained in the course of our work will be useful for the stereochemical identification of new sulfolane derivatives.

  5. Identification of nickel-vacancy defects by combining experimental and ab initio simulated photocurrent spectra

    Science.gov (United States)

    Londero, E.; Bourgeois, E.; Nesladek, M.; Gali, A.

    2018-06-01

    There is a continuous search for solid state spin qubits operating at room temperature with excitation in the infrared communication bandwidth. Recently, we have introduced the photoelectric detection of magnetic resonance (PDMR) to read the electron spin state of nitrogen-vacancy (NV) centers in diamond, a technique which is promising for applications in quantum information technology. By measuring the photoionization spectra on a diamond crystal, we found two ionization thresholds of unknown origin. On the same sample we also observed absorption and photoluminescence signatures that were identified in the literature as Ni-associated defects. We performed ab initio calculations of the photoionization cross section of the nickel split-vacancy complex (NiV) and N-related defects in their relevant charge states and fitted the concentration of these defects to the measured photocurrent spectrum, which led to a surprising match between experimental and calculated spectra. This study enabled us to identify the two unknown ionization thresholds with the two acceptor levels of NiV. Because the excitation of NiV is in the infrared, the photocurrent detected from the paramagnetic NiV color centers is a promising way towards the design of electrically readout qubits.

  6. Linoleic acid and its potassium and sodium salts: A combined experimental and theoretical study

    Science.gov (United States)

    Gocen, Tuğba; Haman Bayarı, Sevgi; Haluk Guven, Mehmet

    2017-12-01

    Linoleic acid (cis, cis-9,12-octodecadienoic acid) is the main polyunsaturated -omega 6- essential fatty acid. The conformational behaviour of linoleic acid (LA) in the gas phase was investigated by means of density functional theory (DFT). The structures of conformers of LA were fully optimized by using the B3LYP/6-311++G(d,p) method. The theory showed that the tttttts‧CssCs‧tt conformation of LA (conformer I) is the more stable than the other conformations. Fourier Transform Infrared (FTIR) and micro-Raman spectra of pure LA in liquid form were recorded in the region 4000-450 and 3500-100 cm-1, respectively. The DFT calculations on the molecular structure and vibrational spectra of the dimer form of most stable conformer of LA were also performed using the same method. The assignment of the vibrational modes was made based on calculated potential energy distributions (PEDs). The simulated spectra of dimer form of LA are in reasonably good agreement with the experimental spectra. The sodium and potassium salts of LA were synthesized and characterized by FTIR and Raman spectroscopy, X-ray diffraction and DFT calculations. Several molecular and electronic properties of LA and its salts such as HOMO-LUMO energies, chemical hardness and electronegativity were also calculated and interpreted.

  7. Experimental study of the combined effect of cigarette smoke and an active burden of radon-222

    International Nuclear Information System (INIS)

    Chameaud, J.; Perraud, R.; Chretien, J.; Masse, R.; Lafuma, J.

    1978-01-01

    Previous studies on the carcinogenic effect of radon-222 derivatives have yielded accurate relationships, for each radon dose, between the dose value and the frequencies and latency times of lung cancers. In the present work, one hundred rats were subjected, over one-and-a-half months, to a total dose of 3600 WLM, chosen because it corresponds to a 30% occurrence of cancers. Fifty of these animals then inhaled cigarette smoke during 50 ten-minute sessions per week. The total time for these inhalations was 350 hours spread over about six months. In the 'radon' group (50 rats), 17 animals were found to have lung cancer. In the 'radon + tobacco' group (50 rats), 32 cancers were observed; moreover, the tumours in this group were much more extensive, multifocal and invasive. Animals subjected to cigarette smoke alone have never shown lung cancer. The effect of tobacco as a co-factor in carcinogenesis has thus been varified experimentally, although inhaled cigarette smoke alone is not carcinogenic in rats. (author)

  8. Combined experimental and theoretical study on the Raman and Raman optical activity signatures of pentamethylundecane diastereoisomers.

    Science.gov (United States)

    Drooghaag, Xavier; Marchand-Brynaert, Jacqueline; Champagne, Benoît; Liégeois, Vincent

    2010-09-16

    The synthesis and the separation of the four stereoisomers of 2,4,6,8,10-pentamethylundecane (PMU) are described together with their characterization by Raman spectroscopy. In parallel, theoretical calculations of the Raman and vibrational Raman optical activity (VROA) spectra are reported and analyzed in relation with the recorded spectra. A very good agreement is found between the experimental and theoretical spectra. The Raman spectra are also shown to be less affected by the change of configuration than the VROA spectra. Nevertheless, by studying the overlap between the theoretical Raman spectra, we show clear relationships between the spectral fingerprints and the structures displaying a mixture of the TGTGTGTG conformation of the (4R,6s,8S)-PMU (isotactic compound) with the TTTTTTTT conformation of the (4R,6r,8S)-PMU (syndiotactic compound). Then, the fingerprints of the VROA spectra of the five conformers of the (4R,8R)-PMU have been related to the fingerprints of the regular (TG)(N) isotactic compound as a function of the torsion angles. Since the (TT)(N) syndiotactic compound has no VROA signatures, the VROA spectroscopy is very sensitive to the helical structures, as demonstrated here.

  9. Understanding AlN Obtaining Through Computational Thermodynamics Combined with Experimental Investigation

    Science.gov (United States)

    Florea, R. M.

    2017-06-01

    Basic material concept, technology and some results of studies on aluminum matrix composite with dispersive aluminum nitride reinforcement was shown. Studied composites were manufactured by „in situ” technique. Aluminum nitride (AlN) has attracted large interest recently, because of its high thermal conductivity, good dielectric properties, high flexural strength, thermal expansion coefficient matches that of Si and its non-toxic nature, as a suitable material for hybrid integrated circuit substrates. AlMg alloys are the best matrix for AlN obtaining. Al2O3-AlMg, AlN-Al2O3, and AlN-AlMg binary diagrams were thermodynamically modelled. The obtained Gibbs free energies of components, solution parameters and stoichiometric phases were used to build a thermodynamic database of AlN- Al2O3-AlMg system. Obtaining of AlN with Liquid-phase of AlMg as matrix has been studied and compared with the thermodynamic results. The secondary phase microstructure has a significant effect on the final thermal conductivity of the obtained AlN. Thermodynamic modelling of AlN-Al2O3-AlMg system provided an important basis for understanding the obtaining behavior and interpreting the experimental results.

  10. Evaluation of Thin Plate Hydrodynamic Stability through a Combined Numerical Modeling and Experimental Effort

    Energy Technology Data Exchange (ETDEWEB)

    Tentner, A. [Argonne National Lab. (ANL), Argonne, IL (United States); Bojanowski, C. [Argonne National Lab. (ANL), Argonne, IL (United States); Feldman, E. [Argonne National Lab. (ANL), Argonne, IL (United States); Wilson, E. [Argonne National Lab. (ANL), Argonne, IL (United States); Solbrekken, G [Univ. of Missouri, Columbia, MO (United States); Jesse, C. [Univ. of Missouri, Columbia, MO (United States); Kennedy, J. [Univ. of Missouri, Columbia, MO (United States); Rivers, J. [Univ. of Missouri, Columbia, MO (United States); Schnieders, G. [Univ. of Missouri, Columbia, MO (United States)

    2017-05-01

    An experimental and computational effort was undertaken in order to evaluate the capability of the fluid-structure interaction (FSI) simulation tools to describe the deflection of a Missouri University Research Reactor (MURR) fuel element plate redesigned for conversion to lowenriched uranium (LEU) fuel due to hydrodynamic forces. Experiments involving both flat plates and curved plates were conducted in a water flow test loop located at the University of Missouri (MU), at conditions and geometries that can be related to the MURR LEU fuel element. A wider channel gap on one side of the test plate, and a narrower on the other represent the differences that could be encountered in a MURR element due to allowed fabrication variability. The difference in the channel gaps leads to a pressure differential across the plate, leading to plate deflection. The induced plate deflection the pressure difference induces in the plate was measured at specified locations using a laser measurement technique. High fidelity 3-D simulations of the experiments were performed at MU using the computational fluid dynamics code STAR-CCM+ coupled with the structural mechanics code ABAQUS. Independent simulations of the experiments were performed at Argonne National Laboratory (ANL) using the STAR-CCM+ code and its built-in structural mechanics solver. The simulation results obtained at MU and ANL were compared with the corresponding measured plate deflections.

  11. New aspects of the antioxidant properties of phenolic acids: a combined theoretical and experimental approach.

    Science.gov (United States)

    Anouar, E; Kosinová, P; Kozlowski, D; Mokrini, R; Duroux, J L; Trouillas, P

    2009-09-21

    Ferulic acid is widely distributed in the leaves and seeds of cereals as well as in coffee, apples, artichokes, peanuts, oranges and pineapples. Like numerous other natural polyphenols it exhibits antioxidant properties. It is known to act as a free radical scavenger by H atom transfer from the phenolic OH group. In the present joint experimental and theoretical studies we studied a new mechanism to explain such activities. Ferulic acid can indeed act by radical addition on the alpha,beta-double bond. On the basis of the identification of metabolites formed in an oxidative radiolytic solution and after DFT calculations, we studied the thermodynamic and kinetic aspects of this reaction. Addition and HAT reactions were treated as competitive reactions. The possibility of dimer formation was also investigated from a theoretical point of view; the high barriers we obtained contribute to explaining why we did not observe those compounds as major radiolytic compounds. The DPPH free radical scavenging capacity of ferulic acid and the oxidative products was measured and is discussed on the basis of DFT calculations (BDEs and spin densities).

  12. Academic Procrastination and Goal Accomplishment: A Combined Experimental and Individual Differences Investigation.

    Science.gov (United States)

    Gustavson, Daniel E; Miyake, Akira

    2017-02-01

    This study examined the relationship between academic procrastination and goal accomplishment in two novel ways. First, we experimentally tested whether undergraduate students ( N = 177) could reduce their academic procrastination over a course of three weeks after performing goal-related exercises to set so-called SMART goals and/or to prepare those students with specific strategies to resist their temptations (forming implementation intentions). Second, we conducted systematic regression analyses to examine whether academic procrastination at baseline uniquely predicts later goal-related outcomes, controlling for various correlated variables, including personality traits (e.g., impulsivity), motivational factors (e.g., motivation for the generated goals), and situational factors (e.g., memory for the goals). Results indicated that neither the SMART-goal nor implementation-intention intervention significantly reduced academic procrastination in the three-week interval, even when relevant moderating variables were examined. Initial levels of academic procrastination, however, were predictive of the success of accomplishing the goals generated during the initial exercises, above and beyond a wide range of other candidate correlates. These results provided new correlational evidence for the association between academic procrastination and goal accomplishment, but suggest a need for further research to understand what interventions are effective at reducing academic procrastination.

  13. A combined experimental (IR, Raman and UV-Vis) and quantum chemical study of canadine

    Science.gov (United States)

    Joshi, Bhawani Datt; Srivastava, Anubha; Tandon, Poonam; Jain, Sudha; Ayala, A. P.

    2018-02-01

    Plant based natural products cover a major sector of the medicinal field, as such focus on plant research has been increased all over the world. As an attempt to aid that research, we have performed structural and spectroscopic analysis of a natural product, an alkaloid: canadine. Both ab initio Hartree-Fock (HF) and density functional theory (DFT) employing B3LYP using 6-311 ++G(d,p) basis set were used for the calculations. The calculated vibrational frequencies were scaled and compared with the experimental infrared and Raman spectra. The complete vibrational assignments were made using potential energy distribution. The structure-activity relation has also been interpreted by mapping electrostatic potential surface and evaluating the reactivity descriptors, which are valuable information for quality control of medicines and drug-receptor interactions. Natural bond orbital analysis has also been performed to understand the stability and hyperconjugative interactions of the molecule. Furthermore, UV-Vis spectra have been recorded in an ethanol solvent (EtOH) and the electronic property has been analyzed employing TD-DFT for both gaseous and solvent phase. The HOMO and LUMO calculation with their energy gap show that charge transfer occurs within the molecule. Additionally, the nonlinear optical properties of the title compound have been interpreted that predicts it's the best candidate for the NLO materials.

  14. BIOCHEMICAL SUBSTANTIATION OF COMBINED THERAPY APPLICATION IN THE ACUTE PHASE OF EXPERIMENTAL HELMINTHIASIS OF ANIMALS

    Directory of Open Access Journals (Sweden)

    E. A. Grishina

    2017-01-01

    Full Text Available The purpose of this study was to investigate the influence of the invasion process and different strategies of treatment on some biochemical blood indices of mice infested with Syphacia obvelata and Trichocephalus muris of gastrointestinal tract, in order to optimize etiotropic therapy and improve its efficiency. Materials and methods. In the experiment were used albino mice, divided into the following groups: intact animals (control group; animals infected with Syphacia obvelata; animals infected with Trichocephalus muris; infected animals, who received a single dose of albendazole (7 mg/kg; infected animals, who received a single dose of albendazole (7 mg/kg and gamavit dose intramuscularly (0.3 cm3/kg simultaneously. Blood for the studies was taken from the animals at 1, 3, 7, 10, 14, 17, 21 days after the infection and after drug administration. From biochemical parameters were determined activities of next enzymes: alanine aminotransferase (ALT, aspartate aminotransferase (AST, gamma-glutamyl transferase (γ-GTP and alkaline phosphatase (AP – with kinetic method IFCC. Results. Infecting animals with helminthes caused a noticeable increase in AP and gamma-GTP levels and cytolytic activity of enzymes: ALT and AST compared with intact group. The above-mentioned complex of metabolic changes clearly reveals a disturbance in hepatocyte metabolism that leads to the decrease in detoxifying function of the liver. This can be apparently explained with toxic effects of helminthes waste products. Albendazole mono-therapy in the therapeutic dose (7 mg/kg of mice infected with both Syphacia and Trichocephalus caused an even greater increase in ALT and AST levels and also increased serum levels of alkaline phosphatase and γ-GTP, compared with the control and infected animals, that clearly shows an additional toxic effect from the antihelmintic drug. The use of albendazole in combination with a complex antioxidant “Gamavit” in animals infected with

  15. Efficacy of tiamulin alone or in combination with chlortetracycline against experimental Mycoplasma gallisepticum infection in chickens.

    Science.gov (United States)

    Garmyn, A; Vereecken, M; Degussem, K; Depondt, W; Haesebrouck, F; Martel, A

    2017-09-01

    Mycoplasma gallisepticum (M. gallisepticum) remains one of the most important diseases in poultry production. Controlling the impact of the disease is done by eradication of positive breeder flocks or by vaccination and medication. A widely used molecule in medication programs is tiamulin, a pleuromutilin antibiotic. Since recent data on the in vivo efficacy of this molecule are scarce, 2 challenge studies were conducted using a recently isolated M. gallisepticum strain belonging to the wildtype population with regard to its tiamulin and tetracycline minimum inhibitory concentration (MIC). In the first challenge study, the dose rate of tiamulin was tested. For this, broilers were infected with M. gallisepticum and treated with 10 mg or 25 mg tiamulin hydrogen fumarate (hf)/kg body weight (BW) for 5 successive days. In a second challenge study, the dose rate of tiamulin combined with chlortetracycline was tested. For this, broilers were infected with M. gallisepticum and treated with 6.25 mg tiamulin hf/18.75 mg chlortetracycline hydrochloride (hcl)/kg BW or 12.5 mg tiamulin hf/37.5 mg chlortetracycline hcl/kg BW for 5 successive days. Clinical scoring of respiratory signs, macroscopic scoring of respiratory tract lesions, M. gallisepticum isolation from the respiratory organs, weight gain, and mortality were the monitored efficacy parameters. The first study demonstrated that a 5-day 10 mg/kg BW tiamulin hf treatment provided significant protection against the M. gallisepticum infection. However, since the 5-day 25 mg/kg BW group was significantly better than the 10 mg/kg BW for reducing the post-treatment clinical signs and the M. gallisepticum numbers in the respiratory organs, the 25 mg/kg BW treatment is recommended for clinical M. gallisepticum infections. In the second study, the combined 12.5 mg tiamulin hf/37.5 mg chlortetracycline hcl/kg BW resulted in a significant reduction of the severity of clinical respiratory disease post treatment and a

  16. [Experimental study on vascular bundle implantation combined with cellular transplantation in treating rabbit femoral head necrosis].

    Science.gov (United States)

    Chen, Shuang-Tao; Zhang, Wei-Ping; Liu, Chang-An; Wang, Jun-Jiang; Song, Heng-Yi; Chai, Zhi-wen

    2013-03-01

    To discuss the feasibility of vascular bundle implantation combined with allogeneic bone marrow stromal cells (BMSCs) transplantation in treating rabbit femoral head osteonecrosis and bone defect, in order to explore a new method for the treatment of femoral head necrosis. Thirty-six New Zealand rabbits were randomly divided into three groups,with 12 rabbits in each group. Bilateral femoral heads of the rabbits were studied in the experiment. The models were made by liquid nitrogen frozen, and the femoral heads were drilled to cause bone defect. Group A was the control group,group B was stem cells transplantaion group of allograft marrow stromal,and group C was stem cells transplantation group of allograft marrow stromal combined with vascular bundle implantation. Three rabbits of each group were sacrificed respectively at 2, 4, 8, 12 weeks after operation. All specimens of the femoral heads were sliced for HE staining. Furthermore ,vascular density and the percentage of new bone trabecula of femoral head coronary section in defect area were measured and analyzed statistically. In group C,new bone trabecula and original micrangium formed at the 2nd week after operation; new bone trabecula was lamellar and interlaced with abundant micrangium at the 8th week;at the 12th week,the broadened,coarsened bone trabecula lined up regularly,and the mature bone trabecula and new marrow were visible. At the 2nd week after operation,there was no statistical significance in the percentage of new bone trabecula of femoral head coronary section in defect area between group B and C. While at 4, 8, 12 week after operation, vascular density and the percentage of new bone trabecula of femoral head coronary section in defect area of group C was higher than that of group B. Allogeneic bone marrow stromal cells cultured in vivo can form new bone trabecula, and can be applied to allotransplant. Vascular bundle implanted into the bone defect area of femoral head necrosis could improve blood

  17. Modeling Aerobic Carbon Source Degradation Processes using Titrimetric Data and Combined Respirometric-Titrimetric Data: Experimental Data and Model Structure

    DEFF Research Database (Denmark)

    Gernaey, Krist; Petersen, B.; Nopens, I.

    2002-01-01

    Experimental data are presented that resulted from aerobic batch degradation experiments in activated sludge with simple carbon sources (acetate and dextrose) as substrates. Data collection was done using combined respirometric-titrimetric measurements. The respirometer consists of an open aerated....... For acetate, protons were consumed during aerobic degradation, whereas for dextrose protons were produced. For both carbon sources, a linear relationship was found between the amount of carbon source added and the amount of protons consumed (in case of acetate: 0.38 meq/mmol) or produced (in case of dextrose...

  18. A theoretical/experimental approach to determining the residual strength of corroded pipelines under combined pressure/bending loads

    International Nuclear Information System (INIS)

    Kanninen, M.F.; Roy, S.; Grigory, S.C.; Pagalthivarthi, K.V.; Maple, J.

    1992-01-01

    This paper reported on a study that examined the feasibility of developing a theoretically valid methodology for assessing the residual strength of corroded oil pipelines in combined pressure loading and axial bending conditions. Bending can occur due to local subsidence that can occur in moist soil, resulting in bending stresses that can equal or exceed the pressure-related stresses. The study involved a series of pipe testing, finite element analyses and shell theory modelling. The experiment performed to validate the modelling involved an artificially degraded 20 inch diameter X52 steel pipe that was subjected to pressure and bending loadings. The integration of the 3 technical activities demonstrated the feasibility of the proposed analysis methodology for determining the potential failure of oil and gas pipelines with metal loss. Predictions were found to be in good agreement with experimental results when the methodology was combined with criteria such as the instability of the effective plastic strain. 1 ref., 7 figs.

  19. Apneic oxygenation combined with extracorporeal arteriovenous carbon dioxide removal provides sufficient gas exchange in experimental lung injury

    DEFF Research Database (Denmark)

    Nielsen, Niels Dalsgaard; Kjærgaard, Benedict; Koefoed-Nielsen, Jacob

    2008-01-01

    We hypothesized that apneic oxygenation, using an open lung approach, combined with extracorporeal CO2 removal, would provide adequate gas exchange in acute lung injury. We tested this hypothesis in nine anesthetized and mechanically ventilated pigs (85-95 kg), in which surfactant was depleted fr....../min. Thus, the method provided adequate gas exchange in this experimental model, suggesting that it might have potential as an alternative treatment modality in acute lung injury.......We hypothesized that apneic oxygenation, using an open lung approach, combined with extracorporeal CO2 removal, would provide adequate gas exchange in acute lung injury. We tested this hypothesis in nine anesthetized and mechanically ventilated pigs (85-95 kg), in which surfactant was depleted from...

  20. Potential effect of fiddler crabs on organic matter distribution: A combined laboratory and field experimental approach

    Science.gov (United States)

    Natálio, Luís F.; Pardo, Juan C. F.; Machado, Glauco B. O.; Fortuna, Monique D.; Gallo, Deborah G.; Costa, Tânia M.

    2017-01-01

    Bioturbators play a key role in estuarine environments by modifying the availability of soil elements, which in turn may affect other organisms. Despite the importance of bioturbators, few studies have combined both field and laboratory experiments to explore the effects of bioturbators on estuarine soils. Herein, we assessed the bioturbation potential of fiddler crabs Leptuca leptodactyla and Leptuca uruguayensis in laboratory and field experiments, respectively. We evaluated whether the presence of fiddler crabs resulted in vertical transport of sediment, thereby altering organic matter (OM) distribution. Under laboratory conditions, the burrowing activity by L. leptodactyla increased the OM content in sediment surface. In the long-term field experiment with areas of inclusion and exclusion of L. uruguayensis, we did not observe influence of this fiddler crab in the vertical distribution of OM. Based on our results, we suggest that small fiddler crabs, such as the species used in these experiments, are potentially capable of alter their environment by transporting sediment and OM but such effects may be masked by environmental drivers and spatial heterogeneity under natural conditions. This phenomenon may be related to the small size of these species, which affects how much sediment is transported, along with the way OM interacts with biogeochemical and physical processes. Therefore, the net effect of these burrowing organisms is likely to be the result of a complex interaction with other environmental factors. In this sense, we highlight the importance of performing simultaneous field and laboratory experiments in order to better understanding the role of burrowing animals as bioturbators.

  1. Selected spices and their combination modulate hypercholesterolemia-induced oxidative stress in experimental rats

    Directory of Open Access Journals (Sweden)

    Gloria A Otunola

    2014-01-01

    Full Text Available BACKGROUND: Effect of aqueous extracts of Allium sativum (garlic, Zingiber officinale (ginger, Capsicum fructensces (cayenne pepper and their mixture on oxidative stress in rats fed high Cholesterol/high fat diet was investigated. Rats were randomly distributed into six groups (n = 6 and given different dietary/spice treatments. Group 1 standard rat chow (control, group 2, hypercholesterolemic diet plus water, and groups 3, 4, 5, 6, hypercholesterolemic diet with 0.5 ml 200 mg · kg-1 aqueous extracts of garlic, ginger, cayenne pepper or their mixture respectively daily for 4 weeks. RESULTS: Pronounced oxidative stress in the hypercholesterolemic rats evidenced by significant (p < 0.05 increase in MDA levels, and suppression of the antioxidant enzymes system in rat's liver, kidney, heart and brain tissues was observed. Extracts of spices singly or combined administered at 200 mg.kg-1 body weight significantly (p < 0.05 reduced MDA levels and restored activities of antioxidant enzymes. CONCLUSIONS: It is concluded that consumption of garlic, ginger, pepper, or their mixture may help to modulate oxidative stress caused by hypercholesterolemia in rats.

  2. Suspended sediment assessment by combining sound attenuation and backscatter measurements - analytical method and experimental validation

    Science.gov (United States)

    Guerrero, Massimo; Di Federico, Vittorio

    2018-03-01

    The use of acoustic techniques has become common for estimating suspended sediment in water environments. An emitted beam propagates into water producing backscatter and attenuation, which depend on scattering particles concentration and size distribution. Unfortunately, the actual particles size distribution (PSD) may largely affect the accuracy of concentration quantification through the unknown coefficients of backscattering strength, ks2, and normalized attenuation, ζs. This issue was partially solved by applying the multi-frequency approach. Despite this possibility, a relevant scientific and practical question remains regarding the possibility of using acoustic methods to investigate poorly sorted sediment in the spectrum ranging from clay to fine sand. The aim of this study is to investigate the possibility of combining the measurement of sound attenuation and backscatter to determine ζs for the suspended particles and the corresponding concentration. The proposed method is moderately dependent from actual PSD, thus relaxing the need of frequent calibrations to account for changes in ks2 and ζs coefficients. Laboratory tests were conducted under controlled conditions to validate this measurement technique. With respect to existing approaches, the developed method more accurately estimates the concentration of suspended particles ranging from clay to fine sand and, at the same time, gives an indication on their actual PSD.

  3. Combination therapy with normobaric oxygen (NBO plus thrombolysis in experimental ischemic stroke

    Directory of Open Access Journals (Sweden)

    Singhal Aneesh B

    2009-07-01

    Full Text Available Abstract Background The widespread use of tissue plasminogen activator (tPA, the only FDA-approved acute stroke treatment, remains limited by its narrow therapeutic time window and related risks of brain hemorrhage. Normobaric oxygen therapy (NBO may be a useful physiological strategy that slows down the process of cerebral infarction, thus potentially allowing for delayed or more effective thrombolysis. In this study we investigated the effects of NBO started simultaneously with intravenous tPA, in spontaneously hypertensive rats subjected to embolic middle cerebral artery (MCA stroke. After homologous clot injection, animals were randomized into different treatment groups: saline injected at 1 hour; tPA at 1 hour; saline at 1 hour plus NBO; tPA at 1 hour plus NBO. NBO was maintained for 3 hours. Infarct volume, brain swelling and hemorrhagic transformation were quantified at 24 hours. Outcome assessments were blinded to therapy. Results Upon clot injection, cerebral perfusion in the MCA territory dropped below 20% of pre-ischemic baselines. Both tPA-treated groups showed effective thrombolysis (perfusion restored to nearly 100% and smaller infarct volumes (379 ± 57 mm3 saline controls; 309 ± 58 mm3 NBO; 201 ± 78 mm3 tPA; 138 ± 30 mm3 tPA plus NBO, showing that tPA-induced reperfusion salvages ischemic tissue and that NBO does not significantly alter this neuroprotective effect. NBO had no significant effect on hemorrhagic conversion, brain swelling, or mortality. Conclusion NBO can be safely co-administered with tPA. The efficacy of tPA thrombolysis is not affected and there is no induction of brain hemorrhage or edema. These experimental results require clinical confirmation.

  4. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.

    Science.gov (United States)

    Li, H; Aquino, A J A; Cordes, D B; Hase, W L; Krempner, C

    2017-02-01

    Zwitterionic group 14 complexes of the alkali metals of formula [C(SiMe 2 OCH 2 CH 2 OMe) 3 M], (M- 1 ), [Si(SiMe 2 OCH 2 CH 2 OMe) 3 M], (M- 2 ), [Ge(SiMe 2 OCH 2 CH 2 OMe) 3 M], (M- 3 ), where M = Li, Na or K, have been prepared, structurally characterized and their electronic nature was investigated by computational methods. Zwitterions M- 2 and M- 3 were synthesized via reactions of [Si(SiMe 2 OCH 2 CH 2 OMe) 4 ] ( 2 ) and [Ge(SiMe 2 OCH 2 CH 2 OMe) 4 ] ( 3 ) with MOBu t (M = Li, Na or K), resp., in almost quantitative yields, while M- 1 were prepared from deprotonation of [HC(SiMe 2 OCH 2 CH 2 OMe) 3 ] ( 1 ) with LiBu t , NaCH 2 Ph and KCH 2 Ph, resp. X-ray crystallographic studies and DFT calculations in the gas-phase, including calculations of the NPA charges confirm the zwitterionic nature of these compounds, with the alkali metal cations being rigidly locked and charge separated from the anion by the internal OCH 2 CH 2 OMe donor groups. Natural bond orbital (NBO) analysis and the second order perturbation theory analysis of the NBOs reveal significant hyperconjugative interactions in M- 1 -M- 3 , primarily between the lone pair and the antibonding Si-O orbitals, the extent of which decreases in the order M- 1 > M- 2 > M- 3 . The experimental basicities and the calculated gas-phase basicities of M- 1 -M- 3 reveal the zwitterionic alkali metal methanides M- 1 to be significantly stronger bases than the analogous silanides M- 2 and germanium M- 3 .

  5. The combination of IL-21 and IFN-alpha boosts STAT3 activation, cytotoxicity and experimental tumor therapy

    DEFF Research Database (Denmark)

    Eriksen, Karsten W; Søndergaard, Henrik; Woetmann, Anders

    2008-01-01

    such as IFN-alpha and IL-2 have multiple and severe side effects. Accordingly, they are generally used at sub-optimal doses, which limit their clinical efficacy. Here we hypothesized that a combination of IFN-alpha and IL-21, a novel cytokine of the IL-2 family with anti-cancer effects, will increase the anti......-cancer efficacy at sub-optimal cytokine doses. We show that the combined stimulation of target-cells with IFN-alpha and IL-21 triggers an increased STAT3 activation whereas the activation of other STATs including STAT1/2 is unaffected. In parallel, the combined stimulation with IFN-alpha and IL-21 triggers...... a selective increase in MHC class I expression and NK- and CD8(+) T-cell-mediated cytotoxicity. In an experimental in vivo model of renal carcinoma, the combined treatment of IFN-alpha and IL-21 also produces a significant anti-cancer effect as judged by an inhibition of tumor growth and an increased survival...

  6. Some considerations concerning the theory of combined toxicity: a case study of subchronic experimental intoxication with cadmium and lead.

    Science.gov (United States)

    Varaksin, Anatoly N; Katsnelson, Boris A; Panov, Vladimir G; Privalova, Larisa I; Kireyeva, Ekaterina P; Valamina, Irene E; Beresneva, Olga Yu

    2014-02-01

    Rats were exposed intraperitoneally (3 times a week up to 20 injections) to either Cadmium and Lead salts in doses equivalent to their 0.05 LD50 separately or combined in the same or halved doses. Toxic effects were assessed by more than 40 functional, biochemical and morphometric indices. We analysed the results obtained aiming at determination of the type of combined toxicity using either common sense considerations based on descriptive statistics or two mathematical models based (a) on ANOVA and (b) on Mathematical Theory of Experimental Design, which correspond, respectively, to the widely recognised paradigms of effect additivity and dose additivity. Nevertheless, these approaches have led us unanimously to the following conclusions: (1) The above paradigms are virtually interchangeable and should be regarded as different methods of modelling the combined toxicity rather than as reflecting fundamentally differing processes. (2) Within both models there exist not merely three traditionally used types of combined toxicity (additivity, subadditivity and superadditivity) but at least 10 variants of it depending on exactly which effect is considered and on its level, as well as on the dose levels and their ratio. Copyright © 2013 Elsevier Ltd. All rights reserved.

  7. Microbial and Organic Fine Particle Transport Dynamics in Streams - a Combined Experimental and Stochastic Modeling Approach

    Science.gov (United States)

    Drummond, Jen; Davies-Colley, Rob; Stott, Rebecca; Sukias, James; Nagels, John; Sharp, Alice; Packman, Aaron

    2014-05-01

    Transport dynamics of microbial cells and organic fine particles are important to stream ecology and biogeochemistry. Cells and particles continuously deposit and resuspend during downstream transport owing to a variety of processes including gravitational settling, interactions with in-stream structures or biofilms at the sediment-water interface, and hyporheic exchange and filtration within underlying sediments. Deposited cells and particles are also resuspended following increases in streamflow. Fine particle retention influences biogeochemical processing of substrates and nutrients (C, N, P), while remobilization of pathogenic microbes during flood events presents a hazard to downstream uses such as water supplies and recreation. We are conducting studies to gain insights into the dynamics of fine particles and microbes in streams, with a campaign of experiments and modeling. The results improve understanding of fine sediment transport, carbon cycling, nutrient spiraling, and microbial hazards in streams. We developed a stochastic model to describe the transport and retention of fine particles and microbes in rivers that accounts for hyporheic exchange and transport through porewaters, reversible filtration within the streambed, and microbial inactivation in the water column and subsurface. This model framework is an advance over previous work in that it incorporates detailed transport and retention processes that are amenable to measurement. Solute, particle, and microbial transport were observed both locally within sediment and at the whole-stream scale. A multi-tracer whole-stream injection experiment compared the transport and retention of a conservative solute, fluorescent fine particles, and the fecal indicator bacterium Escherichia coli. Retention occurred within both the underlying sediment bed and stands of submerged macrophytes. The results demonstrate that the combination of local measurements, whole-stream tracer experiments, and advanced modeling

  8. Combined experimental and theoretical investigation of interactions between kaolinite inner surface and intercalated dimethyl sulfoxide

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shuai [School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083 (China); Liu, Qinfu, E-mail: lqf@cumtb.edu.cn [School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083 (China); Cheng, Hongfei [School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083 (China); Zeng, Fangui [Department of Earth Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China)

    2015-03-15

    Graphical abstract: Snapshot of the kaolinite–DMSO system after equilibrium is reached. - Highlights: • Dimethyl sulfoxide arranges a monolayer structure between kaolinite layers. • Weak hydrogen bonds exist between methyl groups of dimethyl sulfoxide and kaolinite silica layer. • Intercalated dimethyl sulfoxide forms strong hydrogen bonds with kaolinite alumina layer. - Abstract: Kaolinite intercalation complex with dimethyl sulfoxide (DMSO) was investigated by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and thermogravimetry–differential scanning calorimetry (TG–DSC) combined with molecular dynamics simulation. The bands assigned to the OH stretching of inner surface of kaolinite were significantly perturbed after intercalation of DMSO into kaolinite. Additionally, the bands attributed to the vibration of gibbsite-like layers of kaolinite shifted to the lower wave number, indicating that the intercalated DMSO were strongly hydrogen bonded to the alumina octahedral surface of kaolinite. The slightly decreased intensity of 1031 cm{sup −1} and 1016 cm{sup −1} band due to the in-plane vibration of Si−O of kaolinite revealed that some DMSO molecules formed weak hydrogen bonds with the silicon tetrahedral surface of kaolinite. Based on the TG result of kaolinite–DMSO intercalation complex, the formula of A1{sub 2}Si{sub 2}O{sub 5}(OH){sub 4}(DMSO){sub 0.7} was obtained, with which the kaolinite–DMSO complex model was constructed. The molecular dynamics simulation of kaolinite–DMSO complex directly confirmed the monolayer structure of DMSO in interlayer space of kaolinite, where the DMSO arranged almost parallel with kaolinite basal surface with all methyl groups being distributed near the interlayer midplane and oxygen atoms orienting toward to the alumina octahedral surface. The radial distribution function between kaolinite and intercalated DMSO verified the strong hydrogen bonds forming between hydroxyl hydrogen

  9. Protein thermal stability enhancement by designing salt bridges: a combined computational and experimental study.

    Directory of Open Access Journals (Sweden)

    Chi-Wen Lee

    Full Text Available Protein thermal stability is an important factor considered in medical and industrial applications. Many structural characteristics related to protein thermal stability have been elucidated, and increasing salt bridges is considered as one of the most efficient strategies to increase protein thermal stability. However, the accurate simulation of salt bridges remains difficult. In this study, a novel method for salt-bridge design was proposed based on the statistical analysis of 10,556 surface salt bridges on 6,493 X-ray protein structures. These salt bridges were first categorized based on pairing residues, secondary structure locations, and Cα-Cα distances. Pairing preferences generalized from statistical analysis were used to construct a salt-bridge pair index and utilized in a weighted electrostatic attraction model to find the effective pairings for designing salt bridges. The model was also coupled with B-factor, weighted contact number, relative solvent accessibility, and conservation prescreening to determine the residues appropriate for the thermal adaptive design of salt bridges. According to our method, eight putative salt-bridges were designed on a mesophilic β-glucosidase and 24 variants were constructed to verify the predictions. Six putative salt-bridges leaded to the increase of the enzyme thermal stability. A significant increase in melting temperature of 8.8, 4.8, 3.7, 1.3, 1.2, and 0.7°C of the putative salt-bridges N437K-D49, E96R-D28, E96K-D28, S440K-E70, T231K-D388, and Q277E-D282 was detected, respectively. Reversing the polarity of T231K-D388 to T231D-D388K resulted in a further increase in melting temperatures by 3.6°C, which may be caused by the transformation of an intra-subunit electrostatic interaction into an inter-subunit one depending on the local environment. The combination of the thermostable variants (N437K, E96R, T231D and D388K generated a melting temperature increase of 15.7°C. Thus, this study

  10. Combination of 2D/3D ligand-based similarity search in rapid virtual screening from multimillion compound repositories. Selection and biological evaluation of potential PDE4 and PDE5 inhibitors.

    Science.gov (United States)

    Dobi, Krisztina; Hajdú, István; Flachner, Beáta; Fabó, Gabriella; Szaszkó, Mária; Bognár, Melinda; Magyar, Csaba; Simon, István; Szisz, Dániel; Lőrincz, Zsolt; Cseh, Sándor; Dormán, György

    2014-05-28

    Rapid in silico selection of target focused libraries from commercial repositories is an attractive and cost effective approach. If structures of active compounds are available rapid 2D similarity search can be performed on multimillion compound databases but the generated library requires further focusing by various 2D/3D chemoinformatics tools. We report here a combination of the 2D approach with a ligand-based 3D method (Screen3D) which applies flexible matching to align reference and target compounds in a dynamic manner and thus to assess their structural and conformational similarity. In the first case study we compared the 2D and 3D similarity scores on an existing dataset derived from the biological evaluation of a PDE5 focused library. Based on the obtained similarity metrices a fusion score was proposed. The fusion score was applied to refine the 2D similarity search in a second case study where we aimed at selecting and evaluating a PDE4B focused library. The application of this fused 2D/3D similarity measure led to an increase of the hit rate from 8.5% (1st round, 47% inhibition at 10 µM) to 28.5% (2nd round at 50% inhibition at 10 µM) and the best two hits had 53 nM inhibitory activities.

  11. MediPlEx - a tool to combine in silico & experimental gene expression profiles of the model legume Medicago truncatula

    Directory of Open Access Journals (Sweden)

    Stutz Leonhard J

    2010-10-01

    Full Text Available Abstract Background Expressed Sequence Tags (ESTs are in general used to gain a first insight into gene activities from a species of interest. Subsequently, and typically based on a combination of EST and genome sequences, microarray-based expression analyses are performed for a variety of conditions. In some cases, a multitude of EST and microarray experiments are conducted for one species, covering different tissues, cell states, and cell types. Under these circumstances, the challenge arises to combine results derived from the different expression profiling strategies, with the goal to uncover novel information on the basis of the integrated datasets. Findings Using our new analysis tool, MediPlEx (MEDIcago truncatula multiPLe EXpression analysis, expression data from EST experiments, oligonucleotide microarrays and Affymetrix GeneChips® can be combined and analyzed, leading to a novel approach to integrated transcriptome analysis. We have validated our tool via the identification of a set of well-characterized AM-specific and AM-induced marker genes, identified by MediPlEx on the basis of in silico and experimental gene expression profiles from roots colonized with AM fungi. Conclusions MediPlEx offers an integrated analysis pipeline for different sets of expression data generated for the model legume Medicago truncatula. As expected, in silico and experimental gene expression data that cover the same biological condition correlate well. The collection of differentially expressed genes identified via MediPlEx provides a starting point for functional studies in plant mutants. MediPlEx can freely be used at http://www.cebitec.uni-bielefeld.de/mediplex.

  12. Lipoic Acid and Progesterone Alone or in Combination Ameliorate Retinal Degeneration in an Experimental Model of Hereditary Retinal Degeneration

    Directory of Open Access Journals (Sweden)

    Dolores T. Ramírez-Lamelas

    2018-05-01

    Full Text Available Retinitis pigmentosa (RP is a group of inherited retinopathies characterized by photoreceptors death. Our group has shown the positive progesterone (P4 actions on cell death progression in an experimental model of RP. In an effort to enhance the beneficial effects of P4, the aim of this study was to combine P4 treatment with an antioxidant [lipoic acid (LA] in the rd1 mice. rd1 and control mice were treated with 100 mg/kg body weight of P4, LA, or a combination of both on postnatal day 7 (PN7, 9, and 11, and were sacrificed at PN11. The administration of LA and/or P4 diminishes cell death in rd1 retinas. The effect obtained after the combined administration of LA and P4 is higher than the one obtained with LA or P4 alone. The three treatments decreased GFAP staining, however, in the far peripheral retina, and the two treatments that offered better results were LA and LA plus P4. LA or LA plus P4 increased retinal glutathione (GSH concentration in the rd1 mice. Although LA and P4 are able to protect photoreceptors from death in rd1 mice retinas, a better effectiveness is achieved when administering LA and P4 at the same time.

  13. Measurements of combined neutron and photon fluxes for the accurate characterization of the future Jules Horowitz irradiation reactor experimental conditions

    International Nuclear Information System (INIS)

    Fourmentel, D.

    2013-01-01

    A new Material Testing Reactor (MTR), the Jules Horowitz Reactor (JHR), is under construction at the CEA Cadarache (French Alternatives Energies and Atomic Energy Commission). From 2016 this new MTR will be a new facility for the nuclear research on materials and fuels. The quality of the experiments to be conducted in this reactor is largely linked to the good knowledge of the irradiation conditions. Since 2009, a new research program called IN-CORE1 'Instrumentation for Nuclear radiations and Calorimetry Online in Reactor' is under progress between CEA and Aix-Marseille University in the framework of a joint laboratory LIMMEX2. This program aims to improve knowledge of the neutron and photon fluxes in the RJH core, with one hand, an innovative instrumentation performing mapping of experimental locations, and on the other hand by coupling neutron flux, photon flux and thermal measurements. Neutron flux expected in the JHR core is about 10 15 n.cm -2 .s -1 and nuclear heating up to 20 W.g -1 for a nominal power of 100 MWth. One of the challenges is to identify sensors able to measure such fluxes in JHR experimental conditions and to determine how to analyse the signals delivered by these sensors with the most appropriate methods. The thesis is part of this ambitious program and aims to study the potential and the interest of the combination of radiation measurements in the prospect of a better assessment of the levels of neutron flux, gamma radiation and nuclear heating in the JHR experimental locations. The first step of IN-CORE program is to develop and operate an instrumented device called CARMEN-1 adapted to the mapping of the OSIRIS reactor, then to develop a second version called CARMEN-2 dedicated to experiments in the JHR core, especially for its start-up. This experiment was the opportunity to test all the radiation sensors which could meet the needs of JHR, including recently developed sensors. Reference neutron measurements are performed by activation

  14. A combined experimental and numerical study on upper airway dosimetry of inhaled nanoparticles from an electrical discharge machine shop.

    Science.gov (United States)

    Tian, Lin; Shang, Yidan; Chen, Rui; Bai, Ru; Chen, Chunying; Inthavong, Kiao; Tu, Jiyuan

    2017-07-12

    Exposure to nanoparticles in the workplace is a health concern to occupational workers with increased risk of developing respiratory, cardiovascular, and neurological disorders. Based on animal inhalation study and human lung tumor risk extrapolation, current authoritative recommendations on exposure limits are either on total mass or number concentrations. Effects of particle size distribution and the implication to regional airway dosages are not elaborated. Real time production of particle concentration and size distribution in the range from 5.52 to 98.2 nm were recorded in a wire-cut electrical discharge machine shop (WEDM) during a typical working day. Under the realistic exposure condition, human inhalation simulations were performed in a physiologically realistic nasal and upper airway replica. The combined experimental and numerical study is the first to establish a realistic exposure condition, and under which, detailed dose metric studies can be performed. In addition to mass concentration guided exposure limit, inhalation risks to nano-pollutant were reexamined accounting for the actual particle size distribution and deposition statistics. Detailed dosimetries of the inhaled nano-pollutants in human nasal and upper airways with respect to particle number, mass and surface area were discussed, and empirical equations were developed. An astonishing enhancement of human airway dosages were detected by current combined experimental and numerical study in the WEDM machine shop. Up to 33 folds in mass, 27 folds in surface area and 8 folds in number dosages were detected during working hours in comparison to the background dosimetry measured at midnight. The real time particle concentration measurement showed substantial emission of nano-pollutants by WEDM machining activity, and the combined experimental and numerical study provided extraordinary details on human inhalation dosimetry. It was found out that human inhalation dosimetry was extremely sensitive

  15. Therapeutic effects of Sophora moorcroftiana alkaloids in combination with albendazole in mice experimentally infected with protoscolices of Echinococcus granulosus

    Directory of Open Access Journals (Sweden)

    X.M. Ma

    2007-10-01

    Full Text Available The objective of the present study was to determine if the combination of alkaloids from Sophora moorcroftiana seeds and albendazole might be effective in the treatment of experimental echinococcosisin female NIH mice (6 weeks old and weighing 18-20 g, N = 8 in each group infected withprotoscolices of Echinococcus granulosus. Viable protoscolices (N = 6 x 103 were cultured in vitro in 1640 medium and mortality was calculated daily. To determine the in vivo efficacy, mice were inoculated intraperitoneally with viable protoscolices and then treated once daily by gavage for three months with the alkaloids (50 mg kg-1 day-1 and albendazole (50 mg kg-1 day-1, separately and in combination (both alkaloids at 25 mg kg-1 day-1 and albendazole at 25 mg kg-1 day-1. Next, the hydatid cysts collected from the peritoneal cavity of the animals were weighed and serum IL-4, IL-2, and IgE levels were analyzed. Administration of alkaloids to cultured protoscolices showed significant dose- and time-dependent killing effects. The weight of hydatid cysts was significantly decreased upon treatment with each drug (P < 0.01, but the decrease was more prominent and the rate of hydatid cyst growth inhibition was much higher (76.1% in the group receiving the combined treatments (18.3 ± 4.6 mg. IL-4 and total IgE were decreased (939 ± 447 pg/mL and 2.03 ± 0.42 IU/mL, respectively in serum from mice treated with alkaloids and albendazole compared with the untreated control (1481 ± 619 pg/mL and 3.31 ± 0.37 IU/mL; P < 0.01. These results indicate that S. moorcroftiana alkaloids have protoscolicidal effects and the combination of alkaloids and albendazole has significant additive effects.

  16. Granulocyte Colony-Stimulating Factor Combined with Methylprednisolone Improves Functional Outcomes in Rats with Experimental Acute Spinal Cord Injury

    Directory of Open Access Journals (Sweden)

    William Gemio Jacobsen Teixeira

    2018-02-01

    Full Text Available OBJECTIVES: To evaluate the effects of combined treatment with granulocyte colony-stimulating factor (G-CSF and methylprednisolone in rats subjected to experimental spinal cord injury. METHODS: Forty Wistar rats received a moderate spinal cord injury and were divided into four groups: control (no treatment; G-CSF (G-CSF at the time of injury and daily over the next five days; methylprednisolone (methylprednisolone for 24 h; and G-CSF/Methylprednisolone (methylprednisolone for 24 h and G-CSF at the time of injury and daily over the next five days. Functional evaluation was performed using the Basso, Beattie and Bresnahan score on days 2, 7, 14, 21, 28, 35 and 42 following injury. Motor-evoked potentials were evaluated. Histological examination of the spinal cord lesion was performed immediately after euthanasia on day 42. RESULTS: Eight animals were excluded (2 from each group due to infection, a normal Basso, Beattie and Bresnahan score at their first evaluation, or autophagy, and 32 were evaluated. The combination of methylprednisolone and G-CSF promoted greater functional improvement than methylprednisolone or G-CSF alone (p<0.001. This combination also exhibited a synergistic effect, with improvements in hyperemia and cellular infiltration at the injury site (p<0.001. The groups displayed no neurophysiological differences (latency p=0.85; amplitude p=0.75. CONCLUSION: Methylprednisolone plus G-CSF promotes functional and histological improvements superior to those achieved by either of these drugs alone when treating spinal cord contusion injuries in rats. Combining the two drugs did have a synergistic effect.

  17. Screening of metal-organic frameworks for carbon dioxide capture from flue gas using a combined experimental and modeling approach.

    Science.gov (United States)

    Yazaydin, A Ozgür; Snurr, Randall Q; Park, Tae-Hong; Koh, Kyoungmoo; Liu, Jian; Levan, M Douglas; Benin, Annabelle I; Jakubczak, Paulina; Lanuza, Mary; Galloway, Douglas B; Low, John J; Willis, Richard R

    2009-12-30

    A diverse collection of 14 metal-organic frameworks (MOFs) was screened for CO(2) capture from flue gas using a combined experimental and modeling approach. Adsorption measurements are reported for the screened MOFs at room temperature up to 1 bar. These data are used to validate a generalized strategy for molecular modeling of CO(2) and other small molecules in MOFs. MOFs possessing a high density of open metal sites are found to adsorb significant amounts of CO(2) even at low pressure. An excellent correlation is found between the heat of adsorption and the amount of CO(2) adsorbed below 1 bar. Molecular modeling can aid in selection of adsorbents for CO(2) capture from flue gas by screening a large number of MOFs.

  18. An experimental investigation of heat transfer enhancement in minichannel: Combination of nanofluid and micro fin structure techniques

    DEFF Research Database (Denmark)

    Zhang, Ji; Diao, Yanhua; Zhao, Yaohua

    2017-01-01

    This work experimentally studied the single-phase heat transfer and pressure drop characteristics by using two heat transfer enhancement techniques (micro fin structure and nanofluids) in multiport minichannel flat tube (MMFT). MMFT consisted of numerous parallel rectangular minichannels...... and is widely used in industry as the heat transfer unit of a heat exchanger. Firstly, the enhanced heat transfer performances by individually using one enhancement technique were investigated by testing Nusselt number, friction factor and performance evaluation criterion (PEC). In this section, five MMFTs...... with different micro fin numbers (N = 0, 1, 2, 3 and 4) and nanofluids with three volume concentrations (φ = 0.005%, 0.01% and 0.1%) were used as test sections and working fluids respectively. Secondly, the experiments using two combined enhancement technique were performed. By using conjunctively two...

  19. Examination of dexamethasone sodium sulfate and hyperbaric oxygenation in experimentally produced cerebral edema. With special reference to their combination

    Energy Technology Data Exchange (ETDEWEB)

    Kanaya, H; Onodera, H; Watanabe, M; Kamata, K [Iwate Medical Coll., Morioka (Japan). School of Medicine

    1975-06-01

    Dexamethasone sodium sulfate and hyperbaric oxygenation were used for experimentally produced cerebral edema for the examination of the water content of the brain and cerebrovascular permeability using /sup 203/Hg as the tracer. Although dexamethasone starts lowering vascular permeability of the edematous brain at one hour after the intravenous injection, a lapse of 24 hours is required until the water content returns to normal. Although hyperbaric oxygenation dose not reduce cerebrovascular permeability, it brings back the water content of the brain to normal immediately after pressurization. Since the combination of dexamethasone and hyperbaric oxygenation maintains the water content of the brain almost normal throughout the entire process, it is ideal for the treatment of cerebral edema.

  20. A combined experimental and theoretical approach to establish the relationship between shear force and clay platelet delamination in melt-processed polypropylene nanocomposites

    CSIR Research Space (South Africa)

    Bandyopadhyay, J

    2014-04-01

    Full Text Available In this article, a combined experimental and theoretical approach has been proposed to establish a relationship between the required shear force and the degree of delamination of clay tactoids during the melt-processing of polymer nanocomposites...

  1. Experimental Investigation of Space Radiation Processing in Lunar Soil Ilmenite: Combining Perspectives from Surface Science and Transmission Electron Microscopy

    Science.gov (United States)

    Christoffersen, R.; Keller, L. P.; Rahman, Z.; Baragiola, R.

    2010-01-01

    Energetic ions mostly from the solar wind play a major role in lunar space weathering because they contribute structural and chemical changes to the space-exposed surfaces of lunar regolith grains. In mature mare soils, ilmenite (FeTiO3) grains in the finest size fraction have been shown in transmission electron microscope (TEM) studies to exhibit key differences in their response to space radiation processing relative to silicates [1,2,3]. In ilmenite, solar ion radiation alters host grain outer margins to produce 10-100 nm thick layers that are microstructurally complex, but dominantly crystalline compared to the amorphous radiation-processed rims on silicates [1,2,3]. Spatially well-resolved analytical TEM measurements also show nm-scale compositional and chemical state changes in these layers [1,3]. These include shifts in Fe/Ti ratio from strong surface Fe-enrichment (Fe/Ti >> 1), to Fe depletion (Fe/Ti < 1) at 40-50 nm below the grain surface [1,3]. These compositional changes are not observed in the radiation-processed rims on silicates [4]. Several mechanism(s) to explain the overall relations in the ilmenite grain rims by radiation processing and/or additional space weathering processes were proposed by [1], and remain under current consideration [3]. A key issue has concerned the ability of ion radiation processing alone to produce some of the deeper- penetrating compositional changes. In order to provide some experimental constraints on these questions, we have performed a combined X-ray photoelectron spectroscopy (XPS) and field-emission scanning transmission electron (FE-STEM) study of experimentally ion-irradiated ilmenite. A key feature of this work is the combination of analytical techniques sensitive to changes in the irradiated samples at depth scales going from the immediate surface (approx.5 nm; XPS), to deeper in the grain interior (5-100 nm; FE-STEM).

  2. micro-mechanical experimental investigation and modelling of strain and damage of argillaceous rocks under combined hydric and mechanical loads

    International Nuclear Information System (INIS)

    Wang, L.

    2012-01-01

    The hydro-mechanical behavior of argillaceous rocks, which are possible host rocks for underground radioactive nuclear waste storage, is investigated by means of micro-mechanical experimental investigations and modellings. Strain fields at the micrometric scale of the composite structure of this rock, are measured by the combination of environmental scanning electron microscopy, in situ testing and digital image correlation technique. The evolution of argillaceous rocks under pure hydric loading is first investigated. The strain field is strongly heterogeneous and manifests anisotropy. The observed nonlinear deformation at high relative humidity (RH) is related not only to damage, but also to the nonlinear swelling of the clay mineral itself, controlled by different local mechanisms depending on RH. Irreversible deformations are observed during hydric cycles, as well as a network of microcracks located in the bulk of the clay matrix and/or at the inclusion-matrix interface. Second, the local deformation field of the material under combined hydric and mechanical loadings is quantified. Three types of deformation bands are evidenced under mechanical loading, either normal to stress direction (compaction), parallel (microcracking) or inclined (shear). Moreover, they are strongly controlled by the water content of the material: shear bands are in particular prone to appear at high RH states. In view of understanding the mechanical interactions a local scale, the material is modeled as a composite made of non-swelling elastic inclusions embedded in an elastic swelling clay matrix. The internal stress field induced by swelling strain incompatibilities between inclusions and matrix, as well as the overall deformation, is numerically computed at equilibrium but also during the transient stage associated with a moisture gradient. An analytical micro-mechanical model based on Eshelby's solution is proposed. In addition, 2D finite element computations are performed. Results

  3. Colour change in biferroic YCrO_3 under high pressure: a combined experimental and density functional theory investigation

    International Nuclear Information System (INIS)

    Chakraborty, Brahmananda; Mall, Ashish Kumar; Gupta, Rajeev; Chitnis, Abhishek; Garg, Nandini; Ramaniah, Lavanya M.; Sharma, Surinder M.

    2016-01-01

    Biferroic materials find potential applications in various technological fields due to their simultaneous ferroelectric and ferromagnetic ordering. Yttrium chromite (YCrO_3) is found to be a biferroic having orthorhombic structure with Pnma space group. Combining both experiment and density functional theory (DFT), we have investigated the high pressure behaviour of YCrO_3 up to 100 GPa. We have observed a colour change in YCrO_3 from yellow-green to red at pressures larger than 40 GPa, which can be correlated with reduction in band gap under pressure. Present experimental data seems to suggest no structural transition upto 100 GPa. All the calculations are carried out using the DFT based projector augmented wave (PAW) method as implemented in the VASP code. As DFT has a limitation in predicting the correct band gap, we have employed the GGA+U method to compute the band gap. The computed band gap of 2.33 eV in ambient condition is close to the experimental value of 2.4 eV. The X-ray diffraction experiments were carried out in an indigenously designed diamond anvil cell

  4. Acid-base properties of the N3 ruthenium(II) solar cell sensitizer: a combined experimental and computational analysis.

    Science.gov (United States)

    Pizzoli, Giuliano; Lobello, Maria Grazia; Carlotti, Benedetta; Elisei, Fausto; Nazeeruddin, Mohammad K; Vitillaro, Giuseppe; De Angelis, Filippo

    2012-10-14

    We report a combined spectro-photometric and computational investigation of the acid-base equilibria of the N3 solar cell sensitizer [Ru(dcbpyH(2))(2)(NCS)(2)] (dcbpyH(2) = 4,4'-dicarboxyl-2,2' bipyridine) in aqueous/ethanol solutions. The absorption spectra of N3 recorded at various pH values were analyzed by Single Value Decomposition techniques, followed by Global Fitting procedures, allowing us to identify four separate acid-base equilibria and their corresponding ground state pK(a) values. DFT/TDDFT calculations were performed for the N3 dye in solution, investigating the possible relevant species obtained by sequential deprotonation of the four dye carboxylic groups. TDDFT excited state calculations provided UV-vis absorption spectra which nicely agree with the experimental spectral shapes at various pH values. The calculated pK(a) values are also in good agreement with experimental data, within <1 pK(a) unit. Based on the calculated energy differences a tentative assignment of the N3 deprotonation pathway is reported.

  5. Combining Simulated and Experimental Data to Simulate Ultrasonic Array Data From Defects in Materials With High Structural Noise.

    Science.gov (United States)

    Bloxham, Harry A; Velichko, Alexander; Wilcox, Paul David

    2016-12-01

    Ultrasonic nondestructive testing inspections using phased arrays are performed on a wide range of components and materials. All real inspections suffer, to varying extents, from coherent noise, including image artifacts and speckle caused by complex geometries and grain scatter, respectively. By its nature, this noise is not reduced by averaging; however, it degrades the signal-to-noise ratio of defects and ultimately limits their detectability. When evaluating the effectiveness of an inspection, a large pool of data from samples containing a range of different defects are important to estimate the probability of detection of defects and to help characterize them. For a given inspection, coherent noise is easy to measure experimentally but hard to model realistically. Conversely, the ultrasonic response of defects can be simulated relatively easily. This paper proposes a novel method of simulating realistic array data by combining noise-free simulations of defect responses with coherent noise taken from experimental data. This removes the need for costly physical samples with known defects to be made and allows for large data sets to be created easily.

  6. Predicting Transport of 3,5,6-Trichloro-2-Pyridinol Into Saliva Using a Combination Experimental and Computational Approach

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Jordan Ned; Carver, Zana A.; Weber, Thomas J.; Timchalk, Charles

    2017-04-11

    A combination experimental and computational approach was developed to predict chemical transport into saliva. A serous-acinar chemical transport assay was established to measure chemical transport with non-physiological (standard cell culture medium) and physiological (using surrogate plasma and saliva medium) conditions using 3,5,6-trichloro-2-pyridinol (TCPy) a metabolite of the pesticide chlorpyrifos. High levels of TCPy protein binding was observed in cell culture medium and rat plasma resulting in different TCPy transport behaviors in the two experimental conditions. In the non-physiological transport experiment, TCPy reached equilibrium at equivalent concentrations in apical and basolateral chambers. At higher TCPy doses, increased unbound TCPy was observed, and TCPy concentrations in apical and basolateral chambers reached equilibrium faster than lower doses, suggesting only unbound TCPy is able to cross the cellular monolayer. In the physiological experiment, TCPy transport was slower than non-physiological conditions, and equilibrium was achieved at different concentrations in apical and basolateral chambers at a comparable ratio (0.034) to what was previously measured in rats dosed with TCPy (saliva:blood ratio: 0.049). A cellular transport computational model was developed based on TCPy protein binding kinetics and accurately simulated all transport experiments using different permeability coefficients for the two experimental conditions (1.4 vs 0.4 cm/hr for non-physiological and physiological experiments, respectively). The computational model was integrated into a physiologically based pharmacokinetic (PBPK) model and accurately predicted TCPy concentrations in saliva of rats dosed with TCPy. Overall, this study demonstrates an approach to predict chemical transport in saliva potentially increasing the utility of salivary biomonitoring in the future.

  7. Optimisation of the energy efficiency of bread-baking ovens using a combined experimental and computational approach

    International Nuclear Information System (INIS)

    Khatir, Zinedine; Paton, Joe; Thompson, Harvey; Kapur, Nik; Toropov, Vassili

    2013-01-01

    Highlights: ► A scientific framework for optimising oven operating conditions is presented. ► Experiments measuring local convective heat transfer coefficient are undertaken. ► An energy efficiency model is developed with experimentally calibrated CFD analysis. ► Designing ovens with optimum heat transfer coefficients reduces energy use. ► Results demonstrate a strong case to design and manufacture energy optimised ovens. - Abstract: Changing legislation and rising energy costs are bringing the need for efficient baking processes into much sharper focus. High-speed air impingement bread-baking ovens are complex systems using air flow to transfer heat to the product. In this paper, computational fluid dynamics (CFD) is combined with experimental analysis to develop a rigorous scientific framework for the rapid generation of forced convection oven designs. A design parameterisation of a three-dimensional generic oven model is carried out for a wide range of oven sizes and flow conditions to optimise desirable features such as temperature uniformity throughout the oven, energy efficiency and manufacturability. Coupled with the computational model, a series of experiments measuring the local convective heat transfer coefficient (h c ) are undertaken. The facility used for the heat transfer experiments is representative of a scaled-down production oven where the air temperature and velocity as well as important physical constraints such as nozzle dimensions and nozzle-to-surface distance can be varied. An efficient energy model is developed using a CFD analysis calibrated using experimentally determined inputs. Results from a range of oven designs are presented together with ensuing energy usage and savings

  8. Predicting Transport of 3,5,6-Trichloro-2-Pyridinol Into Saliva Using a Combination Experimental and Computational Approach.

    Science.gov (United States)

    Smith, Jordan Ned; Carver, Zana A; Weber, Thomas J; Timchalk, Charles

    2017-06-01

    A combination experimental and computational approach was developed to predict chemical transport into saliva. A serous-acinar chemical transport assay was established to measure chemical transport with nonphysiological (standard cell culture medium) and physiological (using surrogate plasma and saliva medium) conditions using 3,5,6-trichloro-2-pyridinol (TCPy) a metabolite of the pesticide chlorpyrifos. High levels of TCPy protein binding were observed in cell culture medium and rat plasma resulting in different TCPy transport behaviors in the 2 experimental conditions. In the nonphysiological transport experiment, TCPy reached equilibrium at equivalent concentrations in apical and basolateral chambers. At higher TCPy doses, increased unbound TCPy was observed, and TCPy concentrations in apical and basolateral chambers reached equilibrium faster than lower doses, suggesting only unbound TCPy is able to cross the cellular monolayer. In the physiological experiment, TCPy transport was slower than nonphysiological conditions, and equilibrium was achieved at different concentrations in apical and basolateral chambers at a comparable ratio (0.034) to what was previously measured in rats dosed with TCPy (saliva:blood ratio: 0.049). A cellular transport computational model was developed based on TCPy protein binding kinetics and simulated all transport experiments reasonably well using different permeability coefficients for the 2 experimental conditions (1.14 vs 0.4 cm/h for nonphysiological and physiological experiments, respectively). The computational model was integrated into a physiologically based pharmacokinetic model and accurately predicted TCPy concentrations in saliva of rats dosed with TCPy. Overall, this study demonstrates an approach to predict chemical transport in saliva, potentially increasing the utility of salivary biomonitoring in the future. © The Author 2017. Published by Oxford University Press on behalf of the Society of Toxicology. All rights

  9. Experimental model of biofilm implant-related osteomyelitis to test combination biomaterials using biofilms as initial inocula.

    Science.gov (United States)

    Williams, Dustin L; Haymond, Bryan S; Woodbury, Kassie L; Beck, J Peter; Moore, David E; Epperson, R Tyler; Bloebaum, Roy D

    2012-07-01

    Currently, the majority of animal models that are used to study biofilm-related infections use planktonic bacterial cells as initial inocula to produce positive signals of infection in biomaterials studies. However, the use of planktonic cells has potentially led to inconsistent results in infection outcomes. In this study, well-established biofilms of methicillin-resistant Staphylococcus aureus were grown and used as initial inocula in an animal model of a Type IIIB open fracture. The goal of the work was to establish, for the first time, a repeatable model of biofilm implant-related osteomyelitis, wherein biofilms were used as initial inocula to test combination biomaterials. Results showed that 100% of animals that were treated with biofilms developed osteomyelitis, whereas 0% of animals not treated with biofilm developed infection. The development of this experimental model may lead to an important shift in biofilm and biomaterials research by showing that when biofilms are used as initial inocula, they may provide additional insights into how biofilm-related infections in the clinic develop and how they can be treated with combination biomaterials to eradicate and/or prevent biofilm formation. Copyright © 2012 Wiley Periodicals, Inc.

  10. A combined nonlinear and hysteresis model of shock absorber for quarter car simulation on the basis of experimental data

    Directory of Open Access Journals (Sweden)

    Vijay Barethiye

    2017-12-01

    Full Text Available Modeling dynamic characteristics of an automotive shock absorber is a challenging task due to its complex behavior. In the present paper, the nonparametric and hybrid approach is proposed to represent the nonlinear and hysteresis characteristics of the shock absorber. An experiment is carried out on a car damper utilizing INSTRON to obtain force-velocity characteristics of the shock absorber. The experimental data is used to devise two different models, namely, piecewise linear model and hysteresis model, to capture the damping properties of the absorber and for consequent use in simulations. The complexity involved due to certain physical phenomenon such as oil compressibility, gas entrapment etc. gives rise to hysteresis behavior and the present paper tries to model such behavior with the help of Neural Networks. Finally, a combined (hybrid shock absorber model (including the characteristics of both piecewise linear and hysteresis behavior is developed in Simulink and integrated into a quarter car simulation to verify its feasibility. The results generated by the combined (hybrid model are compared with linear as well as piecewise linear model and the comparison shows that the proposed model substantially a better option to study the vehicle characteristics more accurately and precisely.

  11. Combined treatment of municipal waste-water and landfill leachate by means of membrane bioreactor: an experimental study

    International Nuclear Information System (INIS)

    Iannelli, R.; Lizza, E.; Giraldi, D.

    2005-01-01

    This work presents the results of an experimental study focusing on the applicability of the membrane bioreactor technology for the combined treatment of municipal wastewater and landfill leachate. In the experiment we used both a micro-filtration unit and a traditional secondary settler in an innovative combined process that can present some economic advantages on the pure membrane separation, so as to evaluate and compare the efficiencies of the two adopted technologies. The experiment was carried out in two phases: first, we evaluated the system only with municipal wastewater; then we tested the treatment of a mixture of municipal wastewater and landfill leachate. We obtained good results in both cases for standard quality indicators (COD, TSS, NH 4 ), specific inorganic compounds such as Fe and Zn and microorganisms. The micro-filtrations unit had very good performances with respect to both treatment efficiency and hydraulic behaviour: after the first start-up period, we observed a regular running of the unit with no need for special chemical or mechanical treatment different from the ones adopted ordinarily in the MBR treatment systems [it

  12. Initial hazard screening for genotoxicity of photo-transformation products of ciprofloxacin by applying a combination of experimental and in-silico testing

    International Nuclear Information System (INIS)

    Toolaram, Anju Priya; Haddad, Tarek; Leder, Christoph; Kümmerer, Klaus

    2016-01-01

    Ciprofloxacin (CIP) is a broad-spectrum antibiotic found within μg/L concentration range in the aquatic environment. It is a known contributor of umuC induction in hospital wastewater samples. CIP can undergo photolysis to result in many transformation products (TPs) of mostly unknown toxicity. The aims of this study were to determine the genotoxicity of the UV mixtures and to understand the possible genotoxic role of the stable TPs. As such, CIP and its UV-irradiated mixtures were investigated in a battery of genotoxicity and cytotoxicity in vitro assays. The combination index (CI) analysis of residual CIP in the irradiated mixtures was performed for the umu assay. Further, Quantitative Structure–Activity Relationships (QSARs) predicted selected genotoxicity endpoints of the identified TPs. CIP achieved primary elimination after 128 min of irradiation but was not completely mineralized. Nine photo-TPs were identified. The irradiated mixtures were neither mutagenic in the Ames test nor genotoxic in the in vitro micronucleus (MN) test. Like CIP, the irradiated mixtures were umuC inducing. The CI analysis revealed that the irradiated mixtures and the corresponding CIP concentration in the mixtures shared similar umuC potentials. QSAR predictions suggested that the TPs may be capable of inducing chromosome aberration, MN in vivo, bacterial mutation and mammalian mutation. However, the experimental testing for a few genotoxic endpoints did not show significant genotoxic activity for the TPs present as a component of the whole mixture analysis and therefore, further genotoxic endpoints may need to be investigated to fully confirm this. - Highlights: • Identified photo-transformation products (TPs) retained the quinolone core. • Experimental and in silico tools assessed for genotoxicity of TPs in the mixtures. • Some of the TPs were predicted as genotoxic by QSAR analysis. • Irradiated mixtures were neither micronuclei inducing nor mutagenic in Ames test

  13. A combined high-temperature experimental and theoretical kinetic study of the reaction of dimethyl carbonate with OH radicals

    KAUST Repository

    Khaled, Fathi; Giri, Binod; Szőri, Milá n; Mai, Tam V.-T.; Huynh, Lam K.; Farooq, Aamir

    2017-01-01

    The reaction kinetics of dimethyl carbonate (DMC) and OH radicals were investigated behind reflected shock waves over the temperature range of 872-1295 K and at pressures near 1.5 atm. Reaction progress was monitored by detecting OH radicals at 306.69 nm using a UV laser absorption technique. The rate coefficients for the reaction of DMC with OH radicals were extracted using a detailed kinetic model developed by Glaude et al. (Proc. Combust. Inst. 2005, 30(1), 1111-1118). The experimental rate coefficients can be expressed in Arrhenius form as: kexpt'l = 5.15 × 10(13) exp(-2710.2/T) cm(3) mol(-1) s(-1). To explore the detailed chemistry of the DMC + OH reaction system, theoretical kinetic analyses were performed using high-level ab initio and master equation/Rice-Ramsperger-Kassel-Marcus (ME/RRKM) calculations. Geometry optimization and frequency calculations were carried out at the second-order Møller-Plesset (MP2) perturbation level of theory using Dunning's augmented correlation consistent-polarized valence double-ζ basis set (aug-cc-pVDZ). The energy was extrapolated to the complete basis set using single point calculations performed at the CCSD(T)/cc-pVXZ (where X = D, T) level of theory. For comparison purposes, additional ab initio calculations were also carried out using composite methods such as CBS-QB3, CBS-APNO, G3 and G4. Our calculations revealed that the H-abstraction reaction of DMC by OH radicals proceeds via an addition elimination mechanism in an overall exothermic process, eventually forming dimethyl carbonate radicals and H2O. Theoretical rate coefficients were found to be in excellent agreement with those determined experimentally. Rate coefficients for the DMC + OH reaction were combined with literature rate coefficients of four straight chain methyl ester + OH reactions to extract site-specific rates of H-abstraction from methyl esters by OH radicals.

  14. The structure and assembly of surface layer proteins : a combined approach of in silico and experimental methods

    International Nuclear Information System (INIS)

    Horejs, C.

    2011-01-01

    Self-assembly of matter is one of nature's most sophisticated strategies to organize molecules on a large scale and to create order from disorder. Surface (S-)layer proteins self-assemble in a highly reproducible and robust fashion in order to form crystalline layers that completely cover and protect prokaryotic cells. Long conserved during evolution, S-layers constitute a unique model system to study the molecular mechanisms of functional self-assembly, while additionally, they provide a basic matrix for the specific construction of ordered nanostructures. Due to their intrinsic capabilities to self-assemble into two-dimensional crystals, the elucidation of the three-dimensional structure of single S-layer proteins demands an approach beyond conventional structure determination methods. In this work, computer simulations were combined with experimental techniques in order to study the structure and intra- and intermolecular potentials guiding the proteins to self-assemble into lattices with different symmetries. Molecular dynamics, Monte Carlo methods, small-angle X-ray scattering involving a new theoretical description, and AFM-based single-molecule force spectroscopy yield new insights into the three-dimensional structure of S-layer proteins, the location, type and distribution of amino acids in S-layer lattices, the molecular mechanisms behind the self-assembly process, the mechanical stability and adaptive structural conformations that S-layer proteins are able to establish. In silico studies - embedded in an adequate experimental and theoretical scaffold - offer the possibility to calculate structural and thermodynamic features of proteins, while this work demonstrates the growing impact of such theoretical techniques in the fascinating field of biophysics at the nano-scale. (author) [de

  15. Combined steam and carbon dioxide reforming of methane and side reactions: Thermodynamic equilibrium analysis and experimental application

    International Nuclear Information System (INIS)

    Jang, Won-Jun; Jeong, Dae-Woon; Shim, Jae-Oh; Kim, Hak-Min; Roh, Hyun-Seog; Son, In Hyuk; Lee, Seung Jae

    2016-01-01

    Highlights: • Selected variables have a significant influence on yields of synthesis gas. • (CO_2 + H_2O)/CH_4 affects the temperature which can achieve the maximum conversion. • Coke is formed at low temperatures even with excess oxidizing agent. • The occurrence of RWGS becomes critical in real chemical reactions. • Equilibrium conversions are maintained for 500 h without detectable deactivation. - Abstract: Thermodynamic equilibrium analysis of the combined steam and carbon dioxide reforming of methane (CSCRM) and side reactions was performed using total Gibbs free energy minimization. The effects of (CO_2 + H_2O)/CH_4 ratio (0.9–2.9), CO_2:H_2O ratio (3:1–1:3), and temperature (500–1000 °C) on the equilibrium conversions, yields, coke yield, and H_2/CO ratio were investigated. A (CO_2 + H_2O)/CH_4 ratio greater than 1.2, a CO_2:H_2O ratio of 1:2.1, and a temperature of at least 850 °C are preferable reaction conditions for the synthesis gas preparation in the gas to liquid process. Simulated conditions were applied to the CSCRM reaction and the experimental data were compared with the thermodynamic equilibrium results. The thermodynamic equilibrium results were mostly consistent with the experimental data, but the reverse water gas shift reaction rapidly occurred in the real chemical reaction and under excess oxidizing agent conditions. In addition, a long-term stability test (under simulated conditions) showed that the equilibrium conversion was maintained for 500 h and that the coke formation on the used catalyst was not observed.

  16. Experimental Investigation of the Combined Effects of Heat Exchanger Geometries on Nucleate Pool Boiling Heat Transfer in a Scaled IRWST

    International Nuclear Information System (INIS)

    Kang, Myeong Gie; Chun, Moon Hyun

    1996-01-01

    In an effort to determine the combined effects of major parameters of heat exchanger tubes on the nucleate pool boiling heat transfer in the scaled in-containment refueling water storage tank (IRWST), a total of 1,966 data for q v ersus ΔT has been obtained using various combinations of tube diameters, surface roughness, and tube orientations. The experimental results show that (1) increased surface roughness enhances heat transfer for both horizontal and vertical tubes, (2) the two heat transfer mechanisms, i.e.,enhanced heat transfer for both horizontal and vertical tubes, (2) the two heat transfer mechanisms, i.e., enhanced heat transfer due to liquid agitation by bubbles generated and reduced heat transfer by the formation of large vapor slugs and bubble coalescence are different in two regions of low heat fluxes (q ≤ 50kW/m 2 ) and high heat fluxes (q > 50kW/m 2 ) depending on the orientation of tubes and the degree of surface roughness, and (3) the heat transfer rate decreases as the tube diameter is increased for both horizontal and vertical tubes, but the effect of tube diameter on the nucleate pool boiling heat transfer for vertical tubes is greater than that for horizontal tubes. Two empirical heat transfer correlations for q , one for horizontal tubes and the other for vertical tubes, are obtained in terms of surface roughness (ε) and tube diameter (D). In addition, a simple empirical correlation for nucleate pool boiling heat transfer coefficient (h b ) is obtained as a function of heat flux (q ) only. 9 figs., 4 tabs., 15 refs. (Author)

  17. Combined stent implantation and embolization with liquid 2-polyhydroxyethyl methacrylate for treatment of experimental canine wide-necked aneurysms

    Energy Technology Data Exchange (ETDEWEB)

    Klisch, J.; Zitt, J.; Schumacher, M. [Section of Neuroradiology, University of Freiburg (Germany); Schellhammer, F. [Department of Radiology, University of Cologne, Cologne (Germany); Scheufler, K.M. [Department of Neurosurgery, University of Freiburg (Germany); Pagenstecher, A. [Department of Neuropathology, University of Freiburg, Freiburg (Germany); Nagursky, H. [Department of Oral and Maxillofacial Surgery, University of Freiburg, Freiburg (Germany)

    2002-06-01

    The purpose of the study was the evaluation of 2-polyhydroxyethyl methacrylate (2-P-HEMA) for endovascular liquid embolization of experimental side-wall aneurysms following stent protection in a canine model. The swelling behaviour and polymerization characteristics of 2-P-HEMA in different solutions were investigated in vitro. Different methods for applications were tested in a latex aneurysm model under pulsatile flow conditions. Twenty broad-based carotid side-wall aneurysms were microsurgically produced in five dogs. Four weeks after surgery self-expandable nitinol stents were placed, covering the orifice of the aneurysms. 2-P-HEMA was injected via a microcatheter, which was positioned through the meshwork of the stent. Control angiography was performed immediately after treatment and after 1, 6 and 9 months. In-vivo stent placement succeeded in all but one case. Two aneurysms occluded spontaneously after stent placement. Combined embolization of 17 aneurysms using a stent and 2-P-HEMA was performed. Eleven aneurysms could be primarily completely occluded (65%). A small remaining neck was evident in six aneurysms. Efflux of 2-P-HEMA during the process of embolization was observed in seven aneurysms, due to an excess volume of 2-P-HEMA. The excessive 2-P-HEMA led to significant vessel stenosis in two cases. Two carotid arteries (three treated aneurysms) occluded after 1 month, due to insufficient anticoagulation management. Histological examination of embolized aneurysms revealed no foreign-body or inflammatory reaction. A smooth neo-intimal layer covered the stented vessel segment. Liquid embolization of side-wall aneurysms with 2-P-HEMA is technically feasible. Embolotherapy of aneurysms with liquid agents still has the risk that embolic material will exit even when it is stent-protected. To avoid this problem, stents with smaller strut diameter and/or additional balloon-protection are required. The inert 2-P-HEMA seems to be a promising agent for combining

  18. A Novel Hybrid Similarity Calculation Model

    Directory of Open Access Journals (Sweden)

    Xiaoping Fan

    2017-01-01

    Full Text Available This paper addresses the problems of similarity calculation in the traditional recommendation algorithms of nearest neighbor collaborative filtering, especially the failure in describing dynamic user preference. Proceeding from the perspective of solving the problem of user interest drift, a new hybrid similarity calculation model is proposed in this paper. This model consists of two parts, on the one hand the model uses the function fitting to describe users’ rating behaviors and their rating preferences, and on the other hand it employs the Random Forest algorithm to take user attribute features into account. Furthermore, the paper combines the two parts to build a new hybrid similarity calculation model for user recommendation. Experimental results show that, for data sets of different size, the model’s prediction precision is higher than the traditional recommendation algorithms.

  19. Determination of Actual Friction Factors in Metal Forming under Heavy Loaded Regimes Combining Experimental and Numerical Analysis

    Directory of Open Access Journals (Sweden)

    Ana María Camacho

    2016-09-01

    Full Text Available Tribological conditions can change drastically during heavy loaded regimes as experienced in metal forming; this is especially critical when lubrication can only be applied at the early stage of the process because the homogeneous lubricant layer can break along the die-workpiece interface. In these cases, adopting a constant friction factor for the lubricant-surface pair may not be a valid assumption. This paper presents a procedure based on the use of dual friction factor maps to determine friction factors employed in heavy loaded regimes. A finite element (FE simulation is used to obtain the friction factor map for the alloy UNS A96082. Experiments were conducted using four lubricants (aluminum anti-size, MoS2 grease, silicone oil, and copper paste to determine the actual friction curves. The experimental procedure is based on the application of lubricant only at the beginning of the first stage of ring compression, and not at intermediate stages as is usual in typical ring compression tests (RCTs. The results show that for small reductions (rh < 20%, the conventional RCT can be applied because the tribological conditions remain similar. For large reductions (rh > 20%, it is recommended to obtain an average value of the friction factor for every lubricant-surface pair in the range of deformation considered.

  20. Electron scattering at interfaces in nano-scale vertical interconnects: A combined experimental and ab initio study

    Science.gov (United States)

    Lanzillo, Nicholas A.; Restrepo, Oscar D.; Bhosale, Prasad S.; Cruz-Silva, Eduardo; Yang, Chih-Chao; Youp Kim, Byoung; Spooner, Terry; Standaert, Theodorus; Child, Craig; Bonilla, Griselda; Murali, Kota V. R. M.

    2018-04-01

    We present a combined theoretical and experimental study on the electron transport characteristics across several representative interface structures found in back-end-of-line interconnect stacks for advanced semiconductor manufacturing: Cu/Ta(N)/Co/Cu and Cu/Ta(N)/Ru/Cu. In particular, we evaluate the impact of replacing a thin TaN barrier with Ta while considering both Co and Ru as wetting layers. Both theory and experiment indicate a pronounced reduction in vertical resistance when replacing TaN with Ta, regardless of whether a Co or Ru wetting layer is used. This indicates that a significant portion of the total vertical resistance is determined by electron scattering at the Cu/Ta(N) interface. The electronic structure of these nano-sized interconnects is analyzed in terms of the atom-resolved projected density of states and k-resolved transmission spectra at the Fermi level. This work further develops a fundamental understanding of electron transport and material characteristics in nano-sized interconnects.

  1. Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation

    KAUST Repository

    Silver, Scott

    2018-02-13

    This study presents a combined experimental and theoretical study of the electronic structure of two 2D metal halide perovskite films. Ultraviolet and inverse photoemission spectroscopies are performed on solution-processed thin films of the n = 1 layered perovskite butylammonium lead iodide and bromide, BA2PbI4 and BA2PbBr4, characterized by optical absorption and X-ray diffraction, to determine their valence and conduction band densities of states, transport gaps, and exciton binding energies. The electron spectroscopy results are compared with the densities of states determined by density functional theory calculations. The remarkable agreement between experiment and calculation enables a detailed identification and analysis of the organic and inorganic contributions to the valence and conduction bands of these two hybrid perovskites. The electron affinity and ionization energies are found to be 3.1 and 5.8 eV for BA2PbI4, and 3.1 and 6.5 eV for BA2PbBr4. The exciton binding energies are estimated to be 260 and 300 meV for the two materials, respectively. The 2D lead iodide and bromide perovskites exhibit significantly less band dispersion and a larger density of states at the band edges than the 3D analogs. The effects of using various organic ligands are also discussed.

  2. Substituent effects on the relaxation dynamics of furan, furfural and β-furfural: a combined theoretical and experimental approach.

    Science.gov (United States)

    Oesterling, Sven; Schalk, Oliver; Geng, Ting; Thomas, Richard D; Hansson, Tony; de Vivie-Riedle, Regina

    2017-01-18

    For the series furan, furfural and β-furfural we investigated the effect of substituents and their positioning on the photoinduced relaxation dynamics in a combined theoretical and experimental approach. Using time resolved photoelectron spectroscopy with a high intensity probe pulse, we can, for the first time, follow the whole deactivation process of furan through a two photon probe signal. Using the extended 2-electron 2-orbital model [Nenov et al., J. Chem. Phys., 2011, 135, 034304] we explain the formation of one central conical intersection and predict the influence of the aldehyde group of the derivatives on its geometry. This, as well as the relaxation mechanisms from photoexcitation to the final outcome was investigated using a variety of theoretical methods. Complete active space self consistent field was used for on-the-fly calculations while complete active space perturbation theory and coupled cluster theory were used to accurately describe critical configurations. Experiment and theory show the relaxation dynamics of furfural and β-furfural to be slowed down, and together they disclose an additional deactivation pathway, which is attributed to the n O lonepair state introduced with the aldehyde group.

  3. The Raman spectrum of CaCO{sub 3} polymorphs calcite and aragonite: A combined experimental and computational study

    Energy Technology Data Exchange (ETDEWEB)

    De La Pierre, Marco, E-mail: cedric.carteret@univ-lorraine.fr, E-mail: marco.delapierre@unito.it; Maschio, Lorenzo; Orlando, Roberto; Dovesi, Roberto [Dipartimento di Chimica, Università di Torino and NIS (Nanostructured Interfaces and Surfaces) Centre of Excellence, Via P. Giuria 7, 10125 Torino (Italy); Carteret, Cédric, E-mail: cedric.carteret@univ-lorraine.fr, E-mail: marco.delapierre@unito.it; André, Erwan [Laboratoire de Chimie Physique et Microbiologie pour l’Environnement (LCPME), UMR 7564, Université de Lorraine-CNRS, 405 rue de Vandoeuvre, 54601 Villers-lès-Nancy (France)

    2014-04-28

    Powder and single crystal Raman spectra of the two most common phases of calcium carbonate are calculated with ab initio techniques (using a “hybrid” functional and a Gaussian-type basis set) and measured both at 80 K and room temperature. Frequencies of the Raman modes are in very good agreement between calculations and experiments: the mean absolute deviation at 80 K is 4 and 8 cm{sup −1} for calcite and aragonite, respectively. As regards intensities, the agreement is in general good, although the computed values overestimate the measured ones in many cases. The combined analysis permits to identify almost all the fundamental experimental Raman peaks of the two compounds, with the exception of either modes with zero computed intensity or modes overlapping with more intense peaks. Additional peaks have been identified in both calcite and aragonite, which have been assigned to {sup 18}O satellite modes or overtones. The agreement between the computed and measured spectra is quite satisfactory; in particular, simulation permits to clearly distinguish between calcite and aragonite in the case of powder spectra, and among different polarization directions of each compound in the case of single crystal spectra.

  4. Kinetics of oxygen reduction in perovskite cathodes for solid oxide fuel cells: A combined modeling and experimental approach

    Science.gov (United States)

    Miara, Lincoln James

    Solid oxide fuel cells (SOFCs) have the potential to replace conventional stationary power generation technologies; however, there are major obstacles to commercialization, the most problematic of which is poor cathode performance. Commercialization of SOFCs will follow when the mechanisms occurring at the cathode are more thoroughly understood and adapted for market use. The catalytic reduction of oxygen occurring in SOFC cathodes consists of many elementary steps such as gas phase diffusion, chemical and/or electrochemical reactions which lead to the adsorption and dissociation of molecular oxygen onto the cathode surface, mass transport of oxygen species along the surface and/or through the bulk of the cathode, and full reduction and incorporation of the oxygen at the cathode/electrolyte two or three phase boundary. Electrochemical impedance spectroscopy (EIS) is the main technique used to identify the occurrence of these different processes, but when this technique is used without an explicit model describing the kinetics it is difficult to unravel the interdependence of each of these processes. The purpose of this dissertation is to identify the heterogeneous reactions occurring at the cathode of an SOFC by combining experimental EIS results with mathematical models describing the time dependent behavior of the system. This analysis is performed on two different systems. In the first case, experimental EIS results from patterned half cells composed of Ca-doped lanthanum manganite (LCM)| yttria-doped ZrO2 (YSZ) are modeled to investigate the temperature and partial pressure of oxygen, pO2, dependence of oxygen adsorption/dissociation onto the LCM surface, surface diffusion of atomic oxygen, and electrochemical reduction and incorporation of the oxygen into the electrolyte in the vicinity of the triple phase boundary (TPB). This model determines the time-independent state-space equations from which the Faradaic admittance transfer function is obtained. The

  5. Combination use of lentinan with x-ray therapy in mouse experimental tumor system, (3). Combination effect on the metastatic tumors

    Energy Technology Data Exchange (ETDEWEB)

    Shiio, Tsuyoshi; Ohishi, Kazuo; Niitsu, Iwayasu; Hayashibara, Hiromi; Tsuchiya, Yoshiharu; Yoshihama, Takashi; Moriyuki, Hirobumi

    1988-03-01

    Combination effect of lentinan with X-ray irradiation on the metastatic mouse tumors, L1210, KLN205 and Lewis lung carcinoma were studied. Combination use of lentinan with X-ray therapy prolonged the life of BDF/sub 1/ mice bearing L1210 leukemia in the suitable combination conditions. Combination effects of lentinan with X-ray therapy were also observed on the suppression of the growth of KLN205 squamus cell carcinoma and on the suppression of the metastasis of Lewis lung carcinoma. Especially, in the case that lentinan was administered before or after X-ray local irradiation in the pulmorary metastasis system of Lewis lung carcinoma, a marked suppressin of pulmonary metastasis was observed and 2 to 4 mice among 8 tested mice were tumor free.

  6. A combined high-temperature experimental and theoretical kinetic study of the reaction of dimethyl carbonate with OH radicals

    KAUST Repository

    Khaled, Fathi

    2017-02-08

    The reaction kinetics of dimethyl carbonate (DMC) and OH radicals were investigated behind reflected shock waves over the temperature range of 872-1295 K and at pressures near 1.5 atm. Reaction progress was monitored by detecting OH radicals at 306.69 nm using a UV laser absorption technique. The rate coefficients for the reaction of DMC with OH radicals were extracted using a detailed kinetic model developed by Glaude et al. (Proc. Combust. Inst. 2005, 30(1), 1111-1118). The experimental rate coefficients can be expressed in Arrhenius form as: kexpt\\'l = 5.15 × 10(13) exp(-2710.2/T) cm(3) mol(-1) s(-1). To explore the detailed chemistry of the DMC + OH reaction system, theoretical kinetic analyses were performed using high-level ab initio and master equation/Rice-Ramsperger-Kassel-Marcus (ME/RRKM) calculations. Geometry optimization and frequency calculations were carried out at the second-order Møller-Plesset (MP2) perturbation level of theory using Dunning\\'s augmented correlation consistent-polarized valence double-ζ basis set (aug-cc-pVDZ). The energy was extrapolated to the complete basis set using single point calculations performed at the CCSD(T)/cc-pVXZ (where X = D, T) level of theory. For comparison purposes, additional ab initio calculations were also carried out using composite methods such as CBS-QB3, CBS-APNO, G3 and G4. Our calculations revealed that the H-abstraction reaction of DMC by OH radicals proceeds via an addition elimination mechanism in an overall exothermic process, eventually forming dimethyl carbonate radicals and H2O. Theoretical rate coefficients were found to be in excellent agreement with those determined experimentally. Rate coefficients for the DMC + OH reaction were combined with literature rate coefficients of four straight chain methyl ester + OH reactions to extract site-specific rates of H-abstraction from methyl esters by OH radicals.

  7. Cost-effectiveness analysis of a voucher scheme combined with obstetrical quality improvements: quasi experimental results from Uganda.

    Science.gov (United States)

    Alfonso, Y Natalia; Bishai, David; Bua, John; Mutebi, Aloysius; Mayora, Crispus; Ekirapa-Kiracho, Elizabeth

    2015-02-01

    The maternal mortality ratio (MMR) in Uganda has declined significantly during the last 20 years, but Uganda is not on track to reach the millennium development goal of reducing MMR by 75% by 2015. More evidence on the cost-effectiveness of supply- and demand-side financing programs to reduce maternal mortality could inform future strategies. This study analyses the cost-effectiveness of a voucher scheme (VS) combined with health system strengthening in rural Uganda against the status quo. The VS, implemented in 2010, provided vouchers for delivery services at public and private health facilities (HF), as well as round-trip transportation provided by private sector workers (bicycles or motorcycles generally). The VS was part of a quasi-experimental non-randomized control trial. Improvements in institutional delivery coverage (IDC) rates can be estimated using a difference-in-difference impact evaluation method and the number of maternal lives saved is modelled using the evidence-based Lives Saved Tool. Costs were estimated from primary and secondary data. Results show that the demand for births at HFs enrolled in the VS increased by 52.3 percentage points. Out of this value, conservative estimates indicate that at least 9.4 percentage points are new HF users. This 9.4% bump in IDC implies 20 deaths averted, which is equivalent to 1356 disability-adjusted-life years (DALYs) averted. Cost-effectiveness analysis comparing the status quo and VS's most conservative effectiveness estimates shows that the VS had an incremental cost-effectiveness ratio per DALY averted of US$302 and per death averted of US$20 756. Although there are limitations in the data measures, a favourable cost-effectiveness ratio persists even under extreme assumptions. Demand-side vouchers combined with supply-side financing programs can increase attended deliveries and reduce maternal mortality at a cost that is acceptable. Published by Oxford University Press in association with The London School

  8. N-Heterocyclic Olefins as Initiators for the Polymerization of (Meth)Acrylic Monomers: A Combined Experimental and Theoretical Approach

    KAUST Repository

    Naumann, Stefan

    2017-08-25

    The zwitterionic organopolymerization of four different acrylic monomers (N,N-dimethylacrylamide, methyl acrylate, methyl methacrylate and tert-butyl methacrylate) based on neutral initiators, so-called N-heterocyclic olefins (NHOs), is presented. Scope and underlying (deactivation-)mechanisms where studied in a combined experimental and computational effort. From a range of differently structured NHOs it emerged that imidazole-, in contrast to imidazoline- and benzimidazole-derivatives, readily polymerize the selected monomers. While the additive-free reactions proceed with a relatively low degree of control to yield largely atactic material, for the acrylamide the addition of LiCl as µ-type ligand has been shown to result in a rapid and quantitative monomer consumption. The thus generated poly(N,N-dimethyl acrylamide) was found to be highly isotactic (>90% isotactic dyads) with high molecular weight (Mn = 250 000 – 650 000 g/mol, ÐM = 1.3- 1.6). Complementing DFT calculations considered the zwitterionic chain growth with respect to competing side reactions, namely spirocycles and enamine formation. It was found that NHOs with unsaturated backbone better support the zwitterionic chain growth, with the spirocycles acting as dormant species that slow down but do not quench the polymerization process. Contrasting this, enamine formation irreversibly terminates the polymerization and is found to be energetically favored. This pathway can be blocked by introduction of substituents on the exocyclic carbon of the NHO, resulting in structures like 2-isopropylidene-1,3,4,5-tetramethylimidazoline (4) which consequently deliver the most controlled polymerizations. Finally, a good correlation of the initiation energy barrier with the buried volume (%VBur) and the Parr electrophilicity index is described, allowing for a quick and reliable screening of potential monomers based on these two readily accessible parameters.

  9. Interfacial separation of a mature biofilm from a glass surface - A combined experimental and cohesive zone modelling approach.

    Science.gov (United States)

    Safari, Ashkan; Tukovic, Zeljko; Cardiff, Philip; Walter, Maik; Casey, Eoin; Ivankovic, Alojz

    2016-02-01

    A good understanding of the mechanical stability of biofilms is essential for biofouling management, particularly when mechanical forces are used. Previous biofilm studies lack a damage-based theoretical model to describe the biofilm separation from a surface. The purpose of the current study was to investigate the interfacial separation of a mature biofilm from a rigid glass substrate using a combined experimental and numerical modelling approach. In the current work, the biofilm-glass interfacial separation process was investigated under tensile and shear stresses at the macroscale level, known as modes I and II failure mechanisms respectively. The numerical simulations were performed using a Finite Volume (FV)-based simulation package (OpenFOAM®) to predict the separation initiation using the cohesive zone model (CZM). Atomic force microscopy (AFM)-based retraction curve was used to obtain the separation properties between the biofilm and glass colloid at microscale level, where the CZM parameters were estimated using the Johnson-Kendall-Roberts (JKR) model. In this study CZM is introduced as a reliable method for the investigation of interfacial separation between a biofilm and rigid substrate, in which a high local stress at the interface edge acts as an ultimate stress at the crack tip.This study demonstrated that the total interfacial failure energy measured at the macroscale, was significantly higher than the pure interfacial separation energy obtained by AFM at the microscale, indicating a highly ductile deformation behaviour within the bulk biofilm matrix. The results of this study can significantly contribute to the understanding of biofilm detachments. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. Complications of combined intraoperative radiation (IORT) and external radiation (ERT) of the upper abdomen: an experimental model

    International Nuclear Information System (INIS)

    Schultz-Hector, S.; Brechenmacher, P.; Doerr, W.; Grab, J.; Kallfass, E.; Krimmel, K.; Kummermehr, J.; Sund, M.; Wilkowski, R.; Willich, N.; Zaspel, J.; Kraemling, H.-J.

    1996-01-01

    An experimental model in the rabbit is presented which is suitable for analysis of clinically relevant, early side-effects of combined upper abdominal IORT and ERT. Fractionated ERT alone given through an upper abdominal a.-p. field including the entire stomach caused gastric ulcerations within ≤ 58 days. Latent times decreased with increasing dose and the ED 50 for occurrence of ulcers was 39 ± 3.3 Gy. Single doses of IORT of 20-40 Gy alone administered through a 2-cm diameter field localized on the coeliac axis and carefully excluding any intestinal mucosa caused neither gastric ulcerations nor other clinical symptoms. When ERT with 40 Gy was preceded by IORT with 20-40 Gy or by sham IORT, 13 out of 15 animals developed ulcers after latent times which in a life-table analysis were shown to be significantly shorter than after ERT alone. However, a statistically significant IORT dose-dependence of latent time or incidence of ulcers could not be demonstrated in the present experiment. The most significant histological changes were observed in the areas of gastric ulcers. Already during ERT, the mucosal epithelium was depleted and regenerative activity was evident in spite of ongoing fractionated irradiation. However, profound irregularities in glandular structure and distribution, as well as number of proliferating epithelial cells were still present in healed ulcers at 80 days. In summary, IORT to the coeliac artery did precipitate the development of gastric ulcers induced by subsequent ERT. On the one hand, the data indicate that the surgical procedure of IORT did contribute to this effect. On the other hand, IORT to the coeliac artery could cause transient, functional alterations in blood supply to the depending organs, i.e. the stomach, and could thus precipitate the development of radiation-induced ulcers

  11. Corrosion chemistry closing comments: opportunities in corrosion science facilitated by operando experimental characterization combined with multi-scale computational modelling.

    Science.gov (United States)

    Scully, John R

    2015-01-01

    Recent advances in characterization tools, computational capabilities, and theories have created opportunities for advancement in understanding of solid-fluid interfaces at the nanoscale in corroding metallic systems. The Faraday Discussion on Corrosion Chemistry in 2015 highlighted some of the current needs, gaps and opportunities in corrosion science. Themes were organized into several hierarchical categories that provide an organizational framework for corrosion. Opportunities to develop fundamental physical and chemical data which will enable further progress in thermodynamic and kinetic modelling of corrosion were discussed. These will enable new and better understanding of unit processes that govern corrosion at the nanoscale. Additional topics discussed included scales, films and oxides, fluid-surface and molecular-surface interactions, selected topics in corrosion science and engineering as well as corrosion control. Corrosion science and engineering topics included complex alloy dissolution, local corrosion, and modelling of specific corrosion processes that are made up of collections of temporally and spatially varying unit processes such as oxidation, ion transport, and competitive adsorption. Corrosion control and mitigation topics covered some new insights on coatings and inhibitors. Further advances in operando or in situ experimental characterization strategies at the nanoscale combined with computational modelling will enhance progress in the field, especially if coupling across length and time scales can be achieved incorporating the various phenomena encountered in corrosion. Readers are encouraged to not only to use this ad hoc organizational scheme to guide their immersion into the current opportunities in corrosion chemistry, but also to find value in the information presented in their own ways.

  12. Combination use of lentinan with x-ray therapy in mouse experimental tumor system, (2). Combination effect on MM102 syngeneic tumor

    Energy Technology Data Exchange (ETDEWEB)

    Shiio, Tsuyoshi; Ohishi, Kazuo; Tsuchiya, Yoshiharu; Niitsu, Iwayasu; Hayashibara, Hiromi; Yoshihama, Takashi; Moriyuki, Hirobumi

    1988-03-01

    C3H/He mice transplanted syngeneic MM102 tumor subcutaneously in the footpad were used to study the timing of administration of lentinan when combined with local irradiation of X-ray. In combination with 1,000 rads irradiation, the administration of lentinan after X-ray was not effective. When lentinan was administered in combination with 2,000 to 3,000 rads irradiation, the growth of tumor was decreased significantly in comparison with the groups which received radiotherapy alone and those that received lentinan alone. The administration of lentinan before irradiation was effective at the same degree in the group that received lentinan after irradiation. Life prolongation effect was also observed in the group that received lentinan before and after irradiation, and 4 mice among 8 tested mice were survived at 70th day after tumor transplantation.

  13. Experimental study of ultra-thin films mechanical integrity by combined nanoindentation and nano-acoustic emission

    Science.gov (United States)

    Zhang, Zihou

    Advancement of interconnect technology has imposed significant challenge on interface characterization and reliability for blurred interfaces between layers. There is a need for material properties and these miniaturized length scales and assessment of reliability; including the intrinsic film fracture toughness and the interfacial fracture toughness. The nano-meter range of film thicknesses currently employed, impose significant challenges on evaluating these physical quantities and thereby impose significant challenge on the design cycle. In this study we attempted to use a combined nano-indentation and nano-acoustic emission to qualitatively and quantitatively characterize the failure modes in ultra-thin blanket films on Si substrates or stakes of different characteristics. We have performed and analyzed an exhaustive group of testes that cove many diverge combination of film-substrate combination, provided by both Intel and IBM. When the force-indentation depth curve shows excursion, a direct measure of the total energy release rate is estimated. The collected acoustic emission signal is then used to partition the total energy into two segments, one associated with the cohesive fracture toughness of the film and the other is for the adhesive fracture toughness of the interface. The acoustic emission signal is analyzed in both the time and frequency domain to achieve such energy division. In particular, the signal time domain analysis for signal skewness, time of arrival and total energy content are employed with the proper signal to noise ratio. In the frequency domain, an expansive group of acoustic emission signals are utilized to construct the details of the power spectral density. A bank of band-pass filters are designed to sort the individual signals to those associated with adhesive interlayer cracking, cohesive channel cracking, or other system induced noise. The attenuation time and the energy content within each spectral frequency were the key elements

  14. Atomic-Scale Design of Iron Fischer-Tropsch Catalysts; A Combined Computational Chemistry, Experimental, and Microkinetic Modeling Approach

    Energy Technology Data Exchange (ETDEWEB)

    Manos Mavrikakis; James Dumesic; Rahul Nabar; Calvin Bartholonew; Hu Zou; Uchenna Paul

    2008-09-29

    This work focuses on (1) searching/summarizing published Fischer-Tropsch synthesis (FTS) mechanistic and kinetic studies of FTS reactions on iron catalysts; (2) preparation and characterization of unsupported iron catalysts with/without potassium/platinum promoters; (3) measurement of H{sub 2} and CO adsorption/dissociation kinetics on iron catalysts using transient methods; (3) analysis of the transient rate data to calculate kinetic parameters of early elementary steps in FTS; (4) construction of a microkinetic model of FTS on iron, and (5) validation of the model from collection of steady-state rate data for FTS on iron catalysts. Three unsupported iron catalysts and three alumina-supported iron catalysts were prepared by non-aqueous-evaporative deposition (NED) or aqueous impregnation (AI) and characterized by chemisorption, BET, temperature-programmed reduction (TPR), extent-of-reduction, XRD, and TEM methods. These catalysts, covering a wide range of dispersions and metal loadings, are well-reduced and relatively thermally stable up to 500-600 C in H{sub 2} and thus ideal for kinetic and mechanistic studies. Kinetic parameters for CO adsorption, CO dissociation, and surface carbon hydrogenation on these catalysts were determined from temperature-programmed desorption (TPD) of CO and temperature programmed surface hydrogenation (TPSR), temperature-programmed hydrogenation (TPH), and isothermal, transient hydrogenation (ITH). A microkinetic model was constructed for the early steps in FTS on polycrystalline iron from the kinetic parameters of elementary steps determined experimentally in this work and from literature values. Steady-state rate data were collected in a Berty reactor and used for validation of the microkinetic model. These rate data were fitted to 'smart' Langmuir-Hinshelwood rate expressions derived from a sequence of elementary steps and using a combination of fitted steady-state parameters and parameters specified from the transient

  15. Experimental Performance Comparison of 60 GHz DCM OFDM and Impulse BPSK Ultra-Wideband with Combined Optical Fibre and Wireless Transmission

    DEFF Research Database (Denmark)

    Beltrán, Marta; Jensen, Jesper Bevensee; Yu, Xianbin

    2010-01-01

    We present an experimental performance comparison of 1.44Gbps dual-carrier modulation OFDM and BPSK impulse-radio ultra-wideband in the 60GHz band with combined fibre, up to 40km, and 5m wireless transmission. Impulse-radio exhibits better dispersion tolerance requiring lower optical power....

  16. Experimental Investigations of the Energy and Environmental Indices of Operation of a Low-Capacity Combined Gas Producer and Hot-Water Boiler

    Science.gov (United States)

    Bodnar, L. A.; Stepanov, D. V.; Dovgal‧, A. N.

    2015-07-01

    It has been shown that the introduction of combined gas producers and boilers on renewable energy sources is a pressing issue. A structural diagram of a low-capacity combined gas producer and boiler on renewable energy sources has been given; a bench and procedures for investigation and processing of results have been developed. Experimental investigations of the energy and environmental indices of a 40-kW combined gas producer and hotwater boiler burning wood have been carried out. Results of the experimental investigations have been analyzed. Distinctive features have been established and a procedure of thermal calculation of the double furnace of a lowcapacity combined gas producer and boiler burning solid fuel has been proposed. The calculated coefficients of heat transfer from the gases in the convection bank have been compared with the obtained experimental results. A calculation dependence for the heat transfer from the gases in convection banks of low-capacity hot-water boilers has been proposed. The quantities of harmful emissions from the combined gas producer and boiler on renewable energy sources have been compared with the existing Ukrainian and foreign standards. It has been established that the environmental efficiency of the boiler under study complies with most of the standard requirements of European countries.

  17. Determinants of Isoform-Specific Gating Kinetics of hERG1 Channel: Combined Experimental and Simulation Study

    Directory of Open Access Journals (Sweden)

    Laura L. Perissinotti

    2018-04-01

    Full Text Available IKr is the rapidly activating component of the delayed rectifier potassium current, the ion current largely responsible for the repolarization of the cardiac action potential. Inherited forms of long QT syndrome (LQTS (Lees-Miller et al., 1997 in humans are linked to functional modifications in the Kv11.1 (hERG ion channel and potentially life threatening arrhythmias. There is little doubt now that hERG-related component of IKr in the heart depends on the tetrameric (homo- or hetero- channels formed by two alternatively processed isoforms of hERG, termed hERG1a and hERG1b. Isoform composition (hERG1a- vs. the b-isoform has recently been reported to alter pharmacologic responses to some hERG blockers and was proposed to be an essential factor pre-disposing patients for drug-induced QT prolongation. Very little is known about the gating and pharmacological properties of two isoforms in heart membranes. For example, how gating mechanisms of the hERG1a channels differ from that of hERG1b is still unknown. The mechanisms by which hERG 1a/1b hetero-tetramers contribute to function in the heart, or what role hERG1b might play in disease are all questions to be answered. Structurally, the two isoforms differ only in the N-terminal region located in the cytoplasm: hERG1b is 340 residues shorter than hERG1a and the initial 36 residues of hERG1b are unique to this isoform. In this study, we combined electrophysiological measurements for HEK cells, kinetics and structural modeling to tease out the individual contributions of each isoform to Action Potential formation and then make predictions about the effects of having various mixture ratios of the two isoforms. By coupling electrophysiological data with computational kinetic modeling, two proposed mechanisms of hERG gating in two homo-tetramers were examined. Sets of data from various experimental stimulation protocols (HEK cells were analyzed simultaneously and fitted to Markov-chain models (M

  18. Evaluation of the efficacy and duration of immunity of a canine combination vaccine against virulent parvovirus, infectious canine hepatitis virus, and distemper virus experimental challenges.

    Science.gov (United States)

    Abdelmagid, Omar Y; Larson, Laurie; Payne, Laurie; Tubbs, Anna; Wasmoen, Terri; Schultz, Ronald

    2004-01-01

    The results of this study confirmed that dogs vaccinated subcutaneously with a commercially available multivalent vaccine containing modified-live canine distemper virus, canine adenovirus type 2, canine parvovirus type 2b, and canine parainfluenza virus antigens were protected against sequential experimental challenge 55 to 57 months after initial vaccination given at 7 to 8 weeks of age. All 10 vaccinates were protected against clinical diseases and mortality following parvovirus and infectious canine hepatitis experimental infections. All vaccinates were protected against mortality and 90% against clinical disease following distemper challenge. These data support at least a 4-year duration of immunity for these three "core" fractions in the combination vaccine.

  19. New Similarity Functions

    DEFF Research Database (Denmark)

    Yazdani, Hossein; Ortiz-Arroyo, Daniel; Kwasnicka, Halina

    2016-01-01

    spaces, in addition to their similarity in the vector space. Prioritized Weighted Feature Distance (PWFD) works similarly as WFD, but provides the ability to give priorities to desirable features. The accuracy of the proposed functions are compared with other similarity functions on several data sets....... Our results show that the proposed functions work better than other methods proposed in the literature....

  20. Phoneme Similarity and Confusability

    Science.gov (United States)

    Bailey, T.M.; Hahn, U.

    2005-01-01

    Similarity between component speech sounds influences language processing in numerous ways. Explanation and detailed prediction of linguistic performance consequently requires an understanding of these basic similarities. The research reported in this paper contrasts two broad classes of approach to the issue of phoneme similarity-theoretically…

  1. A combined theoretical and experimental investigation about the influence of the dopant in the anionic electropolymerization of {alpha}-tetrathiophene

    Energy Technology Data Exchange (ETDEWEB)

    Aleman, Carlos [Departament d' Enginyeria Quimica, E.T.S. d' Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E-08028 (Spain)], E-mail: carlos.aleman@upc.es; Oliver, Ramon [Unitat de Quimica Industrial, E.U.E. Tecnica Industrial de Barcelona, Universitat Politecnica de Catalunya, Comte d' Urgell 187, Barcelona E-08036 (Spain); Brillas, Enric [Departament de Quimica Fisica, Facultat de Quimica, Universitat de Barcelona, Marti i Franques 1, Barcelona E-08028 (Spain); Casanovas, Jordi [Departament de Quimica, Escola Politecnica Superior, Universitat de Lleida, c/Jaume II No. 69, Lleida E-25001 (Spain); Estrany, Francesc [Unitat de Quimica Industrial, E.U.E. Tecnica Industrial de Barcelona, Universitat Politecnica de Catalunya, Comte d' Urgell 187, Barcelona E-08036 (Spain)], E-mail: francesc.estrany@upc.es

    2005-07-18

    This work presents an experimental and theoretical investigation about the influence of the dopant in the electropolymerization of {alpha}-tetrathiophene. Adherent, insoluble, and black polymeric films were obtained in the presence of LiClO{sub 4}, while no evidence about the formation of polymer was detected with LiCl and LiBr electrolytes. On the other hand, quantum mechanical calculations based on the density functional theory were performed on 1:1 charge-transfer complexes formed by {alpha}-tetrathiophene and X = ClO{sub 4}, Cl or Br. The consistency between experimental and theoretical results is discussed.

  2. A combined theoretical and experimental investigation about the influence of the dopant in the anodic electropolymerization of α-tetrathiophene

    International Nuclear Information System (INIS)

    Aleman, Carlos; Oliver, Ramon; Brillas, Enric; Casanovas, Jordi; Estrany, Francesc

    2006-01-01

    This work presents an experimental and theoretical investigation about the influence of the dopant in the electropolymerization of α-tetrathiophene. The results derived from anodic polymerization of α-tetrathiophene using SCN - , Cl - , Br - , NO 3 - ClO 3 - andClO 4 - as dopant agents are compared with theoretical results provided by quantum mechanical calculations on 1:1 charge-transfer complexes formed by α-tetrathiophene and X=SCN, Cl, Br, NO 3 , ClO 3 and ClO 4 . The consistency between experimental and theoretical results allows explain and rationalize the influence of the dopant in the electropolymerization of α-tetrathiophene

  3. A combined theoretical and experimental investigation about the influence of the dopant in the anionic electropolymerization of α-tetrathiophene

    International Nuclear Information System (INIS)

    Aleman, Carlos; Oliver, Ramon; Brillas, Enric; Casanovas, Jordi; Estrany, Francesc

    2005-01-01

    This work presents an experimental and theoretical investigation about the influence of the dopant in the electropolymerization of α-tetrathiophene. Adherent, insoluble, and black polymeric films were obtained in the presence of LiClO 4 , while no evidence about the formation of polymer was detected with LiCl and LiBr electrolytes. On the other hand, quantum mechanical calculations based on the density functional theory were performed on 1:1 charge-transfer complexes formed by α-tetrathiophene and X = ClO 4 , Cl or Br. The consistency between experimental and theoretical results is discussed

  4. Evaluation of the Combined Therapy of DA-7218, a New Oxazolidinone, and Trimethoprim/ Sulfamethoxazole in the Treatment of Experimental Actinomycetoma by Nocardia brasiliensis.

    Science.gov (United States)

    Espinoza-Gonzalez, N A; Welsh, O; Ocampo-Candiani, J; Said-Fernandez, S; Lozano-Garza, G; Choi, S H; Vera-Cabrera, L

    2010-07-01

    Currently, for actinomycetoma, combined antimicrobial therapy is preferred to the use of a single compound. This is in order to provide a broader-spectrum coverage due to a combinatory or synergistic effect between the drugs, and to decrease the possibility of emergence of natural resistant strains. A new oxazolidinone pro-drug, DA-7218 [(R)-3-(4-(2-(2-methyltetrazol-5-yl)-pyridin-5-yl)-3-fluorophenyl)-2-oxo-5-oxazolidinyl) methyl-disodium-phosphate] (recently re-named TR-701), has shown very good in vitro and in vivo activities against several gram-positive bacteria including Nocardia spp. In the present work we evaluated the effect of DA-7218 at two different doses, alone and combined with trimethoprim/ sulfamethoxazole (SXT), in an experimental Nocardia brasiliensis actinomycetoma murine model. We also included a negative and a positive control group (linezolid and saline solution respectively). At the end of the treatment period, we observed a clinically and statistically significant difference among the drug receiving groups (combined, alone and linezolid) and the control group (P=0.004). The difference was higher (P= 0.004) between the groups receiving DA-7218 (25mg/kg) alone or combined with SXT, and the control group (saline solution). In this work we proved that DA-7218 alone and combined with SXT is effective in the treatment of experimental actinomycetoma by Nocardia brasiliensis and that it could be potentially useful in the treatment of human actinomycetoma.

  5. Experimental study on ablation of leiomyoma by combination high-intensity focused ultrasound and iodized oil in vitro.

    Science.gov (United States)

    Liang, Zhi-Gang; Gao, Yi; Ren, Xiao-Yan; Sun, Cui; Gu, Heng-Fang; Mou, Meng; Xiao, Yan-Bing

    2017-10-01

    The aim of the current study was to investigate whether iodized oil (IO) enhances high-intensity focused ultrasound (HIFU) ablation of uterine leiomyoma and to determine the features of hyperechoic changes in the target region. Forty samples of uterine leiomyoma were randomly divided into an experimental group and a control group. In the experimental group, the leiomyoma was ablated by HIFU 30 min after 1 mL of iodized oil had been injected into the center of the myoma. The hyperechoic values and areas in the target region were observed by B-modal ultrasound after HIFU ablation. The samples were cut successively into slices and stained by triphenyltetrazolium chloride (TTC) solution within 1 h after HIFU ablation. The diameters of TTC-non-stained areas were measured and tissues in the borderline of the TTC-stained and -non-stained areas were observed pathologically. All procedures in the control group were the same as those in the experimental group except IO was replaced by physiological saline. The hyperechoic value in the target region in the experimental group was higher than that in the control group 4 min after HIFU ablation (P leiomyoma occurred in the target region in both groups. IO causes coagulation necrosis, enlarges tissue damage, and postpones the attenuation of hyperechoic changes in the target region when HIFU ablation is carried out for leiomyoma in vitro. © 2017 Japan Society of Obstetrics and Gynecology.

  6. A Combined Experimental and Numerical Modeling Study of the Deformation and Rupture of Axisymmetric Liquid Bridges under Coaxial Stretching.

    Science.gov (United States)

    Zhuang, Jinda; Ju, Y Sungtaek

    2015-09-22

    The deformation and rupture of axisymmetric liquid bridges being stretched between two fully wetted coaxial disks are studied experimentally and theoretically. We numerically solve the time-dependent Navier-Stokes equations while tracking the deformation of the liquid-air interface using the arbitrary Lagrangian-Eulerian (ALE) moving mesh method to fully account for the effects of inertia and viscous forces on bridge dynamics. The effects of the stretching velocity, liquid properties, and liquid volume on the dynamics of liquid bridges are systematically investigated to provide direct experimental validation of our numerical model for stretching velocities as high as 3 m/s. The Ohnesorge number (Oh) of liquid bridges is a primary factor governing the dynamics of liquid bridge rupture, especially the dependence of the rupture distance on the stretching velocity. The rupture distance generally increases with the stretching velocity, far in excess of the static stability limit. For bridges with low Ohnesorge numbers, however, the rupture distance stay nearly constant or decreases with the stretching velocity within certain velocity windows due to the relative rupture position switching and the thread shape change. Our work provides an experimentally validated modeling approach and experimental data to help establish foundation for systematic further studies and applications of liquid bridges.

  7. FT-Raman and FTIR spectra of photoactive aminobenzazole derivatives in the solid state: A combined experimental and theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Alves, Rodrigo Martins [Universidade Federal do Pampa, Campus Bagé, Grupo de Pesquisa em Espectroscopia de Materiais Fotônicos, 96400-970 Bagé, RS (Brazil); Rodembusch, Fabiano Severo [Universidade Federal do Rio Grande do Sul, Grupo de Pesquisa em Fotoquímica Orgânica Aplicada, Av. Bento Gonçalves 9500, CEP 91501-970 Porto Alegre, RS (Brazil); Habis, Charles [Northern Virginia Community College, Manassas, VA (United States); Moreira, Eduardo Ceretta, E-mail: eduardomoreira@unipampa.edu.br [Universidade Federal do Pampa, Campus Bagé, Grupo de Pesquisa em Espectroscopia de Materiais Fotônicos, 96400-970 Bagé, RS (Brazil)

    2014-12-15

    This study reports the experimental investigation of two photoactive aminobenzazole derivatives in the solid state by FT-Raman and Infrared Spectroscopies (FTIR) and its comparison with theoretical models. The optimized molecular structure, vibrational frequencies, and corresponding vibrational assignments of these compounds have been investigated experimentally and theoretically using Spanish Initiative for Electronic Simulations with Thousands of Atoms (SIESTA) and Gaussian03 Software Package. The FT-Raman and FTIR spectra were acquired with high resolution and emission frequencies identified by simulating the vibrational modes. The most intense peak observed in the FT-Raman spectra is the in-plane deformation vibrational of O–H bond that could be related to the vibrational region responsible for the stabilization of the enol conformer in the ground state which undergoes ESIPT to form a keto tautomer in the excited state. Additionally, the position of the amino group played an important role on the vibrational characteristics of the studied compounds. Also, the simulations proved to be a good approach in undertaking the FTIR and FT-Raman experiments. The use of graphic correlations helps us to determine the method and basis that best fit the experimental results. - Highlights: • Structural and vibrational properties of two aminobenzazoles were reported. • Comparison between experimental techniques and theoretical models. • The position of the amino group played an important role on the vibrational characteristics of the studied compounds.

  8. Combined experimental and numerical investigation of energy harness utilizing vortex induced vibration over half cylinder using piezoelectric beams

    Science.gov (United States)

    Ahmed, Md. Tusher; Hossain, Md. Tanver; Rahman, Md. Ashiqur

    2017-06-01

    Energy harvesting technology has the ability to create self-powered electronic systems that do not rely on battery power for their operation. Wind energy can be converted into electricity via a piezoelectric transducer during the air flow over a cylinder. The vortex-induced vibration over the cylinder causes the piezoelectric beam to vibrate. Thus useful electric energy at the range 0.2-0.3V is found which can be useful for self-powering small electronic devices. In the present study, prototypes of micro-energy harvester with a shape of 65 mm × 37 mm × 0.4 mm are developed and tested for airflow over D-shaped bluff body for diameters of 15, 20 and 28mm in an experimental setup consisting of a long wind tunnel of 57cm × 57cm with variable speeds of the motor for different flow velocities and the experimental setup is connected at the downstream where flow velocity is the maximum. Experimental results show that the velocity and induced voltage follows a regular linear pattern. A maximum electrical potential of 140 mV for velocity of 1.1 ms-1 at a bluff body diameter of 15 mm is observed in the energy harvester that can be applied in many practical cases for self-powering electronic devices. The simulation of this energy harvesting phenomena is then simulated using COMSOLE multi-physics. Diameter of the bluff bodies as well as flow velocity and size of cantilever beam are varied and the experimental findings are found to be in good agreement with the simulated ones. The simulations along with the experimental data show the possibility of generating electricity from vortex induced vibration and can be applied in many practical cases for self-powering electronic devices.

  9. Use of vibrational spectroscopy to study protein and DNA structure, hydration, and binding of biomolecules: A combined theoretical and experimental approach

    DEFF Research Database (Denmark)

    Jalkanen, Karl J.; Jürgensen, Vibeke Würtz; Claussen, Anetta

    2006-01-01

    and experimental approach. The systems we have studied systematically are the amino acids (L-alanine, L-tryptophan, and L-histidine), peptides (N-acetyl L-alanine N'-methyl amide, N-acetyl L-tryptophan N'-methyl amide, N-acetyl L-histidine N'-methyl amide, L-alanyl L-alanine, tri-L-serine, N-acetyl L-alanine L......+disp, RHF, MP2, and DFT methodologies for the modeling studies with the goal of interpreting the experimentally measured vibrational spectra for these molecules to the greatest extent possible and to use this combined approach to understand the structure, function, and electronic properties......We report on our work with vibrational absorption, vibrational circular dichroism, Raman scattering, Raman optical activity, and surface-enhanced Raman spectroscopy to study protein and DNA structure, hydration, and the binding of ligands, drugs, pesticides, or herbicides via a combined theoretical...

  10. Silymarin and caffeine combination ameliorates experimentally-induced hepatic fibrosis through down-regulation of LPAR1 expression.

    Science.gov (United States)

    Eraky, Salma M; El-Mesery, Mohamed; El-Karef, Amro; Eissa, Laila A; El-Gayar, Amal M

    2018-05-01

    Lysophosphatidic acid is a lipid mediator that is supposed to be implicated in hepatic fibrosis. Silymarin and caffeine are natural compounds known for their anti-inflammatory and antioxidant effects. Our study aimed to explore the effect of silymarin, caffeine, and their combination on lysophosphatidic acid receptor 1 (LPAR1) pathway in thioacetamide (TAA)-induced hepatic fibrosis. Hepatic fibrosis was induced in male Sprague-Dawley rats by intraperitoneal injection of 200 mg/kg of TAA twice a week for 8 weeks. Silymarin (50 mg/kg), caffeine (50 mg/kg), and their combination (50 mg/kg silymarin + 50 mg/kg caffeine) were orally given to rats every day for 8 weeks along with TAA injection. Liver functions were measured. Histopathological examination of liver tissues was performed using hematoxylin and eosin and Masson's trichrome staining. mRNA expressions of LPAR1, transforming growth factor beta 1 (TGF-β1), connective tissue growth factor (CTGF), and alpha smooth muscle actin (α-SMA) were measured using RT-PCR. LPAR1 tissue expression was scored using immunohistochemistry. Silymarin, caffeine, and their combination significantly improved liver function. They caused significant decrease in fibrosis and necro-inflammatory scores. Combination of silymain and caffeine caused a significant decrease in the necro-inflammatory score than the single treatment with silymarin or caffeine. In addition, silymarin, caffeine, and their combination significantly decreased hepatic LPAR1, TGF-β1, CTGF, and α-SMA gene expressions and LPAR1 tissue expression. Silymarin, caffeine, and their combination protect against liver fibrosis through down-regulation of LPAR1, TGF-β1, and CTGF. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

  11. Potential benefits of combining cytosine deaminase/5-fluorocytosine gene therapy and irradiation for prostate cancer. Experimental study

    Energy Technology Data Exchange (ETDEWEB)

    Kato, Hiroaki; Koshida, Kiyoshi; Yokoyama, Kunihiko; Mizokami, Atsushi; Namiki, Mikio [Kanazawa Univ. (Japan). School of Medicine

    2002-10-01

    The purpose of this study was to investigate the potential of combining cytosine deaminase/5-fluorocytosine (CD/5-FC) gene therapy and radiation therapy (either external beam radiation or radioimmunotherapy [RIT]), for the treatment of prostate cancer. Tumor xenografts of CD-transduced LNCaP cells grown in the testes of severe combined immunodeficiency (SCID) mice were used to evaluate antitumor effect. The mice were injected intraperitoneally with 500 mg/kg of 5-FC, or with 5, 15 or 30 mg/kg of 5-fluorouracil (5-FU), for 9 days. The tumors were treated with fractionated radiation at a dose of 1 or 3 Gy/day for 3 days, or I-131 labelled anti-prostate specific antigen (anti-PSA) monoclonal antibody (mAb) administration at a subtherapeutic dose of 20 or 80 {mu}Ci. Intratumoral and serum concentrations of 5-FU were measured using high performance liquid chromatography. Mice treated with CD/5-FC gene therapy presented a significant tumor growth inhibition comparable to that obtained with 15 mg/kg, 5-FU systemic administration without marked weight loss. Treatment with CD/5-FC gene therapy resulted in higher tumor but lower serum concentrations of 5-FU than treatment with systemic 5-FU chemotherapy. An additive antitumor effect was obtained when CD/5-FC therapy was combined with 1 Gy irradiation, which by itself did not produce a significant antitumor effect. However, the efficacy of CD/5-FC therapy was not enhanced when combined with RIT, probably due to poor accumulation of the mAb as the tumor/blood ratio never exceeded 1. These findings indicate that CD/5-FC gene therapy for prostate cancer may function with enhanced antitumor effect when combined with external beam radiation. However, combining CD/5-FC gene therapy and RIT using an anti-PSA mAb may not be effective because of insufficient accumulation of the mAb at the target tumors. (author)

  12. Potential benefits of combining cytosine deaminase/5-fluorocytosine gene therapy and irradiation for prostate cancer. Experimental study

    International Nuclear Information System (INIS)

    Kato, Hiroaki; Koshida, Kiyoshi; Yokoyama, Kunihiko; Mizokami, Atsushi; Namiki, Mikio

    2002-01-01

    The purpose of this study was to investigate the potential of combining cytosine deaminase/5-fluorocytosine (CD/5-FC) gene therapy and radiation therapy (either external beam radiation or radioimmunotherapy [RIT]), for the treatment of prostate cancer. Tumor xenografts of CD-transduced LNCaP cells grown in the testes of severe combined immunodeficiency (SCID) mice were used to evaluate antitumor effect. The mice were injected intraperitoneally with 500 mg/kg of 5-FC, or with 5, 15 or 30 mg/kg of 5-fluorouracil (5-FU), for 9 days. The tumors were treated with fractionated radiation at a dose of 1 or 3 Gy/day for 3 days, or I-131 labelled anti-prostate specific antigen (anti-PSA) monoclonal antibody (mAb) administration at a subtherapeutic dose of 20 or 80 μCi. Intratumoral and serum concentrations of 5-FU were measured using high performance liquid chromatography. Mice treated with CD/5-FC gene therapy presented a significant tumor growth inhibition comparable to that obtained with 15 mg/kg, 5-FU systemic administration without marked weight loss. Treatment with CD/5-FC gene therapy resulted in higher tumor but lower serum concentrations of 5-FU than treatment with systemic 5-FU chemotherapy. An additive antitumor effect was obtained when CD/5-FC therapy was combined with 1 Gy irradiation, which by itself did not produce a significant antitumor effect. However, the efficacy of CD/5-FC therapy was not enhanced when combined with RIT, probably due to poor accumulation of the mAb as the tumor/blood ratio never exceeded 1. These findings indicate that CD/5-FC gene therapy for prostate cancer may function with enhanced antitumor effect when combined with external beam radiation. However, combining CD/5-FC gene therapy and RIT using an anti-PSA mAb may not be effective because of insufficient accumulation of the mAb at the target tumors. (author)

  13. [The effect of the combined use of mineral water and rutin on the function of the adrenal cortex and pancreatic islet apparatus (an experimental study)].

    Science.gov (United States)

    Polushina, N D; Kozhevnikov, S A; Makarov, V A; Vergeĭchik, E N; Kartazaeva, V A; Liubchik, V E

    1997-01-01

    Before modelling of experimental ulcer according to I. S. Zavodskaia the animals (157 male Wistar rats) were given for 24 days mineral water Essentuki N 17 and rutin in a dose 20 or 40 mg. Those given 20 mg of rutin in combination with mineral water demonstrated a higher rise in blood concentrations of hydrocortisone, insulin and thyroxine. Gastric mucosa and levels of serum alpha-1, alpha-2, beta-globulins and albumins were less damaged.

  14. Probing Stereoselectivity in Ring-Opening Metathesis Polymerization Mediated by Cyclometalated Ruthenium-Based Catalysts: A Combined Experimental and Computational Study

    OpenAIRE

    Rosebrugh, L. E.; Ahmed, T. S.; Marx, V. M.; Hartung, J.; Liu, P.; López, J. G.; Houk, K. N.; Grubbs, R. H.

    2016-01-01

    The microstructures of polymers produced by ring-opening metathesis polymerization (ROMP) with cyclometalated Ru-carbene metathesis catalysts were investigated. A strong bias for a cis,syndiotactic microstructure with minimal head-to-tail bias was observed. In instances where trans errors were introduced, it was determined that these regions were also syndiotactic. Furthermore, hypothetical reaction intermediates and transition structures were analyzed computationally. Combined experimental a...

  15. Experimental study including subjective evaluations of mixing and displacement ventilation combined with radiant floor heating/cooling system

    DEFF Research Database (Denmark)

    Krajcik, Michal; Tomasi, Roberta; Simone, Angela

    2013-01-01

    Sixteen subjects evaluated the indoor environment in four experiments with different combinations of ventilation systems and radiant heating/cooling systems. In the first two tests, the simulated residential room was equipped either by a mixing ventilation system supplying warm air for space heat...

  16. Singular and combined effects of thought suppression and anxiety induction on frequency of threatening thoughts: An experimental investigation

    NARCIS (Netherlands)

    Cougle, J.R.; Smits, J.A.J.; Lee, H.J.; Powers, M.B.; Telch, M.J.

    2005-01-01

    The suppression of unwanted thoughts has been hypothesized to play an important role in the maintenance of clinical disorders such as OCD and PTSD. The present study sought to examine the singular and combined effects of thought suppression instructions and anxiety induction (as induced by an

  17. A combined experimental and theoretical study on vibrational and electronic properties of (5-methoxy-1H-indol-1-yl(5-methoxy-1H-indol-2-ylmethanone

    Directory of Open Access Journals (Sweden)

    Al-Wabli Reem I.

    2017-11-01

    Full Text Available (5-Methoxy-1H-indol-1-yl(5-methoxy-1H-indol-2-ylmethanone (MIMIM is a bis-indolic derivative that can be used as a precursor to a variety of melatonin receptor ligands. In this work, the energetic and spectroscopic profiles of MIMIM were studied by a combined DFT and experimental approach. The IR, Raman, UV-Vis, 1H NMR and 13C NMR spectra were calculated by PBEPBE and B3LYP methods, and compared with experimental ones. Results showed good agreement between theoretical and experimental values. Mulliken population and natural bond orbital analysis were also performed by time-dependent DFT approach to evaluate the electronic properties of the title molecule.

  18. A combined theoretical and experimental investigation about the influence of the dopant in the anodic electropolymerization of {alpha}-tetrathiophene

    Energy Technology Data Exchange (ETDEWEB)

    Aleman, Carlos [Departament d' Enginyeria Quimica, E.T.S. d' Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E-08028 (Spain)], E-mail: carlos.aleman@upc.edu; Oliver, Ramon [Unitat de Quimica Industrial, E.U.E. Tecnica Industrial de Barcelona, Universitat Politecnica de Catalunya, Comte d' Urgell 187, Barcelona E-08036 (Spain); Brillas, Enric [Departament de Quimica Fisica, Facultat de Quimica, Universitat de Barcelona, Marti i Franques 1, Barcelona E-08028 (Spain); Casanovas, Jordi [Departament de Quimica, Escola Politecnica Superior, Universitat de Lleida, c/Jaume II No. 69, Lleida E-25001 (Spain); Estrany, Francesc [Unitat de Quimica Industrial, E.U.E. Tecnica Industrial de Barcelona, Universitat Politecnica de Catalunya, Comte d' Urgell 187, Barcelona E-08036 (Spain)], E-mail: francesc.estrany@upc.edu

    2006-04-21

    This work presents an experimental and theoretical investigation about the influence of the dopant in the electropolymerization of {alpha}-tetrathiophene. The results derived from anodic polymerization of {alpha}-tetrathiophene using SCN{sup -}, Cl{sup -}, Br{sup -}, NO{sub 3}{sup -}ClO{sub 3}{sup -}andClO{sub 4}{sup -} as dopant agents are compared with theoretical results provided by quantum mechanical calculations on 1:1 charge-transfer complexes formed by {alpha}-tetrathiophene and X=SCN, Cl, Br, NO{sub 3}, ClO{sub 3} and ClO{sub 4}. The consistency between experimental and theoretical results allows explain and rationalize the influence of the dopant in the electropolymerization of {alpha}-tetrathiophene.

  19. Combined experimental and theoretical investigations of the photoluminescent behavior of Ba(Ti, Zr)O3 thin films

    International Nuclear Information System (INIS)

    Cavalcante, L.S.; Gurgel, M.F.C.; Paris, E.C.; Simoes, A.Z.; Joya, M.R.; Varela, J.A.; Pizani, P.S.; Longo, E.

    2007-01-01

    The correlation between experimental data and theoretical calculations have been investigated to explain the photoluminescence at room temperature of Ba(Ti 0.75 Zr 0.25 )O 3 (BTZ) thin films prepared by the polymeric precursor method. The degree of structural order-disorder was investigated by X-ray diffraction, Fourier transform infrared spectroscopy, ultraviolet-visible absorption spectroscopy and photoluminescence (PL) measurements. First-principles quantum mechanical calculations based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and deformed asymmetric models. The electronic properties are analyzed and the relevance of the present theoretical and experimental results on the PL behavior is discussed. The presence of localized electronic levels and a charge gradient in the band gap due to a break in symmetry, are responsible for the PL in disordered BTZ lattice

  20. Selective adsorption of volatile organic compounds in micropore aluminum methylphosphonate-alpha: a combined molecular simulation-experimental approach.

    Science.gov (United States)

    Herdes, Carmelo; Valente, Anabela; Lin, Zhi; Rocha, João; Coutinho, João A P; Medina, Francisco; Vega, Lourdes F

    2007-06-19

    Results concerning the adsorption capacity of aluminum methylphosphonate polymorph alpha (AlMePO-alpha) for pure ethyl chloride and vinyl chloride by measured individual adsorption isotherms of these pure compounds are presented and discussed here. The experimental data supports the idea of using these materials as selective adsorbents for separating these compounds in mixtures. To explore this possibility further, we have performed grand canonical Monte Carlo simulations using a recently proposed molecular simulation framework for gas adsorption on AlMePO, and the results are presented here. The molecular model of the material was used in a purely transferable manner from a previous work (Herdes, C.; Lin, Z.; Valente, A.; Coutinho, J. A. P.; Vega, L. F. Langmuir 2006, 22, 3097). Regarding the molecular model of the fluids, an existing model for ethyl chloride was improved to capture the experimental dipole value better; an equivalent force field for the vinyl chloride molecule was also developed for simulation purposes. Simulations of the pure compounds were found to be in excellent agreement with the measured experimental data at the three studied temperatures. Simulations were also carried out in a purely predictive manner as a tool to find the optimal conditions for the selective adsorption of these compounds prior experimental measurements are carried out. The influence of the temperature and the bulk composition on the adsorption selectivity was also investigated. Results support the use of AlMePO-alpha as an appropriate adsorbent for the purification process of vinyl chloride, upholding the selective adsorption of ethyl chloride.

  1. Molecular similarity measures.

    Science.gov (United States)

    Maggiora, Gerald M; Shanmugasundaram, Veerabahu

    2011-01-01

    Molecular similarity is a pervasive concept in chemistry. It is essential to many aspects of chemical reasoning and analysis and is perhaps the fundamental assumption underlying medicinal chemistry. Dissimilarity, the complement of similarity, also plays a major role in a growing number of applications of molecular diversity in combinatorial chemistry, high-throughput screening, and related fields. How molecular information is represented, called the representation problem, is important to the type of molecular similarity analysis (MSA) that can be carried out in any given situation. In this work, four types of mathematical structure are used to represent molecular information: sets, graphs, vectors, and functions. Molecular similarity is a pairwise relationship that induces structure into sets of molecules, giving rise to the concept of chemical space. Although all three concepts - molecular similarity, molecular representation, and chemical space - are treated in this chapter, the emphasis is on molecular similarity measures. Similarity measures, also called similarity coefficients or indices, are functions that map pairs of compatible molecular representations that are of the same mathematical form into real numbers usually, but not always, lying on the unit interval. This chapter presents a somewhat pedagogical discussion of many types of molecular similarity measures, their strengths and limitations, and their relationship to one another. An expanded account of the material on chemical spaces presented in the first edition of this book is also provided. It includes a discussion of the topography of activity landscapes and the role that activity cliffs in these landscapes play in structure-activity studies.

  2. Rationalization of the Color Properties of Fluorescein in the Solid State: A Combined Computational and Experimental Study.

    Science.gov (United States)

    Arhangelskis, Mihails; Eddleston, Mark D; Reid, David G; Day, Graeme M; Bučar, Dejan-Krešimir; Morris, Andrew J; Jones, William

    2016-07-11

    Fluorescein is known to exist in three tautomeric forms defined as quinoid, zwitterionic, and lactoid. In the solid state, the quinoid and zwitterionic forms give rise to red and yellow materials, respectively. The lactoid form has not been crystallized pure, although its cocrystal and solvate forms exhibit colors ranging from yellow to green. An explanation for the observed colors of the crystals is found using a combination of UV/Vis spectroscopy and plane-wave DFT calculations. The role of cocrystal coformers in modifying crystal color is also established. Several new crystal structures are determined using a combination of X-ray and electron diffraction, solid-state NMR spectroscopy, and crystal structure prediction (CSP). The protocol presented herein may be used to predict color properties of materials prior to their synthesis. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  3. The experimental research in the effects of 32P combined with cisplatin on the apoptosis of lung cancer cell

    International Nuclear Information System (INIS)

    Yang Nianqin; Wu Jinchuan; Huang Gang; Liu Jianjun; Cheng Xu

    2004-01-01

    Objective: To study the effects and mechanism of 32 P on the apoptosis of cultured nonsmall-cell lung cancer (NSCLC) cell line, A549, and explore the value of its apoptosis induced by radiation combined with Cisplatin. Methods: The A549 cells cultured in vitro were irradiated by 32 P and/or treated with Cisplatin of different doses. The methyl thiazolyl tetrazolium (MTT) test, transmission electron microscopy and immunocytochemistry assay, flow cytometry were used to investigate the effects of β-particles on apoptosis of A549 cells, such as cell viability, cell apoptosis rate, cell ultrastructural morphological changes and related gene expression. Results: There were significant changes in the viability, cell apoptosis rate, and cellular ultrastructure of A549 cells along with the irradiation dose increasing, compared with that in the control group; and while the Cisplatin combined with low-dose 32 P radiation, the viable cell proportion markedly decreased, cell apoptosis rate significantly increased, and cellular ultrastructure was destroyed. The expression of p53, bax gene was up-regulated and bcl-2/bax down-regulated with the apoptosis of A549 cells induced by radiation. Conclusions: Low-dose radiation combined with chemotherapy on A549 cells could inhibit its proliferation, and significantly effect on cell viability, cell apoptosis rate, cell ultrastructure, meanwhile, it could result in significant apoptosis. The induction of apoptosis may be related to the expression of p53, bcl-2 and bax gene. Low-dose radiation combined with chemotherapy could be an ideal way, which not only enhance the apoptosis of A549 cells, but also decrease the doses of both agents used in the study

  4. [Treatment of Chemotherapy Related Leukocytopenia by Oral Administration of Multiple Leucogenic Drugs Combined with G-CSF: an Experimental Study].

    Science.gov (United States)

    Zhang, Xi-ping; Zhang, Xiang; Yang, Hong-jian; Zou, De-hong; He, Xiang-ming; Yu, Xing-fei; Li, Yong-feng

    2015-07-01

    To evaluate efficacies of three commonly used oral drugs including Berbamine Hydrochloride Tablet (B), Qijiao Shengbai Capsule (Q), and Leucogen Tablet (L) (by single drug, two drugs or three drugs) combined with granulocyte colony-stimulating factor (G-CSF) for treat ment of chemotherapy related leukocytopenia in mice. Totally 156 Kunming male mice were divided into the normal control group (A, n=24), the model group (B, n=24), the G-CSF group (C, n =24), the G-CSF+Q group (D, n=12), G-CSF+ B (E, n=12), the G-CSF+L group (F, n=12), the G-CSF + Q + B group (G, n=12), the G-CSF + Q + L group (H, n=12), the G-CSF + L + B group (I, n=12), and the G-CSF + L + Q + B (J, n=12). Mouse models of chemotherapy related leukocytopenia were established by intraperitoneal injection of cyclophosphamide (CTX). A G-CSF group was set up as a positive control. Mice were treated by a single oral drug, a single oral drug combined with G-CSF, and two or three drugs combined with G-CSF respectively, and the death rate calculated. Hemocytes [such as white blood cells (WBC) and its classification, red blood cells (RBC), platelet (PLT), hemoglobin (Hb)] were calculated by hematology analyzer. Mice were anatomized and important organs weighed. Organ indices were calculated. There was no statistical difference in the mortality rate among all groups (P > 0.05). Compared with Group B, WBC was elevated in all other groups (P drug B and L (P chemotherapy related leukopenia or decreased three blood series was to administrate three commonly oral drugs combined with G-CSF. Authors speculated that G-CSF and Q might have a certain effect on CTX induced immune inhibition.

  5. An experimental study on the alteration of thermal enhancement ratio by combination of split dose hyperthermia irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Park, Sun Ok; Kim, Hee Seup [Ewha Womens University College of Medicine, Seoul (Korea, Republic of)

    1983-06-15

    The study was undertaken to evaluate the alteration of thermal enhancement ratio as a function of time intervals between two split dose hyperthermias followed by irradiation. For the experiments, 330 mice were divided into 3 groups; the first, 72 mice were used to evaluate the heat reaction by single dose hyperthermia and heat resistance by split dose hyperthermia, the second, 36 mice were used to evaluate the radiation reaction by irradiation only, and the third, 222 mice were used for TER observation by combination of single dose hyperthermia and irradiation, and TER alteration by combination of split dose hyperthermia and irradiation. For each group the skin reaction score of mouse tail was used for observation and evaluation of the result of heat and irradiation. The results obtained are summarized as follows: 1. The heating time resulting 50% necrosis (ND{sub 5}0) Was 101 minutes in 43 .deg. C and 24 minutes in 45 .deg. C hyperthermia, which indicated that three is reciprocal proportion between temperature and heating time. 2. Development of heat resistance was observed by split dose hyperthermia. 3. The degree of skin reaction by irradiation only was increased proportionally as a function of radiation dose, and calculated radiation dose corresponding to skin score 1.5 (D{sub 1}.5) was 4,137 rads. 4. Obtained thermal enhancement ratio by combination of single dose hyperthermia and irradiation was increased proportionally as a function of heating time. 5. Thermal enhancement ratio was decreased by combination of split dose hyperthermia and irradiation, which was less intense and lasted longer than development of heat resistance. In summary, these studies indicate that the alteration of thermal enhancement ratio has influence on heat resistance by split dose hyperthermia and irradiation.

  6. Experimental observation and combined investigation of high-performance fusion of iron-region isotopes in optimal growing microbiological associations

    International Nuclear Information System (INIS)

    Vysotskii, Vladimir I.; Kornilova, Alla A.; Tashirev, Alexandr B.; Kornilova, Julia

    2006-01-01

    The report represents the results of combined (Moessbauer and mass-spectroscopy) examinations of isotopes transmutation process in growing microbiological associations in the iron-region of atomic mass (50 < A < 60). It was shown that the effectiveness of isotopes transmutation during the process of growth of microbiological associations at optimal conditions is by 10-20 times more than the effectiveness of the same transmutation in one-line' (clean) microbiological cultures. (author)

  7. Evaluation of analgesic and anti-inflammatory activity of a combination of tramadol-ibuprofen in experimental animals.

    Science.gov (United States)

    Suthakaran, Chidambarann; Kayalvizhi, Muniyagounder K; Nithya, Karnam; Raja, Thozhudalangudy Ar

    2017-01-01

    Pain is the major concern of patients attending dental clinics, and satisfactory pain relief has always been difficult to achieve. Since the pathophysiology of pain is a complex, central and peripheral nervous system process, combined analgesic regimens with different mechanisms of action as a multimodal approach are becoming popular among the clinicians and dentists. The aim of the present study was to evaluate the analgesic and anti-inflammatory activity of ibuprofen and tramadol when used alone or in combination in animal models of pain and inflammation. The animals were divided into six groups with six animals in each group. Analgesic activity was assessed by hot plate method in rats and by acetic acid-induced writhing test in mice. Paw edema model in rats after induction with 0.1 mL of 1% carrageenan was used to assess the anti-inflammatory activity. Analysis of variance followed by Tukey's honestly significant difference post hoc test was used for statistical analysis. Combined use of tramadol and ibuprofen provided enhanced analgesic and anti-inflammatory effects in animal models of pain and inflammation.

  8. Evaluation of analgesic and anti-inflammatory activity of a combination of tramadol-ibuprofen in experimental animals

    Directory of Open Access Journals (Sweden)

    Chidambarann Suthakaran

    2017-01-01

    Full Text Available Background: Pain is the major concern of patients attending dental clinics, and satisfactory pain relief has always been difficult to achieve. Since the pathophysiology of pain is a complex, central and peripheral nervous system process, combined analgesic regimens with different mechanisms of action as a multimodal approach are becoming popular among the clinicians and dentists. Objectives: The aim of the present study was to evaluate the analgesic and anti-inflammatory activity of ibuprofen and tramadol when used alone or in combination in animal models of pain and inflammation. Animals and Methods: The animals were divided into six groups with six animals in each group. Analgesic activity was assessed by hot plate method in rats and by acetic acid-induced writhing test in mice. Paw edema model in rats after induction with 0.1 mL of 1% carrageenan was used to assess the anti-inflammatory activity. Statistical Analysis: Analysis of variance followed by Tukey's honestly significant difference post hoc test was used for statistical analysis. Results and Conclusion: Combined use of tramadol and ibuprofen provided enhanced analgesic and anti-inflammatory effects in animal models of pain and inflammation.

  9. Similarity Measure of Graphs

    Directory of Open Access Journals (Sweden)

    Amine Labriji

    2017-07-01

    Full Text Available The topic of identifying the similarity of graphs was considered as highly recommended research field in the Web semantic, artificial intelligence, the shape recognition and information research. One of the fundamental problems of graph databases is finding similar graphs to a graph query. Existing approaches dealing with this problem are usually based on the nodes and arcs of the two graphs, regardless of parental semantic links. For instance, a common connection is not identified as being part of the similarity of two graphs in cases like two graphs without common concepts, the measure of similarity based on the union of two graphs, or the one based on the notion of maximum common sub-graph (SCM, or the distance of edition of graphs. This leads to an inadequate situation in the context of information research. To overcome this problem, we suggest a new measure of similarity between graphs, based on the similarity measure of Wu and Palmer. We have shown that this new measure satisfies the properties of a measure of similarities and we applied this new measure on examples. The results show that our measure provides a run time with a gain of time compared to existing approaches. In addition, we compared the relevance of the similarity values obtained, it appears that this new graphs measure is advantageous and  offers a contribution to solving the problem mentioned above.

  10. Processes of Similarity Judgment

    Science.gov (United States)

    Larkey, Levi B.; Markman, Arthur B.

    2005-01-01

    Similarity underlies fundamental cognitive capabilities such as memory, categorization, decision making, problem solving, and reasoning. Although recent approaches to similarity appreciate the structure of mental representations, they differ in the processes posited to operate over these representations. We present an experiment that…

  11. Judgments of brand similarity

    NARCIS (Netherlands)

    Bijmolt, THA; Wedel, M; Pieters, RGM; DeSarbo, WS

    This paper provides empirical insight into the way consumers make pairwise similarity judgments between brands, and how familiarity with the brands, serial position of the pair in a sequence, and the presentation format affect these judgments. Within the similarity judgment process both the

  12. Durability Analysis and Experimental Validation of Environmental Barrier Coating (EBC Performance Using Combined Digital Image Correlation and NDE

    Directory of Open Access Journals (Sweden)

    Ali Abdul-Aziz

    2016-12-01

    Full Text Available To understand the failure mechanism or to predict the spallation life of environmental barrier coatings (EBC on fiber reinforced ceramic matrix composites, the fracture strength of EBC and the process of the crack growth in EBC layers need to be experimentally determined under standard or simulated engine operating conditions. The current work considers a multi layered barium strontium aluminum silicate (BSAS-based EBC-coated, melt infiltrated silicon carbide fiber reinforced silicon carbide matrix composite (MI SiC/SiC specimen that was tensile tested at room temperature. Numerous tests were performed under tensile loading conditions, and the specimen was loaded until failure under pre-determined stress levels. The specimen was examined with optical microscopy, scanning electron microscopy (SEM, computed tomography (CT scan, and digital image correlation (DIC camera. Observation from the computed tomography scanning, the SEM, and the optical microscopy did not offer conclusive information concerning the cracks that spawned during the tests. However, inspection with the DIC camera offered some indication that cracks had developed and allowed their detection and the location of their initiation site. Thus, this study provides detailed discussion of the results obtained from the experimental investigation and the nondestructive evaluation (NDE, and it also includes assessment of the stress response predicted by analytical modeling and their impact on EBC durability and crack growth formation under complex loading settings.

  13. Use of gamma-radiation and ethyl nitrosourea independently and in combination in experimental mutagenesis in peas. Pt. 1

    International Nuclear Information System (INIS)

    Lejtao, Zh.; Petkova, S.; Dzhondzhurov, L.

    1987-01-01

    Dry seeds from field peas cv. Uladovskij 303 were treated for three years with gamma rays (280 to 250 rad/min) and with the powerful chemical mutagen/carcinogen ethyl nitrosourea - ENU (solution prepared in phosphate buffer, ph=6.0). The seeds were exposed to ENU for 6 h, washed out for 30 min and dried for 30 min. The following qualitative indices were investigated: emergence; survival; sterility; lethality; vegetation period and plant's height one month after sowing. They could be used successfully to determine the injurious effects of the mutagens. A clear-cut dependence on the used dose and concentration was observed independently if the mutagens were applied separately or in combination. Quantitative indices determined at the end of the vegetation: branches per plant, sterile nodes, nodes per plant, number of pods and seeds per plant as well as plant's height did not show any clear-cut tendency when treatments were made in combination. Their determination, in field conditions, seemed to be without significance. As theoretically it was expected, pre-radiation use of ENU leads to a stronger injurious effect in comparison to that of post-radiation treatment. Concerning induced leaf-spots (leaf aberrations) in M 1 -generation, the results were in complete disagreement with the theory: pre-radiation treatment with ENU (at combination 3.12 mM ENU + 12 krad), which provoked a very high injury (lethality - 80-90%), showed a very little percent of plants with a high level of leaf aberrations. On the contrary, post-radiation treatment with ENU (lethality - 40-60%) caused a high level of leaf aberrations in greater number of plants. The presence of 'gamma plantlets' phenomenon is proposed for possible explanation. 3 tabs.; 9 refs

  14. The semantic similarity ensemble

    Directory of Open Access Journals (Sweden)

    Andrea Ballatore

    2013-12-01

    Full Text Available Computational measures of semantic similarity between geographic terms provide valuable support across geographic information retrieval, data mining, and information integration. To date, a wide variety of approaches to geo-semantic similarity have been devised. A judgment of similarity is not intrinsically right or wrong, but obtains a certain degree of cognitive plausibility, depending on how closely it mimics human behavior. Thus selecting the most appropriate measure for a specific task is a significant challenge. To address this issue, we make an analogy between computational similarity measures and soliciting domain expert opinions, which incorporate a subjective set of beliefs, perceptions, hypotheses, and epistemic biases. Following this analogy, we define the semantic similarity ensemble (SSE as a composition of different similarity measures, acting as a panel of experts having to reach a decision on the semantic similarity of a set of geographic terms. The approach is evaluated in comparison to human judgments, and results indicate that an SSE performs better than the average of its parts. Although the best member tends to outperform the ensemble, all ensembles outperform the average performance of each ensemble's member. Hence, in contexts where the best measure is unknown, the ensemble provides a more cognitively plausible approach.

  15. Combination use of lentinan with x-ray therapy in mouse experimental tumor system, (1). Fundamental studies

    Energy Technology Data Exchange (ETDEWEB)

    Shiio, Tsuyoshi; Tsuchiya, Yoshiharu; Ohishi, Kazuo; Yoshihama, Takashi

    1988-02-01

    Apparent reduction of leukocyte counts was observed in mice irradiated with 1,500 approx. 3,000 rads of X-ray on the left hind leg. This reduction of leukocyto counts was completely protected by the pre-treatment with lentinan before X-ray irradiation. Suppressive effect of X-ray on the antitumor function of lentinan seems to be weak. When treatment with X-ray irradiation and lentinan was applied for mice bearing solid type sarcoma 180, additive effect was obtained by the combination of lentinan before or after X-ray irradiation.

  16. Experimental substantiation of combined methods for designing processes for the commercial preparation of gas at gas condensate fields

    Energy Technology Data Exchange (ETDEWEB)

    Gurevich, G R; Karlinskii, E D; Posypkina, T V

    1977-04-01

    An analysis is made of the possibility of using two analytical methods for studying vapor--liquid equilibrium of hydrocarbon mixtures that are used in designing the separation of natural gas and the stabilization of condensate--the Chao and Sider method, which uses computations by equilibrium constants. A combined computational method is proposed for describing a unified process of natural gas separation and condensate stabilization. The method of preparing the original data for the computation of the separation and stabilization processes can be significantly simplified. 10 references, 1 table.

  17. Apneic oxygenation combined with extracorporeal arteriovenous carbon dioxide removal provides sufficient gas exchange in experimental lung injury

    DEFF Research Database (Denmark)

    Nielsen, Niels Dalsgaard; Kjærgaard, Benedict; Nielsen, Jakob Koefoed

    In this porcine lung injury model, apneic oxygenation with arteriovenous CO2 removal provided sufficient gas exchange and stable hemodynamics, indicating that the method might have a potential in the treatment of severe ARDS.   Acknowledgements The membrane lungs were kindly provided by Novalung GmbH, Germany.......Background and aim of study We hypothesized that continuous high airway pressure without ventilatory movements (apneic oxygenation), using an open lung approach, combined with extracorporeal, pumpless, arterio-venous, carbon dioxide (CO2) removal would provide adequate gas exchange in acute lung...

  18. [The effects of the combined use of mineral water with ascorbic acid and rutin experimentally and clinically].

    Science.gov (United States)

    Polushina, N D; Kartazaeva, V A; Botvineva, L A; Kozhevnikov, S A

    2000-01-01

    Effects of a single and course intake of glucose, ascorbic acid and rutin in combination with mineral water Essentuki N17 on blood levels of glucose, hydrocortisone, ACTH, insulin were studied in 336 Wistar male rats. 80 patients with diabetes mellitus type I and II received a course of ascorutin and mineral water. Mineral water proved able to reduce a hyperglycemic effect of vitamins. A course of mineral water and ascorutin promotes improvement of carbohydrate, lipid metabolism, elevates plasma content of ascorbic acid, diminishes the need in sugar-reducing drugs.

  19. Striking regression of subcutaneous fibrosis induced by high doses of gamma rays using a combination of pentoxifylline and α-tocopherol: an experimental study

    International Nuclear Information System (INIS)

    Lefaix, Jean-Louis; Delanian, Sylvie; Vozenin, Marie-Catherine; Leplat, Jean-Jacques; Tricaud, Yves; Martin, Michele

    1999-01-01

    Purpose: To establish a successful treatment of subcutaneous fibrosis developing after high doses of gamma rays, suitable for use in clinical practice. Methods and Materials: We used an animal model of acute localized gamma irradiation simulating accidental overexposure in humans. Three groups of 5 Large White pigs were irradiated using a collimated 192 Ir source to deliver a single dose of 160 Gy onto the skin surface (100%) of the outer side of the thigh. A well-defined block of necrosis developed within a few weeks which had healed after 26 weeks to leave a block of subcutaneous fibrosis involving skin and skeletal muscle. One experimental group of 5 pigs was dosed orally for 26 weeks starting 26 weeks after irradiation with 1600 mg/120 kg body weight of pentoxifylline (PTX) included in the reconstituted food during its fabrication, and another group of 5 was dosed orally for the same period with a daily dose of 1600 mg/120 kg body weight of PTX combined with 2000 IU/120 kg body weight of α-tocopherol. Five irradiated control pigs were given normal food only. Animals were assessed for changes in the density of the palpated fibrotic block and in the dimensions of the projected cutaneous surface. Depth of scar tissue was determined by ultrasound. Physical and sonographic findings were confirmed by autopsy 26 weeks after treatment started. The density, length, width, and depth of the block of fibrotic scar tissue, and the areas and volume of its projected cutaneous surface, were compared before treatment, 6 and 13 weeks thereafter, and at 26 weeks. Results: The experimental animals exhibited no change in behavior and no abnormal clinical or anatomic signs. No modifications were observed in the block of fibrotic scar tissue of pigs dosed with PTX alone. However, significant softening and shrinking of this block were noted in the pigs dosed with PTX + α-tocopherol 13 weeks after treatment started and at autopsy, when mean regression was ∼ 30% for length, ∼ 50

  20. Combined local and systemic antibiotic delivery improves eradication of wound contamination: An animal experimental model of contaminated fracture.

    Science.gov (United States)

    Rand, B C C; Penn-Barwell, J G; Wenke, J C

    2015-10-01

    Systemic antibiotics reduce infection in open fractures. Local delivery of antibiotics can provide higher doses to wounds without toxic systemic effects. This study investigated the effect on infection of combining systemic with local antibiotics via polymethylmethacrylate (PMMA) beads or gel delivery. An established Staphylococcus aureus contaminated fracture model in rats was used. Wounds were debrided and irrigated six hours after contamination and animals assigned to one of three groups, all of which received systemic antibiotics. One group had local delivery via antibiotic gel, another PMMA beads and the control group received no local antibiotics. After two weeks, bacterial levels were quantified. Combined local and systemic antibiotics were superior to systemic antibiotics alone at reducing the quantity of bacteria recoverable from each group (p = 0.002 for gel; p = 0.032 for beads). There was no difference in the bacterial counts between bead and gel delivery (p = 0.62). These results suggest that local antibiotics augment the antimicrobial effect of systemic antibiotics. Although no significant difference was found between vehicles, gel delivery offers technical advantages with its biodegradable nature, ability to conform to wound shape and to deliver increased doses. Further study is required to see if the gel delivery system has a clinical role. ©2015 The British Editorial Society of Bone & Joint Surgery.

  1. Validity of a combined fibromyalgia (FM) questionnaires to asses physical activity levels in Spanish elderly women: an experimental approach.

    Science.gov (United States)

    Cancela, José María; Varela, Silvia; Alvarez, María José; Molina, Antonio; Ayán, Carlos; Martín, Vicente

    2011-01-01

    Questionnaires designed to assess the level of physical activity among elderly Spanish speaking women usually have problems of reproducibility and are difficult to administer. This study aims to validate a Spanish combined version of two questionnaires originally designed to assess physical activity levels in fibromyalgia women. The leisure time physical activity instrument (LTPAI) and the physical activity at home and work instrument (PAHWI). Both questionnaires were translated to Spanish using translation/back translation methodology, and then were administered to 44 women aged 60-80 twice, with an interval of 2 weeks. During the first administration, participants answered the Yale physical activity questionnaires (YPAS) and performed the 6-min walking test (6MWT). Although the Spanish version of the LTPAI and the PAWHI showed poor test-retest reliability and poor construct validity, the sum of the two questionnaires showed much better associations. The results suggest that the Spanish combined version of LTPAI and PAHWI would seem to be useful tools for assessing the level of physical activity among elderly Spanish speaking women. Nevertheless, such considerations as the cultural adaptation of their content or the link between the intensity of physical activity as perceived and that actually done must be adjusted for greater efficiency. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

  2. A combined experimental and computational study of deformation in grains of biomedical grade 316LVM stainless steel

    International Nuclear Information System (INIS)

    You, X.; Connolley, T.; McHugh, P.E.; Cuddy, H.; Motz, C.

    2006-01-01

    In this work three-dimensional crystal plasticity finite element models are used to simulate the tensile deformation of a thin 316LVM stainless steel specimen. Such models are of interest for predicting the mechanical response of cardiovascular stents, typically made from thin struts of this material. Detailed experimental analysis of the mechanical response of the specimen during deformation is performed using scanning electron microscopy, digital photogrammetry and orientation imaging microscopy to examine microscale strain distribution, plastic slip and grain reorientation. At the macroscale, the models are found to give good predictions of the stress-strain response of the specimen, and at the microscale the models are found to give good predictions of the strain distribution and the active slip systems in the different grains. The models are less successful in predicting grain reorientations. This, however, is shown to be quite sensitive to the choice of latent hardening ratio

  3. A combined experimental and computational study of deformation in grains of biomedical grade 316LVM stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    You, X. [National Centre for Biomedical Engineering Science, National University of Ireland, Galway (Ireland); Connolley, T. [National Centre for Biomedical Engineering Science, National University of Ireland, Galway (Ireland); McHugh, P.E. [National Centre for Biomedical Engineering Science, National University of Ireland, Galway (Ireland) and Department of Mechanical and Biomedical Engineering, National University of Ireland, University Road, Galway (Ireland)]. E-mail: peter.mchugh@nuigalway.ie; Cuddy, H. [National Centre for Biomedical Engineering Science, National University of Ireland, Galway (Ireland); Motz, C. [Erich Schmid Institute, Austrian Academy of Sciences, Jahnstrasse 12, A-8700 Leoben (Austria)

    2006-10-15

    In this work three-dimensional crystal plasticity finite element models are used to simulate the tensile deformation of a thin 316LVM stainless steel specimen. Such models are of interest for predicting the mechanical response of cardiovascular stents, typically made from thin struts of this material. Detailed experimental analysis of the mechanical response of the specimen during deformation is performed using scanning electron microscopy, digital photogrammetry and orientation imaging microscopy to examine microscale strain distribution, plastic slip and grain reorientation. At the macroscale, the models are found to give good predictions of the stress-strain response of the specimen, and at the microscale the models are found to give good predictions of the strain distribution and the active slip systems in the different grains. The models are less successful in predicting grain reorientations. This, however, is shown to be quite sensitive to the choice of latent hardening ratio.

  4. A combined theoretical and experimental study of the polymer inter-chain structure in poly(phenylene vinylene) derivatives

    International Nuclear Information System (INIS)

    Sumpter, B G; Drummond, M L; Shelton, W A; Valeev, E F; Barnes, M D

    2008-01-01

    The structures and photophysical properties of single molecule MEH-PPV (2-methoxy-5-(2'-ethyl-hexyloxy)-p-phenylenevinylene) and CN-PPV (2,5,2' ,5'-tetrahexyloxy-7,8'-dicyano-p-phenylenevinylene) nanoparticles are investigated using electronic structure theory and high resolution fluorescence experiments. It is shown that electron withdrawing substituents, such as CN, on the vinyl group of the PPV polymer backbone cause substantial change in the π electronic structure which subsequently decreases the inter-chain distance. Not only does CN-PPV have a smaller inter-chain separation compared to MEH-PPV, but also an increased binding energy and more efficient charge transport (carrier mobility) due to larger electronic coupling (charge transfer integrals). These changes help explain the enhanced luminescence quantum yield, photo-stability, and lifetime for CN-PPV versus MEH-PPV observed in experimental high resolution fluorescence imaging of individual single molecule nanoparticles

  5. Optimization of glibenclamide tablet composition through the combined use of differential scanning calorimetry and D-optimal mixture experimental design.

    Science.gov (United States)

    Mura, P; Furlanetto, S; Cirri, M; Maestrelli, F; Marras, A M; Pinzauti, S

    2005-02-07

    A systematic analysis of the influence of different proportions of excipients on the stability of a solid dosage form was carried out. In particular, a d-optimal mixture experimental design was applied for the evaluation of glibenclamide compatibility in tablet formulations, consisting of four classic excipients (natrosol as binding agent, stearic acid as lubricant, sorbitol as diluent and cross-linked polyvinylpyrrolidone as disintegrant). The goal was to find the mixture component proportions which correspond to the optimal drug melting parameters, i.e. its maximum stability, using differential scanning calorimetry (DSC) to quickly obtain information about possible interactions among the formulation components. The absolute value of the difference between the melting peak temperature of pure drug endotherm and that in each analysed mixture and the absolute value of the difference between the enthalpy of the pure glibenclamide melting peak and that of its melting peak in the different analyzed mixtures, were chosen as indexes of the drug-excipient interaction degree.

  6. Combined experimental and theoretical approach to understand the reactivity of a mononuclear Cu(II)-hydroperoxo complex in oxygenation reactions.

    Science.gov (United States)

    Kamachi, Takashi; Lee, Yong-Min; Nishimi, Tomonori; Cho, Jaeheung; Yoshizawa, Kazunari; Nam, Wonwoo

    2008-12-18

    A copper(II) complex bearing a pentadentate ligand, [Cu(II)(N4Py)(CF(3)SO(3))(2)] (1) (N4Py = N,N-bis(2-pyridylmethyl)bis(2-pyridyl)methylamine), was synthesized and characterized with various spectroscopic techniques and X-ray crystallography. A mononuclear Cu(II)-hydroperoxo complex, [Cu(II)(N4Py)(OOH)](+) (2), was then generated in the reaction of 1 and H(2)O(2) in the presence of base, and the reactivity of the intermediate was investigated in the oxidation of various substrates at -40 degrees C. In the reactivity studies, 2 showed a low oxidizing power such that 2 reacted only with triethylphosphine but not with other substrates such as thioanisole, benzyl alcohol, 1,4-cyclohexadiene, cyclohexene, and cyclohexane. In theoretical work, we have conducted density functional theory (DFT) calculations on the epoxidation of ethylene by 2 and a [Cu(III)(N4Py)(O)](+) intermediate (3) at the B3LYP level. The activation barrier is calculated to be 39.7 and 26.3 kcal/mol for distal and proximal oxygen attacks by 2, respectively. This result indicates that the direct ethylene epoxidation by 2 is not a plausible pathway, as we have observed in the experimental work. In contrast, the ethylene epoxidation by 3 is a downhill and low-barrier process. We also found that 2 cannot be a precursor to 3, since the homolytic cleavage of the O-O bond of 2 is very endothermic (i.e., 42 kcal/mol). On the basis of the experimental and theoretical results, we conclude that a mononuclear Cu(II)-hydroperoxo species bearing a pentadentate N5 ligand is a sluggish oxidant in oxygenation reactions.

  7. Experimental investigation on the combined use of C1O2 and NaC1O for drinking water treatment

    International Nuclear Information System (INIS)

    Sani, B.; Rossi, L.; Santianni, D.; Anichini, B.; Caretti, C.; Lubello, C.

    2005-01-01

    In Italy, most of the plants producing water for human consumption, use Chlorine Dioxide (C1O 2 ) and Sodium Hypochlorite (NaC1O) for the oxidation and disinfection treatments. These chemical disinfectants, which are very effective as regards the oxidation power, the disinfection capability and the bacteriostatic action, produce by-products harmful for human health: Chlorite and Trihalomethanes (THMs) respectively. The Italian Regulations (D.Lgs. 31/2001) sets very restrictive limits for the maximum concentration of these by-products in drinking water. Moreover, from December 2006, the limit for chlorite will be even more restrictive and, with present treatment process, the compliance with the regulation will be very difficult. Therefore the experimentation of alternative treatment techniques and products is of great interest. This article presents an experimental investigation on the combined use of C1O 2 and NaC1O in the treatment of final water from two different plants producing drinking water in Florence. The main objective of this investigation was to evaluate the use of these two products in combination so as to keep the advantages (disinfection efficiency and stability in water) and to minimize the disadvantages (by-products formation) present when using this products separately. Positive results achieved in the experimental phase were used to evaluate the possible applications on real drinking water treatment conditions [it

  8. Gender similarities and differences.

    Science.gov (United States)

    Hyde, Janet Shibley

    2014-01-01

    Whether men and women are fundamentally different or similar has been debated for more than a century. This review summarizes major theories designed to explain gender differences: evolutionary theories, cognitive social learning theory, sociocultural theory, and expectancy-value theory. The gender similarities hypothesis raises the possibility of theorizing gender similarities. Statistical methods for the analysis of gender differences and similarities are reviewed, including effect sizes, meta-analysis, taxometric analysis, and equivalence testing. Then, relying mainly on evidence from meta-analyses, gender differences are reviewed in cognitive performance (e.g., math performance), personality and social behaviors (e.g., temperament, emotions, aggression, and leadership), and psychological well-being. The evidence on gender differences in variance is summarized. The final sections explore applications of intersectionality and directions for future research.

  9. Combined experimental and statistical strategy for mass spectrometry based serum protein profiling for diagnosis of breast cancer

    DEFF Research Database (Denmark)

    Callesen, Anne Kjærgaard; Vach, Werner; Jørgensen, Per E

    2008-01-01

    it in a well-described breast cancer case-control study. A rigorous sample collection protocol ensured high quality specimen and reduced bias from preanalytical factors. Preoperative serum samples obtained from 48 breast cancer patients and 28 controls were used to generate MALDI MS protein profiles. A total...... and controls. A diagnostic rule based on these 72 mass values was constructed and exhibited a cross-validated sensitivity and specificity of approximately 85% for the detection of breast cancer. With this method, it was possible to distinguish early stage cancers from controls without major loss of sensitivity...... and specificity. We conclude that optimized serum sample handling and mass spectrometry data acquisition strategies in combination with statistical analysis provide a viable platform for serum protein profiling in cancer diagnosis....

  10. [Experimental study on aging effect of Angelica sinensis polysaccharides combined with cytarabine on human leukemia KG1alpha cell lines].

    Science.gov (United States)

    Xu, Chun-Yan; Geng, Shan; Liu, Jun; Zhu, Jia-Hong; Zhang, Xian-Ping; Jiang, Rong; Wang, Ya-Ping

    2014-04-01

    The latest findings of our laboratory showed that Angelica sinensis polysaccharide (ASP) showed a definite effect in regulating the aging of hematopoietic stem cells. Leukemia is a type of malignant hematopoietic tumor in hematopoietic stem cells. There have been no relevant reports about ASP's effect in regulating the aging of leukemia cells. In this study, human acute myeloid leukemia (AML) KG1alpha cell lines in logarithmic growth phase were taken as the study object, and were divided into the ASP group, the cytarabine (Ara-C) group, the ASP + Ara-C group and the control group. The groups were respectively treated with different concentration of ASP, Ara-C and ASP + Ara-C for different periods, with the aim to study the effect of ASP combined with Ara-C in regulating the aging of human acute myeloid leukemia KG1alpha cell lines and its relevant mechanism. The results showed that ASP, Ara-C and ASP + Ara-C could obviously inhibit KG1alpha cell proliferation in vitro, block the cells in G0/G1 phase. The cells showed the aging morphological feature. The percentage of positive stained aging cells was dramatically increased, and could significantly up-regulate the expression of aging-related proteins P16 and RB, which were more obvious in the ASP + Ara-C group. In conclusion, the aging mechanism of KG1alpha cell induced by ASP and Ara-C may be related to the regulation of the expression of aging-related proteins, suggesting that the combined administration of ASP and anticancer drugs plays a better role in the treatment of leukemia .

  11. Determination of Actual Friction Factors in Metal Forming under Heavy Loaded Regimes Combining Experimental and Numerical Analysis

    Science.gov (United States)

    Camacho, Ana María; Veganzones, Mariano; Claver, Juan; Martín, Francisco; Sevilla, Lorenzo; Sebastián, Miguel Ángel

    2016-01-01

    Tribological conditions can change drastically during heavy loaded regimes as experienced in metal forming; this is especially critical when lubrication can only be applied at the early stage of the process because the homogeneous lubricant layer can break along the die-workpiece interface. In these cases, adopting a constant friction factor for the lubricant-surface pair may not be a valid assumption. This paper presents a procedure based on the use of dual friction factor maps to determine friction factors employed in heavy loaded regimes. A finite element (FE) simulation is used to obtain the friction factor map for the alloy UNS A96082. Experiments were conducted using four lubricants (aluminum anti-size, MoS2 grease, silicone oil, and copper paste) to determine the actual friction curves. The experimental procedure is based on the application of lubricant only at the beginning of the first stage of ring compression, and not at intermediate stages as is usual in typical ring compression tests (RCTs). The results show that for small reductions (rh 20%), it is recommended to obtain an average value of the friction factor for every lubricant-surface pair in the range of deformation considered. PMID:28773868

  12. A Combined Optical, Thermal and Electrical Performance Study of a V-Trough PV System—Experimental and Analytical Investigations

    Directory of Open Access Journals (Sweden)

    Haitham M. Bahaidarah

    2015-04-01

    Full Text Available The objective of this study was to achieve higher efficiency of a PV system while reducing of the cost of energy generation. Concentration photovoltaics was employed in the present case as it uses low cost reflectors to enhance the efficiency of the PV system and simultaneously reduces the cost of electricity generation. For this purpose a V-trough integrated with the PV system was employed for low concentration photovoltaic (LCPV. Since the electrical output of the concentrating PV system is significantly affected by the temperature of the PV cells, the motivation of the research also included studying the ability to actively cool PV cells to achieve the maximum benefit. The optical, thermal and electrical performance of the V-trough PV system was theoretically modeled and validated with experimental results. Optical modeling of V-trough was carried out to estimate the amount of enhanced absorbed radiation. Due to increase in the absorbed radiation the module temperature was also increased which was predicted by thermal model. Active cooling techniques were studied and the effect of cooling was analyzed on the performance of V-trough PV system. With absorbed radiation and module temperature as input parameters, electrical modeling was carried out and the maximum power was estimated. For the V-trough PV system, experiments were performed for validating the numerical models and very good agreement was found between the two.

  13. Combined experimental and theoretical assessments of the lattice dynamics and optoelectronics of TaON and Ta3N5

    KAUST Repository

    Nurlaela, Ela; Harb, Moussab; Del Gobbo, Silvano; Vashishta, Manish; Takanabe, Kazuhiro

    2015-01-01

    Presented herein is a detailed discussion of the properties of the lattice dynamic and optoelectronic properties of tantalum(V) oxynitride (TaON) and tantalum(V) nitride (Ta3N5), from experimental and theoretical standpoint. The active Raman and infra red (IR) frequencies of TaON and Ta3N5 were measured using confocal Raman and Fourier Transform Infrared spectroscopies (FTIR) and calculated using the linear response method within the density functional perturbation theory (DFPT). The detailed study leads to an exhaustive description of the spectra, including the symmetry of the vibrational modes. Electronic structures of these materials were computed using DFT within the range-separated hybrid HSE06 exchange–correlation formalism. Electronic and ionic contributions to the dielectric constant tensors of these materials were obtained from DFPT within the linear response method using the PBE functional. Furthermore, effective mass of photogenerated holes and electrons at the band edges of these compounds were computed from the electronic band structure obtained at the DFT/HSE06 level of theory. The results suggest that anisotropic nature in TaON and Ta3N5 is present in terms of dielectric constant and effective masses.

  14. Combined experimental and theoretical assessments of the lattice dynamics and optoelectronics of TaON and Ta3N5

    KAUST Repository

    Nurlaela, Ela

    2015-06-15

    Presented herein is a detailed discussion of the properties of the lattice dynamic and optoelectronic properties of tantalum(V) oxynitride (TaON) and tantalum(V) nitride (Ta3N5), from experimental and theoretical standpoint. The active Raman and infra red (IR) frequencies of TaON and Ta3N5 were measured using confocal Raman and Fourier Transform Infrared spectroscopies (FTIR) and calculated using the linear response method within the density functional perturbation theory (DFPT). The detailed study leads to an exhaustive description of the spectra, including the symmetry of the vibrational modes. Electronic structures of these materials were computed using DFT within the range-separated hybrid HSE06 exchange–correlation formalism. Electronic and ionic contributions to the dielectric constant tensors of these materials were obtained from DFPT within the linear response method using the PBE functional. Furthermore, effective mass of photogenerated holes and electrons at the band edges of these compounds were computed from the electronic band structure obtained at the DFT/HSE06 level of theory. The results suggest that anisotropic nature in TaON and Ta3N5 is present in terms of dielectric constant and effective masses.

  15. A combined theoretical and experimental approach of a new ternary metal oxide in molybdate composite for hybrid energy storage capacitors

    Science.gov (United States)

    Minakshi, M.; Watcharatharapong, T.; Chakraborty, S.; Ahuja, R.

    2018-04-01

    Sustainable energy sources require an efficient energy storage system possessing excellent electrochemical properties. The better understanding of possible crystal configurations and the development of a new ternary metal oxide in molybdate composite as an electrode for hybrid capacitors can lead to an efficient energy storage system. Here, we reported a new ternary metal oxide in molybdate composite [(Mn1/3Co1/3Ni1/3)MoO4] prepared by simple combustion synthesis with an extended voltage window (1.8 V vs. Carbon) resulting in excellent specific capacity 35 C g-1 (58 F g-1) and energy density (50 Wh kg-1 at 500 W kg-1) for a two electrode system in an aqueous NaOH electrolyte. The binding energies measured for Mn, Co, and Ni 2p are consistent with the literature, and with the metal ions being present as M(II), implying that the oxidation states of the transition metals are unchanged. The experimental findings are correlated well through density functional theory based electronic structure calculations. Our reported work on the ternary metal oxide studies (Mn1/3Co1/3Ni1/3)MoO4 suggests that will be an added value to the materials for energy storage.

  16. A combined experimental and in silico characterization to highlight additional structural features and properties of a potentially new drug

    Science.gov (United States)

    Bastos, Isadora T. S.; Costa, Fanny N.; Silva, Tiago F.; Barreiro, Eliezer J.; Lima, Lídia M.; Braz, Delson; Lombardo, Giuseppe M.; Punzo, Francesco; Ferreira, Fabio F.; Barroso, Regina C.

    2017-10-01

    LASSBio-1755 is a new cycloalkyl-N-acylhydrazone parent compound designed for the development of derivatives with antinociceptive and anti-inflammatory activities. Although single crystal X-ray diffraction has been considered as the golden standard in structure determination, we successfully used X-ray powder diffraction data in the structural determination of new synthesized compounds, in order to overcome the bottle-neck due to the difficulties experienced in harvesting good quality single crystals of the compounds. We therefore unequivocally assigned the relative configuration (E) to the imine double bond and a s-cis conformation of the amide function of the N-acylhydrazone compound. These features are confirmed by a computational analysis performed on the basis of molecular dynamics calculations, which are extended not only to the structural characteristics but also to the analysis of the anisotropic atomic displacement parameters, a further information - missed in a typical powder diffraction analysis. The so inferred data were used to perform additional cycles of refinement and eventually generate a new cif file with additional physical information. Furthermore, crystal morphology prediction was performed, which is in agreement with the experimental images acquired by scanning electron microscopy, thus providing useful information on possible alternative paths for better crystallization strategies.

  17. Excited-state proton transfer of 4-hydroxyl-1, 8-naphthalimide derivatives: A combined experimental and theoretical investigation

    Energy Technology Data Exchange (ETDEWEB)

    Qu, Zongjin; Li, Peng; Zhang, Xuexiang; Wang, Endong; Wang, Yanni; Zhou, Panwang, E-mail: pwzhou@dicp.ac.cn

    2016-09-15

    The photophysical properties of N-butyl-4-hydroxyl-1, 8-naphthalimide (BOH) and N-(morpholinoethyl)−4-hydroxy-1, 8-naphthalimide (MOH) in various solvents are presented and the density functional theory (DFT)/time-dependent density functional theory (TDDFT) methods at the B3LYP/TZVP theoretical level are adopted to investigate the UV–visible absorption and emission data. An efficient intermolecular excited-state proton transfer (ESPT) reaction occurs for both compounds in DMSO, methanol and water. In aqueous solution, both BOH and MOH can be used as ratiometric pH probes and perform as strong photoacids with pKa*=−2.2, −2.4, respectively. Most interestingly, in the steady-state fluorescence spectra of BOH and MOH in concentrated HCl, an unexpected blue-shifted band is observed and assumed to originate from the contact ion pair (CIP) formed by hydronium ion and the anionic form of the photoacid resulted from ESPT. Theoretical calculations are used to simulate the CIP in the case of BOH, which afford reasonable results compared with the experimental data.

  18. Halide salts and their structural properties in presence of secondary amine based molecule: A combined experimental and theoretical analysis

    Science.gov (United States)

    Ghosh, Pritam; Hazra, Abhijit; Ghosh, Meenakshi; Chandra Murmu, Naresh; Banerjee, Priyabrata

    2018-04-01

    Biologically relevant halide salts and its solution state structural properties are always been significant. In general, exposure of halide salts into polar solution medium results in solvation which in turn separates the cationic and anionic part of the salt. However, the conventional behaviour of salts might alter in presence of any secondary amine based compound, i.e.; moderately strong Lewis acid. In its consequence, to investigate the effect of secondary amine based compound in the salt solution, novel (E)-2-(4-bromobenzylidene)-1-(perfluorophenyl) hydrazine has been synthesized and used as secondary amine source. The secondary amine compound interestingly shows a drastic color change upon exposure to fluoride salts owing to hydrogen bonding interaction. Several experimental methods, e.g.; SCXRD, UV-Vis, FT-IR, ESI-MS and DLS together with modern DFT (i.e.; DFT-D3) have been performed to explore the structural properties of the halide salts upon exposure to secondary amine based compound. The effect of counter cation of the fluoride salt in binding with secondary amine source has also been investigated.

  19. Surface-enhanced Raman spectroscopic studies of the Au-pentacene interface: a combined experimental and theoretical investigation.

    Science.gov (United States)

    Adil, D; Guha, S

    2013-07-28

    It has recently been shown [D. Adil and S. Guha, J. Phys. Chem. C 116, 12779 (2012)] that a large enhancement in the Raman intensity due to surface-enhanced Raman scattering (SERS) is observed from pentacene when probed through the Au contact in organic field-effect transistors (OFET) structures. Here, the SERS spectrum is shown to exhibit a high sensitivity to disorder introduced in the pentacene film by Au atoms. The Raman signature of the metal-semiconductor interface in pentacene OFETs is calculated with density-functional theory by explicitly considering the Au-pentacene interaction. The observed enhancement in the 1380 cm(-1) and the 1560 cm(-1) regions of the experimental Raman spectrum of pentacene is successfully modeled by Au-pentacene complexes, giving insights into the nature of disorder in the pentacene sp(2) network. Finally, we extend our previous work on high-operating voltage pentacene OFETs to low-operating voltage pentacene OFETs. No changes in the SERS spectra before and after subjecting the OFETs to a bias stress are observed, concurrent with no degradation in the threshold voltage. This shows that bias stress induced performance degradation is, in part, caused by field-induced structural changes in the pentacene molecule. Thus, we confirm that the SERS spectrum can be used as a visualization tool for correlating transport properties to structural changes, if any, in organic semiconductor based devices.

  20. A Combined Theoretical and Experimental View on Valence and Conduction Band Densities of States of Lead Halide Perovskites

    Science.gov (United States)

    Kronik, Leeor; Endres, James; Egger, David A.; Kulbak, Michael; Kerner, Ross A.; Zhao, Lianfeng; Silver, Scott H.; Hodes, Gary; Rand, Barry P.; Cahen, David; Kahn, Antoine

    We present results for the valence and conduction band density of states (DOS), measured via ultraviolet and inverse photoemission spectroscopies for three lead halide perovskites. Specifically, the DOS of MAPbI3, MAPbBr3, and CsPbBr3, grown on different substrates, are compared. Theoretical DOS, calculated via hybrid density functional theory and including spin-orbit coupling, are compared to experimental data. The agreement between experiment and theory, obtained after correcting the latter for quantitative discrepancies, leads to the identification of valence and conduction band spectral features. In particular, this comparison allows for precise determination of the energy position of the band edges, namely ionization energies and electron affinities of these materials. We find an unusually low DOS at the valence band maximum (VBM) of these systems, which confirms and generalizes previous findings of strong band dispersion and low DOS at the VBM of MAPbI3. This calls for special attention when using electron spectroscopy to determine the frontier electronic states of lead halide perovskites.

  1. Comparative antioxidant status in freshwater fish Carassius auratus exposed to six current-use brominated flame retardants: A combined experimental and theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Mingbao; Qu, Ruijuan; Wang, Chao; Wang, Liansheng; Wang, Zunyao, E-mail: wangzun315cn@163.com

    2013-09-15

    Highlights: •A combined experimental and theoretical approach was used for risk assessments of six BFRs in fish. •Oxidative stress biomarkers were measured for toxicity identification. •Toxicity order was proposed via the integrated biomarker response. •Theoretical calculations were performed to analyze the BFRs toxicity. -- Abstract: Decabromodiphenyl ether (BDE-209) and several non-polybrominated diphenyl ether (PBDE) brominated flame retardants (BFRs), such as tetrabromobisphenol A (TBBPA), hexabromocyclododecane (HBCD), decabromodiphenyl ethane (DBDPE), hexabromobenzene (HBB) and pentabromotoluene (PBT), are persistent halogenated contaminants ubiquitously detected in aquatic systems. However, data on comparative toxicological effects of these BFRs are lacking for fish. In this study, a combined experimental and theoretical approach was used to compare and analyze the effects of these BFRs on biochemical biomarkers in liver of Carassius auratus injected intraperitoneally with different doses (10 and 100 mg/kg) for 7, 14 and 30 days. Oxidative stress was evoked evidently for the prolonged exposure, represented by the significantly altered indices (superoxide dismutase, catalase, glutathione peroxidase, reduced glutathione, and malondialdehyde). The integrated biomarker response (IBR) index ranked biotoxicity as: PBT > HBB > HBCD > TBBPA > BDE-209 > DBDPE. Quantum chemical calculations (electronic parameters, frontier molecular orbitals, and Wiberg bond order) were performed for theoretical analysis. Notably, some descriptors were correlated with the toxicity order, probably implying the existence of a potential structure–activity relationship when more BFRs were included. Besides, theoretical calculations also provided some valuable information regarding the molecular characteristics and metabolic pathways of these current-use BFRs, which may facilitate the understanding on their environmental behavior and fate. Overall, this study adopted a combined

  2. Experimental Study of 5-fluorouracil Encapsulated Ethosomes Combined with CO2 Fractional Laser to Treat Hypertrophic Scar.

    Science.gov (United States)

    Zhang, Zhen; Chen, Jun; Huang, Jun; Wo, Yan; Zhang, Yixin; Chen, Xiangdong

    2018-01-18

    This study is designed to explore permeability of ethosomes encapsulated with 5-florouracil (5-FU) mediated by CO 2 fractional laser on hypertrophic scar tissues. Moreover, therapeutic and duration effect of CO 2 fractional laser combined with 5-FU encapsulated ethosomes in rabbit ear hypertrophic scar model will be evaluated. The permeated amount of 5-FU and retention contents of 5-FU were both determined by high-performance liquid chromatography (HPLC). Fluorescence intensities of ethosomes encapsulated with 5-FU (5E) labeled with Rodanmin 6GO (Rho) were measured by confocal laser scanning microscopy (CLSM). The permeability promotion of 5E labeled with Rho in rabbit ear hypertrophic scar mediated by CO 2 fractional laser was evaluated at 0 h, 6 h, 12 h, 24 h, 3 days and 7 days after the irradiation. The opening rates of the micro-channels were calculated according to CLSM. The therapeutic effect of 5EL was evaluated on rabbit ear hypertrophic scar in vivo. Relative thickness of rabbit ear hypertrophic scar before and after the treatment was measured by caliper method. Scar elevation index (SEI) of rabbit ear hypertrophic scar was measured using H&E staining. The data showed that the penetration amount of 5EL group was higher than 5E group (4.15 ± 2.22 vs. 0.73 ± 0.33; p 5E group (107.61 ± 13.27 vs. 20.73 ± 3.77; p 5E group (24.42 ± 4.37 vs.12.25 ± 1.64; p 5E group at different time points (1, 6, and 24 h). The opening rates of the micro-channels were decreased gradually within 24 h, and micro-channels were closed completely 3 days after the irradiation by CO 2 fractional laser. The relative thickness and SEI of rabbit ear hypertrophic scar after 7 days of treatment in the 5EL group were significantly lower than the 5E group. CO 2 fractional laser combined with topical 5E can be effective in the treatment of hypertrophic scar in vivo and supply a novel therapy method for human hypertrophic scar.

  3. Water interactions with condensed organic phases: a combined experimental and theoretical study of molecular-level processes

    Science.gov (United States)

    Johansson, Sofia M.; Kong, Xiangrui; Thomson, Erik S.; Papagiannakopoulos, Panos; Pettersson, Jan B. C.; Lovrić, Josip; Toubin, Céline

    2016-04-01

    Water uptake on aerosol particles modifies their chemistry and microphysics with important implications for air quality and climate. A large fraction of the atmospheric aerosol consists of organic aerosol particles or inorganic particles with condensed organic components. Here, we combine laboratory studies using the environmental molecular beam (EMB) method1 with molecular dynamics (MD) simulations to characterize water interactions with organic surfaces in detail. The over-arching aim is to characterize the mechanisms that govern water uptake, in order to guide the development of physics-based models to be used in atmospheric modelling. The EMB method enables molecular level studies of interactions between gases and volatile surfaces at near ambient pressure,1 and the technique may provide information about collision dynamics, surface and bulk accommodation, desorption and diffusion kinetics. Molecular dynamics simulations provide complementary information about the collision dynamics and initial interactions between gas molecules and the condensed phase. Here, we focus on water interactions with condensed alcohol phases that serve as highly simplified proxies for systems in the environment. Gas-surface collisions are in general found to be highly inelastic and result in efficient surface accommodation of water molecules. As a consequence, surface accommodation of water can be safely assumed to be close to unity under typical ambient conditions. Bulk accommodation is inefficient on solid alcohol and the condensed materials appear to produce hydrophobic surface structures, with limited opportunities for adsorbed water to form hydrogen bonds with surface molecules. Accommodation is significantly more efficient on the dynamic liquid alcohol surfaces. The results for n-butanol (BuOH) are particularly intriguing where substantial changes in water accommodation taking place over a 10 K interval below and above the BuOH melting point.2 The governing mechanisms for the

  4. Analysis of the dynamic behavior of structures using the high-rate GNSS-PPP method combined with a wavelet-neural model: Numerical simulation and experimental tests

    Science.gov (United States)

    Kaloop, Mosbeh R.; Yigit, Cemal O.; Hu, Jong W.

    2018-03-01

    Recently, the high rate global navigation satellite system-precise point positioning (GNSS-PPP) technique has been used to detect the dynamic behavior of structures. This study aimed to increase the accuracy of the extraction oscillation properties of structural movements based on the high-rate (10 Hz) GNSS-PPP monitoring technique. A developmental model based on the combination of wavelet package transformation (WPT) de-noising and neural network prediction (NN) was proposed to improve the dynamic behavior of structures for GNSS-PPP method. A complicated numerical simulation involving highly noisy data and 13 experimental cases with different loads were utilized to confirm the efficiency of the proposed model design and the monitoring technique in detecting the dynamic behavior of structures. The results revealed that, when combined with the proposed model, GNSS-PPP method can be used to accurately detect the dynamic behavior of engineering structures as an alternative to relative GNSS method.

  5. COMBINED THEORETICAL AND EXPERIMENTAL INVESTIGATION OF MECHANISMS AND KINETICS OF VAPOR-PHASE MERCURY UPTAKE BY CARBONACEOUS SURFACES; ANNUAL

    International Nuclear Information System (INIS)

    Radisav D. Vidic; Eric V. Borguet; Karl J. Johnson

    2000-01-01

    The overall goal of this research program is to gain fundamental understanding of the important chemistry and physics involved in mercury adsorption on carbonaceous surfaces. This knowledge will then be used to optimize adsorption processes and operating conditions to maximize the uptake of mercury within the required contact time. An additional long-term benefit of this research is the basic understanding of the Hg adsorption process, which may facilitate the design of new adsorbents for more efficient and cost-effective removal of Hg from a variety of effluent streams. Molecular modeling of the adsorption of Hg on carbonaceous surfaces will greatly increase the insight into the physics of the adsorption process and combined with in situ rate measurements of mercury adsorption and desorption (conventional and pulsed laser) on graphite using linear and nonlinear optical probes with real time optical resolution have the potential to provide fundamental insight into the process of mercury uptake by carbonaceous surfaces. Besides accurate assessment of key parameters influencing adsorption equilibrium, fundamental understanding of the kinetics of mercury adsorption, desorption, and diffusion will be developed in this study. These key physical and chemical processes postulated through molecular modeling efforts and verified by in situ measurements will be utilized to select (or develop) promising sorbents for mercury control, which will be tested under dynamic conditions using simulated flue gas

  6. [Experimental assessment of combined effect of nitrates and acute gamma-irradiation on green algae Scenedesmus quadricauda growth].

    Science.gov (United States)

    Triapitsyna, G A; Tarasova, S P; Atamaniuk, N I; Osipov, D I; Priakhin, E A

    2012-01-01

    The combined effect of acute gamma-irradiation at doses of 0, 50, 100, 150 and 200 Gy and nitrates in concentrations of 0.04 g/dm3 (that corresponds to maximum permissible concentrations for fishery waters), 0.1, 0.25, 0.5, 1.0, 2.5 g/dm3 (that is close to NO3(-) level in water of a reservoir R-17 used as radioactive waste storage of the "Mayak" Production Association) and 5.0 g/dm3 (that is close to NO3(-) level in the water of radioactive waste storage reservoir R-9) on the unicellular green algae Scenedesmus quadricauda growth has been studied in laboratory conditions. It was shown that the joint effects of nitrates and y-radiation had an antagonistic character. Thus, it may be concluded that chemical pollution is the factor limiting the development of green algae in reservoir R-17; probably, both factors, chemical and radiating, are essential to the algocenosis degradation in reservoir R-9.

  7. Experimental studies on the enhanced performance of lightweight oil recovery using a combined electrocoagulation and magnetic field processes.

    Science.gov (United States)

    Liu, Yang; Yang, Jie; Jiang, Wenming; Chen, Yimei; Yang, Chaojiang; Wang, Tianyu; Li, Yuxing

    2018-08-01

    On marine oil spill, inflammable lightweight oil has characteristics of explosion risk and contamination of marine enviroment, therefore treatment of stable emulsion with micron oil droplets is urgent. This study aimed to propose a combined electrocoagulation and magnetic field processes to enhance performance of lightweight oil recovery with lower energy consumption. The effects of current density, electrolysis time, strength and direction of magnetic field on the overall treatment efficiency of the reactor were explored. Furthermore, the comparison between coupling device and only electrocoagulation through tracking oil removal in nine regions between the electrodes. The results were shown that the permanent magnets applied was found to enhance demulsification process within electrocoagulation reactor. For a given current density of 60 A m -2 at 16 min, Lorentz force downward was proved to promote the sedimentation of coagulants. As the magnetic field strength increases from 20 to 60 mT, oil removal efficiency was observed to increase and then decrease, and simultaneously energy consumption reduced and then present constantly. The results were found that the magnetic field strength of 40 mT was optimal within electrocoagulation reactor, which can not only diminishe difference of mass transfer rate along the height of vertical plate but also consume lowest energy. Copyright © 2018 Elsevier Ltd. All rights reserved.

  8. Similarity or difference?

    DEFF Research Database (Denmark)

    Villadsen, Anders Ryom

    2013-01-01

    While the organizational structures and strategies of public organizations have attracted substantial research attention among public management scholars, little research has explored how these organizational core dimensions are interconnected and influenced by pressures for similarity....... In this paper I address this topic by exploring the relation between expenditure strategy isomorphism and structure isomorphism in Danish municipalities. Different literatures suggest that organizations exist in concurrent pressures for being similar to and different from other organizations in their field......-shaped relation exists between expenditure strategy isomorphism and structure isomorphism in a longitudinal quantitative study of Danish municipalities....

  9. A combined experimental and numerical approach for the control and monitoring of the SPES target during operation at high temperature

    Energy Technology Data Exchange (ETDEWEB)

    Ballan, Michele [National Institute of Nuclear Physics – Legnaro National Laboratories (INFN-LNL), Viale dell’Università 2, Legnaro, 35020 Padova (Italy); Department of Physics and Earth Sciences, University of Ferrara, via Saragat 1, 44122 Ferrara (Italy); Manzolaro, Mattia [National Institute of Nuclear Physics – Legnaro National Laboratories (INFN-LNL), Viale dell’Università 2, Legnaro, 35020 Padova (Italy); Department of Industrial Engineering (DII), University of Padova, via Venezia 1, 35131 Padova (Italy); Meneghetti, Giovanni [Department of Industrial Engineering (DII), University of Padova, via Venezia 1, 35131 Padova (Italy); Andrighetto, Alberto [National Institute of Nuclear Physics – Legnaro National Laboratories (INFN-LNL), Viale dell’Università 2, Legnaro, 35020 Padova (Italy); Monetti, Alberto [National Institute of Nuclear Physics – Legnaro National Laboratories (INFN-LNL), Viale dell’Università 2, Legnaro, 35020 Padova (Italy); Department of Industrial Engineering (DII), University of Padova, via Venezia 1, 35131 Padova (Italy); Bisoffi, Giovanni; Prete, Gianfranco [National Institute of Nuclear Physics – Legnaro National Laboratories (INFN-LNL), Viale dell’Università 2, Legnaro, 35020 Padova (Italy)

    2016-06-01

    The SPES project at INFN-LNL aims at the production of neutron-rich Radioactive Ion Beams (RIBs) using the ISOL (Isotope Separation On Line) technique. A 40 MeV 200 μA proton beam will directly impinge a uranium carbide target, generating approximately 10{sup 13} fissions per second. The target system is installed under vacuum inside a water-cooled chamber, and have to maintain high working temperatures, close to 2000 °C. During operation the proton beam provides the heating power required to keep the target at the desired temperature level. As a consequence, its characteristics have to be strictly controlled in order to avoid undesired overheating. According to the original design of the control system, the proton beam can be suddenly interrupted in case of out of range vacuum or cooling water flow levels. With the aim to improve the reliability of the control system a set of temperature sensors has been installed close to the target. Their types and installation positions were defined taking into consideration the detailed information coming from a dedicated thermal–electric model that allowed to investigate the most critical and inaccessible target hot-spots. This work is focused on the definition and experimental validation of the aforementioned numerical model. Its results were used to appropriately install two type C thermocouples, a PT100 thermo-resistance and a residual primary beam current detector. In addition the numerical model will be used for the definition of appropriate thresholds for each installed temperature sensor, since it allows to define a relationship between the locally measured values with the overall calculated temperature field. In case of over temperatures the monitoring system will send warning signals or in case interrupt the proton beam.

  10. A combined experimental and numerical approach for the control and monitoring of the SPES target during operation at high temperature

    Science.gov (United States)

    Ballan, Michele; Manzolaro, Mattia; Meneghetti, Giovanni; Andrighetto, Alberto; Monetti, Alberto; Bisoffi, Giovanni; Prete, Gianfranco

    2016-06-01

    The SPES project at INFN-LNL aims at the production of neutron-rich Radioactive Ion Beams (RIBs) using the ISOL (Isotope Separation On Line) technique. A 40 MeV 200 μA proton beam will directly impinge a uranium carbide target, generating approximately 1013 fissions per second. The target system is installed under vacuum inside a water-cooled chamber, and have to maintain high working temperatures, close to 2000 °C. During operation the proton beam provides the heating power required to keep the target at the desired temperature level. As a consequence, its characteristics have to be strictly controlled in order to avoid undesired overheating. According to the original design of the control system, the proton beam can be suddenly interrupted in case of out of range vacuum or cooling water flow levels. With the aim to improve the reliability of the control system a set of temperature sensors has been installed close to the target. Their types and installation positions were defined taking into consideration the detailed information coming from a dedicated thermal-electric model that allowed to investigate the most critical and inaccessible target hot-spots. This work is focused on the definition and experimental validation of the aforementioned numerical model. Its results were used to appropriately install two type C thermocouples, a PT100 thermo-resistance and a residual primary beam current detector. In addition the numerical model will be used for the definition of appropriate thresholds for each installed temperature sensor, since it allows to define a relationship between the locally measured values with the overall calculated temperature field. In case of over temperatures the monitoring system will send warning signals or in case interrupt the proton beam.

  11. Interaction of Formaldehyde with the Rutile TiO 2 (110) Surface: A Combined Experimental and Theoretical Study

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Xiaojuan; Zhang, Zhenrong; Yang, Chengwu; Bebensee, Fabian; Heibler, Stefan; Nefedov, Alexei; Tang, Miru; Ge, Qingfeng; Chen, Long; Kay, Bruce D.; Dohnalek, Zdenek; Wang, Yuemin; Woll, Christof

    2016-06-16

    The adsorption and reaction of formaldehyde (CH2O) on the oxidized rutile TiO2(110) surface were studied by temperature programmed desorption (TPD), scanning tunneling microscopy (STM), infrared reflection-absorption spectroscopy (IRRAS) and density functional theory (DFT) calculations. The experimental and theoretical data reveal the presence of various species depending on the temperature and coverage. After formaldehyde adsorption on TiO2(110) at 65 K, the multilayer CH2O was detected, which desorbs completely upon heating to 120 K. The isolated CH2O monomer was identified after submonolayer adsorption at low temperatures (45-65 K), in which CH2O is bound to the surface Ti5c sites via σ-donation and adopts a tilted geometry. With heating to higher temperatures the CH2O monomers remain stable up to 70 K and then undergo coupling reactions to form paraformaldehyde (polyoxymethylene, POM) at the Ti5c rows. The POM chain is oriented primarily along the [001] direction in a slightly disordered configuration. POM becomes the predominant species at 120 K and is decomposed releasing CH2O at about 250 K. In addition, dioxymethylene (DOM) was detected as minority species formed via reaction of Ti5c-bound CH2O with both neighboring O2c along the [1-10] direction and oxygen adatoms (Oad) at Ti5c sites along [001] on the oxidized TiO2(110) surface.

  12. Is the bipyridyl thorium metallocene a low-valent thorium complex? A combined experimental and computational study

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Wenshan; Lukens, Wayne W.; Zi, Guofu; Maron, Laurent; Walter, Marc D.

    2012-01-12

    Bipyridyl thorium metallocenes [5-1,2,4-(Me3C)3C5H2]2Th(bipy) (1) and [5-1,3-(Me3C)2C5H3]2Th(bipy) (2) have been investigated by magnetic susceptibility and computational studies. The magnetic susceptibility data reveal that 1 and 2 are not diamagnetic, but they behave as temperature independent paramagnets (TIPs). To rationalize this observation, density functional theory (DFT) and complete active space SCF (CASSCF) calculations have been undertaken, which indicated that Cp2Th(bipy) has indeed a Th(IV)(bipy2-) ground state (f0d0 2, S = 0), but the open-shell singlet (f0d1 1, S = 0) (almost degenerate with its triplet congener) is lying only 9.2 kcal/mol higher in energy. Complexes 1 and 2 react cleanly with Ph2CS to give [ 5-1,2,4-(Me3C)3C5H2]2Th[(bipy)(SCPh2)] (3) and [ 5-1,3-(Me3C)2C5H3]2Th[(bipy)(SCPh2)] (4), respectively, in quantitative conversions. Since no intermediates were observed experimentally, this reaction was also studied computationally. Coordination of Ph2CS to 2 in its S = 0 ground state is not possible, but Ph2CS can coordinate to 2 in its triplet state (S = 1) upon which a single electron transfer (SET) from the (bipy2-) fragment to Ph2CS followed by C-C coupling takes place.

  13. Combination therapy of chitosan, gynostemma, and motherwort alleviates the progression of experimental rat chronic renal failure by inhibiting STAT1 activation

    Science.gov (United States)

    Bai, Wenxia; Wang, Shudong; An, Shanshan; Guo, Mengjie; Gong, Guangming; Liu, Wenya; Ma, Shaoxin; Li, Xin; Fu, Jihua; Yao, Wenbing

    2018-01-01

    This study aimed to investigate the effect of single and combination therapy using chitosan (K), gynostemma (J), and motherwort (Y) on an experimental rat model of chronic renal failure (CRF) induced by adenine and the underlying mechanisms. CRF rats were treated with individual or combinational therapy with two or three of these agents. Biochemical indicators showed that the levels of blood urea nitrogen, creatinine and uric acid decreased and the levels of albumin and hemoglobin increased by single or combination therapy of these drugs. Drug treatment also decreased oxidative stress damage of renal tissues in CRF rats. Histopathological lesions were attenuated in each drug treatment group by various degrees. Additionally, drug treatment affected the expression of extracellular matrix (ECM) proteins including plasminogen activator inhibitor 1, collagen I, matrix metalloprotease-1, and tissue inhibitor of metalloproteinases 1. In particular, the combination therapy of K, J, and Y was superior to the respective monotherapy, which supported the prescription of KJY combination. We further studied the inhibitory effect of KJY on LPS-induced inflammation in RAW264.7 macrophages. The results showed that KJY inhibited LPS-induced secretion of inflammatory cytokines (Interferon-gamma, Interleukin-1 Beta, chemokine (C-X-C motif) ligand 10, cyclooxygenase-2 and Tumor necrosis factor-α in RAW264.7 macrophages. Combination therapy of KJY suppressed the protein expression of Cyclooxygenase-2 and inducible nitric oxide synthase in vivo and in vitro. Further study indicated that KJY inhibited STAT1 activation by down regulating p-STAT1 to exert anti-inflammatory effect and improve renal function in rats with chronic renal failure. PMID:29643988

  14. Therapeutic and Safety Evaluation of Combined Aqueous Extracts of Azadirachta indica and Khaya senegalensis in Chickens Experimentally Infected with Eimeria Oocysts

    Directory of Open Access Journals (Sweden)

    J. G. Gotep

    2016-01-01

    Full Text Available Coccidiosis is a disease of economic importance in poultry causing morbidity and mortality. Reports show that Azadirachta indica and Khaya senegalensis have been used individually in the treatment of avian coccidiosis. We thus investigated the efficacy and safety of the combined aqueous extracts of these plants for the treatment of experimentally induced coccidiosis in broiler chickens using oocyst count, oxidative stress biomarkers, serum biochemistry, histology, and haematological parameters. The phytochemical screening revealed the presence of tannins, saponins, cardiac glycosides, and steroids in both extracts. In addition, alkaloids and flavonoids were present in Azadirachta indica. There was significant (p<0.05 dose dependent decrease in oocyst count across the treatment groups with 400 mg/kg of the combined extract being the most efficacious dose. Immunomodulatory and erythropoietic activity was observed. There were decreased intestinal lesions and enhanced antioxidant activity across the treatment groups compared to the negative control. Administration of the combined extract did not cause damage to the liver as ALT, AST, and ALP levels were significantly reduced in the uninfected chickens treated with the extracts compared to control suggesting safety at the doses used. The combined aqueous extracts of K. senegalensis stem bark and Azadirachta indica leaves were ameliorative in chickens infected with coccidiosis.

  15. Behavioral effects of the combined use of alcohol and energy drinks on alcohol hangover in an experimental mice model.

    Science.gov (United States)

    Asorey, Lucas G; Carbone, Silvia; Gonzalez, Bárbara J; Cutrera, Rodolfo A

    2018-03-23

    In last few years it has been a significant increase in the consumption of alcohol combined with energy drink. The aim of this work was to study the effect of this mixture in motor and affective behaviors during an alcohol hangover episode. Male Swiss mice received one of the following treatments: saline + sucrose; saline + energy drink; ethanol + sucrose; ethanol + energy drink. Ethanol dose was 3.8 g/kg BW (i.p.) and energy drink dose was 18 ml/kg BW (gavage) at ZT1 (8 am) (ZT: Zeitgeber time; ZT0: 7 am; lights on). The behavioral tests used were tight rope test to determine motor coordination; hanging wire test to study muscular strength; elevated plus maze and open field tests to evaluate anxiety like-behavior and locomotor activity. Tests were carried out at basal point that matched with lights onset and every 6 h up to 18 h after treatments. Hangover onset was established at ZT7 when blood alcohol concentration (BAC) was almost zero. Our results showed that the mixture of alcohol and energy drink altered significantly motor skills. Specifically, a significant decrease was observed in the performance of the animals in the tightrope and hanging wire tests in groups treated with the mixture of alcohol and energy drink. A significant impairment in the anxiety-like behavior was observed mainly at the beginning of alcohol hangover. These findings suggest that energy drink added to alcohol extends motor disabilities observed during an alcohol hangover episode in comparison with animals that received alcohol alone. Copyright © 2018 Elsevier B.V. All rights reserved.

  16. [Experimental study of tissue engineered cartilage construction using oriented scaffold combined with bone marrow mesenchymal stem cells in vivo].

    Science.gov (United States)

    Duan, Wei; Da, Hu; Wang, Wentao; Lü, Shangjun; Xiong, Zhuo; Liu, Jian

    2013-05-01

    To investigate the feasibility of fabricating an oriented scaffold combined with chondrogenic-induced bone marrow mesenchymal stem cells (BMSCs) for enhancement of the biomechanical property of tissue engineered cartilage in vivo. Temperature gradient-guided thermal-induced phase separation was used to fabricate an oriented cartilage extracellular matrix-derived scaffold composed of microtubules arranged in parallel in vertical section. No-oriented scaffold was fabricated by simple freeze-drying. Mechanical property of oriented and non-oriented scaffold was determined by measurement of compressive modulus. Oriented and non-oriented scaffolds were seeded with chondrogenic-induced BMSCs, which were obtained from the New Zealand white rabbits. Proliferation, morphological characteristics, and the distribution of the cells on the scaffolds were analyzed by MTT assay and scanning electron microscope. Then cell-scaffold composites were implanted subcutaneously in the dorsa of nude mice. At 2 and 4 weeks after implantation, the samples were harvested for evaluating biochemical, histological, and biomechanical properties. The compressive modulus of oriented scaffold was significantly higher than that of non-oriented scaffold (t=201.099, P=0.000). The cell proliferation on the oriented scaffold was significantly higher than that on the non-oriented scaffold from 3 to 9 days (P fibers with chondrocyte-like cells on the oriented-structure constructs. Total DNA, glycosaminoglycan (GAG), and collagen contents increased with time, and no significant difference was found between 2 groups (P > 0.05). The compressive modulus of the oriented tissue engineered cartilage was significantly higher than that of the non-oriented tissue engineered cartilage at 2 and 4 weeks after implantation (P < 0.05). Total DNA, GAG, collagen contents, and compressive modulus in the 2 tissue engineered cartilages were significantly lower than those in normal cartilage (P < 0.05). Oriented extracellular

  17. Comparing Harmonic Similarity Measures

    NARCIS (Netherlands)

    de Haas, W.B.; Robine, M.; Hanna, P.; Veltkamp, R.C.; Wiering, F.

    2010-01-01

    We present an overview of the most recent developments in polyphonic music retrieval and an experiment in which we compare two harmonic similarity measures. In contrast to earlier work, in this paper we specifically focus on the symbolic chord description as the primary musical representation and

  18. Charge Transport in 4 nm Molecular Wires with Interrupted Conjugation: Combined Experimental and Computational Evidence for Thermally Assisted Polaron Tunneling.

    Science.gov (United States)

    Taherinia, Davood; Smith, Christopher E; Ghosh, Soumen; Odoh, Samuel O; Balhorn, Luke; Gagliardi, Laura; Cramer, Christopher J; Frisbie, C Daniel

    2016-04-26

    We report the synthesis, transport measurements, and electronic structure of conjugation-broken oligophenyleneimine (CB-OPI 6) molecular wires with lengths of ∼4 nm. The wires were grown from Au surfaces using stepwise aryl imine condensation reactions between 1,4-diaminobenzene and terephthalaldehyde (1,4-benzenedicarbaldehyde). Saturated spacers (conjugation breakers) were introduced into the molecular backbone by replacing the aromatic diamine with trans-1,4-diaminocyclohexane at specific steps during the growth processes. FT-IR and ellipsometry were used to follow the imination reactions on Au surfaces. Surface coverages (∼4 molecules/nm(2)) and electronic structures of the wires were determined by cyclic voltammetry and UV-vis spectroscopy, respectively. The current-voltage (I-V) characteristics of the wires were acquired using conducting probe atomic force microscopy (CP-AFM) in which an Au-coated AFM probe was brought into contact with the wires to form metal-molecule-metal junctions with contact areas of ∼50 nm(2). The low bias resistance increased with the number of saturated spacers, but was not sensitive to the position of the spacer within the wire. Temperature dependent measurements of resistance were consistent with a localized charge (polaron) hopping mechanism in all of the wires. Activation energies were in the range of 0.18-0.26 eV (4.2-6.0 kcal/mol) with the highest belonging to the fully conjugated OPI 6 wire and the lowest to the CB3,5-OPI 6 wire (the wire with two saturated spacers). For the two other wires with a single conjugation breaker, CB3-OPI 6 and CB5-OPI 6, activation energies of 0.20 eV (4.6 kcal/mol) and 0.21 eV (4.8 kcal/mol) were found, respectively. Computational studies using density functional theory confirmed the polaronic nature of charge carriers but predicted that the semiclassical activation energy of hopping should be higher for CB-OPI molecular wires than for the OPI 6 wire. To reconcile the experimental and

  19. Optimization of the combustion system of a medium duty direct injection diesel engine by combining CFD modeling with experimental validation

    International Nuclear Information System (INIS)

    Benajes, Jesus; Novella, Ricardo; Pastor, Jose Manuel; Hernández-López, Alberto; Hasegawa, Manabu; Tsuji, Naohide; Emi, Masahiko; Uehara, Isshoh; Martorell, Jordi; Alonso, Marcos

    2016-01-01

    Highlights: • A DOE-based optimization of the combustion system of a CI engine has been performed. • Improving efficiency controlling emissions needs optimizing bowl design and settings. • Swirl-supported with re-entrant bowl combustion system is required after optimizing. • Computationally optimized combustion system has been validated by engine tests. - Abstract: The research in the field of internal combustion engines is currently driven by the needs of decreasing fuel consumption and CO_2 emissions, while fulfilling the increasingly stringent pollutant emissions regulations. In this framework, this research work focuses on describing a methodology for optimizing the combustion system of Compression Ignition (CI) engines, by combining Computational Fluid Dynamics (CFD) modeling, and the statistical Design of Experiments (DOE) technique known as Response Surface Method (RSM). As a key aspect, in addition to the definition of the optimum set of values for the input parameters, this methodology is extremely useful to gain knowledge on the cause/effect relationships between the input and output parameters under investigation. This methodology is applied in two sequential studies to the optimization of the combustion system of a 4-cylinder 4-stroke Medium Duty Direct Injection (DI) CI engine, minimizing the fuel consumption while fulfilling the emission limits in terms of NO_x and soot. The first study targeted four optimization parameters related to the engine hardware including piston bowl geometry, injector nozzle configuration and mean swirl number (MSN) induced by the intake manifold design. After the analysis of the results, the second study extended to six parameters, limiting the optimization of the engine hardware to the bowl geometry, but including the key air management and injection settings. For both studies, the simulation plans were defined following a Central Composite Design (CCD), providing 25 and 77 simulations respectively. The results

  20. Flow velocity-driven differentiation of human mesenchymal stromal cells in silk fibroin scaffolds: A combined experimental and computational approach.

    Directory of Open Access Journals (Sweden)

    Jolanda Rita Vetsch

    Full Text Available Mechanical loading plays a major role in bone remodeling and fracture healing. Mimicking the concept of mechanical loading of bone has been widely studied in bone tissue engineering by perfusion cultures. Nevertheless, there is still debate regarding the in-vitro mechanical stimulation regime. This study aims at investigating the effect of two different flow rates (vlow = 0.001m/s and vhigh = 0.061m/s on the growth of mineralized tissue produced by human mesenchymal stromal cells cultured on 3-D silk fibroin scaffolds. The flow rates applied were chosen to mimic the mechanical environment during early fracture healing or during bone remodeling, respectively. Scaffolds cultured under static conditions served as a control. Time-lapsed micro-computed tomography showed that mineralized extracellular matrix formation was completely inhibited at vlow compared to vhigh and the static group. Biochemical assays and histology confirmed these results and showed enhanced osteogenic differentiation at vhigh whereas the amount of DNA was increased at vlow. The biological response at vlow might correspond to the early stage of fracture healing, where cell proliferation and matrix production is prominent. Visual mapping of shear stresses, simulated by computational fluid dynamics, to 3-D micro-computed tomography data revealed that shear stresses up to 0.39mPa induced a higher DNA amount and shear stresses between 0.55mPa and 24mPa induced osteogenic differentiation. This study demonstrates the feasibility to drive cell behavior of human mesenchymal stromal cells by the flow velocity applied in agreement with mechanical loading mimicking early fracture healing (vlow or bone remodeling (vhigh. These results can be used in the future to tightly control the behavior of human mesenchymal stromal cells towards proliferation or differentiation. Additionally, the combination of experiment and simulation presented is a strong tool to link biological responses to

  1. Experimental essay and numerical modelling in a reduced model with physical similarity to a pipeline with zig-zag geometry in Guanabara Bay (PE-3); Ensaio experimental e modelagem numerica em modelo reduzido com semelhanca fisica do duto com geometria zig-zag da Baia de Guanabara (PE-3)

    Energy Technology Data Exchange (ETDEWEB)

    Poiate, Junior, Edgard; Costa, Alvaro M. da; Amaral, Claudio S; Rocha, Renato S [PETROBRAS, Rio de Janeiro, RJ (Brazil). Centro de Pesquisas (CENPES); Guimaraes, Giuseppe B; Souza, Pablo F [Pontificia Univ. Catolica do Rio de Janeiro, RJ (Brazil)

    2003-07-01

    In January 2000 PETROBRAS faced a leakage of heavy heated MF380 oil from a 16'' pipeline in Guanabara Bay. The thermal structural buckling of the pipeline, interacting with the soil, induced the rupture of the pipeline wall, causing the leakage of oil. In order to overcome this undesired phenomenon PETROBRAS studied several alternatives of a new pipeline. As a result of these studies a pipeline with 'ZIGZAG' geometry was adopted, named PE-3. Due to the very few applications of this kind of concept by the oil industry and in different soil conditions compared to the existing one in Guanabara Bay, a very sophisticated procedure including the simulation of the thermal mechanical interactions between the soil and the pipeline structure was developed. Computer modeling was carried out using the finite element method considering the soil and pipeline non-linear material behavior and finite displacements. In order to validate the numerical modelling was build an experimental test in a reduced model with physics similarity of a pipeline with ZIG-ZAG geometry (PE-3). The numerical and experimental results are comparing and have a good agreement. (author)

  2. A combined experimental and finite element approach to analyse the fretting mechanism of the head-stem taper junction in total hip replacement.

    Science.gov (United States)

    Bitter, Thom; Khan, Imran; Marriott, Tim; Lovelady, Elaine; Verdonschot, Nico; Janssen, Dennis

    2017-09-01

    Fretting corrosion at the taper interface of modular hip implants has been implicated as a possible cause of implant failure. This study was set up to gain more insight in the taper mechanics that lead to fretting corrosion. The objectives of this study therefore were (1) to select experimental loading conditions to reproduce clinically relevant fretting corrosion features observed in retrieved components, (2) to develop a finite element model consistent with the fretting experiments and (3) to apply more complicated loading conditions of activities of daily living to the finite element model to study the taper mechanics. The experiments showed similar wear patterns on the taper surface as observed in retrievals. The finite element wear score based on Archard's law did not correlate well with the amount of material loss measured in the experiments. However, similar patterns were observed between the simulated micromotions and the experimental wear measurements. Although the finite element model could not be validated, the loading conditions based on activities of daily living demonstrate the importance of assembly load on the wear potential. These findings suggest that finite element models that do not incorporate geometry updates to account for wear loss may not be appropriate to predict wear volumes of taper connections.

  3. Similarity flows in relativistic hydrodynamics

    International Nuclear Information System (INIS)

    Blaizot, J.P.; Ollitrault, J.Y.

    1986-01-01

    In ultra-relativistic heavy ion collisions, one expects in particular to observe a deconfinement transition leading to a formation of quark gluon plasma. In the framework of the hydrodynamic model, experimental signatures of such a plasma may be looked for as observable consequences of a first order transition on the evolution of the system. In most of the possible scenario, the phase transition is accompanied with discontinuities in the hydrodynamic flow, such as shock waves. The method presented in this paper has been developed to treat without too much numerical effort such discontinuous flow. It relies heavily on the use of similarity solutions of the hydrodynamic equations

  4. Rapid breakthrough of pesticides via biopres into tile drains and shallow groundwater: a combined experimental and model study

    Science.gov (United States)

    Klaus, J.; Zehe, E.; Palm, J.; Schroeder, B.

    2009-04-01

    Preferential flow in macropores is a key process which strongly affects infiltration and may cause rapid transport of pesticides into depths of 80 to 150 cm. At these depths they experience a much slower degradation, may leach into shallow groundwater or enter a tile-drain and are transported in surface water bodies. Therefore, preferential transport is an environ¬mental problem because the topsoil is bypassed, which has been originally thought to act as a filter to protect the subsoil and shallow groundwater. To get a better insight in the process of pesticide transport in agricultural soils an irrigation experiment was performed on a 400 m² field site. The experimental plot is located in the Weiherbach valley, south-west Germany, which basic geology consists of Loess and Keuper layers, the soil at the test site is a gleyic Colluvisol. The distance of the irrigation site to the Weiherbach brook is aprox. 12 m, the field is drained with a tile-drain in about 1.2 m depth and the shows runoff over the entire year. Three hours before the irrigation started the farmer applied a pesticide solution consisting of Isoproturon and Flufenacet according to conventional agricultural practice. The irrigation took place in three time blocks (80 min, 60 min, 80 min) and had a total irrigation rate of 33.6 mm measured with ten precipitation samplers. During the first block a tracer solution of 1600 g Bromide and 2000 g Brilliant Blue was irrigated on the test site. The drainage outlet was instrumented with a pressure probe to measure the water level. About 50 water samples were taken on the day of the experiment from the drainage outlet by hand, and in an eight hour interval for six days with an automatic sample procedure. Discharge at the drainage outlet showed two peaks in response irrigation. The breakthrough of the tracer into the brook is much faster then the reaction of the discharge on the precipitation impulse. To gain insight in the vertical transport behaviour three

  5. Combined static-dynamic MR urography for the simultaneous evaluation of morphology and function in urinary tract obstruction. II. Findings in experimentally induced ureteric stenosis

    International Nuclear Information System (INIS)

    Rohrschneider, W.K.; Becker, K.; Hoffend, J.; Clorius, J.H.; Darge, K.; Kooijman, H.; Troeger, J.

    2000-01-01

    Purpose. To assess the diagnostic value of combined static-dynamic MR urography (MRU) for the functional-morphological evaluation of experimentally induced urinary tract obstruction in the piglet. Materials and methods. In 20 piglets unilateral ureteric stenosis was created operatively. Post-surgery repeated comparative examinations were obtained with MRU, diuretic renal scintigraphy (DRS), excretory urography (EU) and ultrasound (US). MRU was performed as a combination study with a static 3D-IR-TSE sequence and a dynamic 2D-FFE sequence after Gd-DTPA with frusemide administration. Results. MRU allowed complete depiction of the prestenotic urinary tract and of the stenosis in all cases. In 43 comparative studies MRU was superior to EU in 36, EU to MRU in 2. When single kidney function was calculated with both MRU and DRS, results were highly correlated (r = 0.92). When urinary excretion was compared, significant agreement was achieved with concordant findings in 86 % and slightly discordant results in 12 %. Conclusions. Static-dynamic MR urography permits excellent depiction of experimentally induced urinary tract obstruction in piglets and reliable assessment of individual renal function and urinary excretion. Two advantages of the method stand out - it does not require radiation and it permits functional-morphological correlation. (orig.)

  6. Experimental investigation of a building integrated photovoltaic/thermal roof collector combined with a liquid desiccant enhanced indirect evaporative cooling system

    International Nuclear Information System (INIS)

    Buker, Mahmut Sami; Mempouo, Blaise; Riffat, Saffa B.

    2015-01-01

    Highlights: • Novel solar thermal collector for liquid desiccant air conditioning was introduced. • Low cost poly heat exchanger loop underneath the photovoltaic modules was proposed. • The ability of the combined system was experimentally investigated. • Water temperature in the loop could reach up to 35.5 °C during the tests. • This tri-gen system can supply 3 kW heating, 5.2 kW cooling and 10.3 MW h/year power. - Abstract: Large consumption of limited conventional fossil fuel resources, economic and environmental problems associated with the global warming and climate change have emphasized the immediate need to transition to renewable energy resources. Solar thermal applications along with renewable energy based cooling practices have attracted considerable interest towards sustainable solutions promising various technical, economic and environmental benefits. This study introduces a new concept on solar thermal energy driven liquid desiccant based dew point cooling system that integrates several green technologies; including photovoltaic modules, polyethylene heat exchanger loop and a combined liquid desiccant dehumidification-indirect evaporative air conditioning unit. A pilot scale experimental set-up was developed and tested to investigate the performance of the proposed system and influence of the various parameters such as weather condition, air flow and regeneration temperature. A cost effective, easy-to-make polyethylene heat exchanger loop was employed underneath PV panels for heat generation. In addition, a liquid desiccant enhanced dew point cooling unit was utilized to provide air conditioning through dehumidification of humid air and indirect evaporative cooling. The experimental results show that the proposed tri-generation system is capable of providing about 3 kW of heating, 5.2 kW of cooling power and 10.3 MW h/year power generation, respectively. The findings confirm the potential of the examined technology, and elucidate the

  7. Condensational Growth of Combination Drug-Excipient Submicrometer Particles for Targeted High Efficiency Pulmonary Delivery: Comparison of CFD Predictions with Experimental Results

    Science.gov (United States)

    Hindle, Michael

    2011-01-01

    Purpose The objective of this study was to investigate the hygroscopic growth of combination drug and excipient submicrometer aerosols for respiratory drug delivery using in vitro experiments and a newly developed computational fluid dynamics (CFD) model. Methods Submicrometer combination drug and excipient particles were generated experimentally using both the capillary aerosol generator and the Respimat inhaler. Aerosol hygroscopic growth was evaluated in vitro and with CFD in a coiled tube geometry designed to provide residence times and thermodynamic conditions consistent with the airways. Results The in vitro results and CFD predictions both indicated that the initially submicrometer particles increased in mean size to a range of 1.6–2.5 µm for the 50:50 combination of a non-hygroscopic drug (budesonide) and different hygroscopic excipients. CFD results matched the in vitro predictions to within 10% and highlighted gradual and steady size increase of the droplets, which will be effective for minimizing extrathoracic deposition and producing deposition deep within the respiratory tract. Conclusions Enhanced excipient growth (EEG) appears to provide an effective technique to increase pharmaceutical aerosol size, and the developed CFD model will provide a powerful design tool for optimizing this technique to produce high efficiency pulmonary delivery. PMID:21948458

  8. Condensational growth of combination drug-excipient submicrometer particles for targeted high efficiency pulmonary delivery: comparison of CFD predictions with experimental results.

    Science.gov (United States)

    Longest, P Worth; Hindle, Michael

    2012-03-01

    The objective of this study was to investigate the hygroscopic growth of combination drug and excipient submicrometer aerosols for respiratory drug delivery using in vitro experiments and a newly developed computational fluid dynamics (CFD) model. Submicrometer combination drug and excipient particles were generated experimentally using both the capillary aerosol generator and the Respimat inhaler. Aerosol hygroscopic growth was evaluated in vitro and with CFD in a coiled tube geometry designed to provide residence times and thermodynamic conditions consistent with the airways. The in vitro results and CFD predictions both indicated that the initially submicrometer particles increased in mean size to a range of 1.6-2.5 μm for the 50:50 combination of a non-hygroscopic drug (budesonide) and different hygroscopic excipients. CFD results matched the in vitro predictions to within 10% and highlighted gradual and steady size increase of the droplets, which will be effective for minimizing extrathoracic deposition and producing deposition deep within the respiratory tract. Enhanced excipient growth (EEG) appears to provide an effective technique to increase pharmaceutical aerosol size, and the developed CFD model will provide a powerful design tool for optimizing this technique to produce high efficiency pulmonary delivery.

  9. An experimental study of the effects of combined exposure to microwave and heat on gene expression and sperm parameters in mice

    Directory of Open Access Journals (Sweden)

    Faezeh A Gohari

    2017-01-01

    Full Text Available Objectives: Separate exposure to microwaves (MWs or heat had effects on expression levels of Bax and Bcl-2 and sperm parameters in studied group. Aims: The objectives of this research were to determine the effects of separate and combined exposure to 900-MHz MW (as representative of cell phone radiation and heat on gene expression and spermogram of male mice. Settings and Design: This experimental animal study was conducted in the school of public health. Materials and Methods: The study was done on 12 male mice randomly divided into four groups (21–23 g: control, test group 1 with separate exposure to 900-MHz MW, test group 2 with separate exposure to hot and sultry climate, and test group 3 with simultaneous whole body exposures to 900-MHz MW and hot and sultry climate. In all studied groups, gene expression and sperm parameters were measured. Results: Tissue samples in all test groups showed integrity of the seminiferous tubule followed by all types of germ line cells. Significant increases in the number of dead sperms in mice with separate exposure to heat were observed in comparison with the other studied groups (P < 0.05. The ratio of Bax expression was elevated to 0.015 ± 0.006 in mice after combined exposures to 900-MHz MW and heat. Conclusion: Separate and combined exposure to 900-MHz MW and heat may induce adverse effects on sperm parameters and gene expression of studied male mice.

  10. Some aspects of the combined mutagenic utilization of ionizing radiation and chemical mutagens in the experimental mutagenesis with Chlorella vulgaris B

    International Nuclear Information System (INIS)

    Mekhandzhiev, A.D.; Chankova, S.G.; Petkova, S.D.

    1979-01-01

    The influence of mutagen dose and cell cycle phase in combined mutagenic effects of ionizing radiation and EMS was experimentally studied on Chlorella vulgaris B. The duration of the cell cycle phases was determined from autoradiographic data on the kinetics of the incorporated labelled precursor ( 3 H-thymidine). The mutagenic effect was evaluated on the 10th or 11th day by the induced pigment mutations on a total of 450,105 colonies. It was found that the combining of 2, 6 or 15 krad gamma rays with EMC in doses 0.002, 0.125 or 0.5 M on the 4th, 12th, 11th, 16th or 18th hour of the cell cycle has a different effect, depending on mutagen dose and cell cycle phase. In this way, combining three different doses of gamma rays with 0.5 M EMC(LDsub(90-99)) at the onset of G 1 induces a distinct rise in the percentage of pigment mutations, as compared to the theoretically expected. The superadditive effect in this case however was associated with limitation of the mutation spectrum. Treatment with average lethal combination (6 krad gamma rays + 0.002 M EMC or 6 krad gamma rays + 0.125 M EMC) was not very effective, but the induced mutations had a rather broader spectrum (8-9 types). A comparison of the theoretically expected yield of pigment mutations with the actually obtained one shows a superadditibility only in cells treated in G 1 (LD 60 ) and in the mid S-phase (LD 40 ). (A.B.)

  11. A GEOMETRICAL SIMILARITY PATTERN AS AN EXPERIMENTAL MODEL FOR SHAPES IN ARCHITECTURAL HERITAGE: A CASE STUDY OF THE BASE OF THE PILLARS IN THE CATHEDRAL OF SEVILLE AND THE CHURCH OF SANTIAGO IN JEREZ, SPAIN

    Directory of Open Access Journals (Sweden)

    J. J. Moyano

    2017-02-01

    Full Text Available This paper proposes a procedure for the search of a geometrical similarity pattern in architectural heritage by means of calculating probability indexes to support hypotheses initially endorsed by documentary sources. The buildings analysed are the Cathedral of Seville and the Church of Santiago, in Jerez, Spain. The 3D models of their selected pillars are obtained by means of Terrestrial Laser Scanning (TLS, Optical Scanning (OS and photogrammetry through image-based modelling software (SFM-IBM. To this end, a procedure for the comparison of shapes is established. It is based on similarity statistics, the determination of homologous points and the agreement of characteristic sections. Here, two key aspects are considered: on the one hand, the metric standpoint; on the other hand, historical-graphical features of the 3D models: composition, techniques, styles, and historical-graphical documentary sources. Thus, putting aside the mere dimensional analysis, the sections are compared with graphical patterns and models of which the same authorship – stonemasons working in that age – is accurately known. As a result, the outcomes of this research reveal the geometrical similarity between the elements of the pillars of the Cathedral of Seville and the Church of Santiago.

  12. Notions of similarity for systems biology models.

    Science.gov (United States)

    Henkel, Ron; Hoehndorf, Robert; Kacprowski, Tim; Knüpfer, Christian; Liebermeister, Wolfram; Waltemath, Dagmar

    2018-01-01

    Systems biology models are rapidly increasing in complexity, size and numbers. When building large models, researchers rely on software tools for the retrieval, comparison, combination and merging of models, as well as for version control. These tools need to be able to quantify the differences and similarities between computational models. However, depending on the specific application, the notion of 'similarity' may greatly vary. A general notion of model similarity, applicable to various types of models, is still missing. Here we survey existing methods for the comparison of models, introduce quantitative measures for model similarity, and discuss potential applications of combined similarity measures. To frame model comparison as a general problem, we describe a theoretical approach to defining and computing similarities based on a combination of different model aspects. The six aspects that we define as potentially relevant for similarity are underlying encoding, references to biological entities, quantitative behaviour, qualitative behaviour, mathematical equations and parameters and network structure. We argue that future similarity measures will benefit from combining these model aspects in flexible, problem-specific ways to mimic users' intuition about model similarity, and to support complex model searches in databases. © The Author 2016. Published by Oxford University Press.

  13. Combined numerical and experimental determination of the convective heat transfer coefficient between an AlCrN-coated Vanadis 4 tool and Rhenus oil

    DEFF Research Database (Denmark)

    Üstünyagiz, Esmeray; Nielsen, Chris V.; Tiedje, Niels S.

    2018-01-01

    Abstract Regardless of the field of application, the reliability of numerical simulations depends on correct description of boundary conditions. In thermal simulation, determination of heat transfer coefficients is important because it varies with material properties and process conditions....... This paper shows a combined experimental and numerical analysis applied for determination of the heat transfer coefficient between an AlCrN-coated Vanadis 4 tool and Rhenus LA722086 oil in an unloaded condition, i.e. without the tool being in contact with a workpiece. It is found that the heat transfer...... coefficient in unloaded conditions at 80°C oil temperature is 0.1 kW/(m2∙K) between the selected stamping tool and mineral oil. A sensitivity analysis of the numerical model was performed to verify the effects of mesh discretization, temperature measurement location and tool geometry. Among these parameters...

  14. The specific heat loss combined with the thermoelastic effect for an experimental analysis of the mean stress influence on axial fatigue of stainless steel plain specimens

    Directory of Open Access Journals (Sweden)

    G. Meneghetti

    2014-10-01

    Full Text Available The energy dissipated to the surroundings as heat in a unit volume of material per cycle, Q, was recently proposed by the authors as fatigue damage index and it was successfully applied to correlate fatigue data obtained by carrying out fully reversed stress- and strain-controlled fatigue tests on AISI 304L stainless steel plain and notched specimens. The use of the Q parameter to analyse the experimental results led to the definition of a scatter band having constant slope from the low- to the high-cycle fatigue regime. In this paper the energy approach is extended to analyse the influence of mean stress on the axial fatigue behaviour of unnotched cold drawn AISI 304L stainless steel bars. In view of this, stress controlled fatigue tests on plain specimens at different load ratios R (R=-1; R=0.1; R=0.5 were carried out. A new energy parameter is defined to account for the mean stress effect, which combines the specific heat loss Q and the relative temperature variation due to the thermoelastic effect corresponding to the achievement of the maximum stress level of the stress cycle. The new two-parameter approach was able to rationalise the mean stress effect observed experimentally. It is worth noting that the results found in the present contribution are meant to be specific for the material and testing condition investigated here.

  15. Optimization of high pressure machine decocting process for Dachengqi Tang using HPLC fingerprints combined with the Box-Behnken experimental design.

    Science.gov (United States)

    Xie, Rui-Fang; Shi, Zhi-Na; Li, Zhi-Cheng; Chen, Pei-Pei; Li, Yi-Min; Zhou, Xin

    2015-04-01

    Using Dachengqi Tang (DCQT) as a model, high performance liquid chromatography (HPLC) fingerprints were applied to optimize machine extracting process with the Box-Behnken experimental design. HPLC fingerprints were carried out to investigate the chemical ingredients of DCQT; synthetic weighing method based on analytic hierarchy process (AHP) and criteria importance through intercriteria correlation (CRITIC) was performed to calculate synthetic scores of fingerprints; using the mark ingredients contents and synthetic scores as indicators, the Box-Behnken design was carried out to optimize the process parameters of machine decocting process under high pressure for DCQT. Results of optimal process showed that the herb materials were soaked for 45 min and extracted with 9 folds volume of water in the decocting machine under the temperature of 140 °C till the pressure arrived at 0.25 MPa; then hot decoction was excreted to soak Dahuang and Mangxiao for 5 min. Finally, obtained solutions were mixed, filtrated and packed. It concluded that HPLC fingerprints combined with the Box-Behnken experimental design could be used to optimize extracting process of traditional Chinese medicine (TCM).

  16. Optimization of high pressure machine decocting process for Dachengqi Tang using HPLC fingerprints combined with the Box–Behnken experimental design

    Directory of Open Access Journals (Sweden)

    Rui-Fang Xie

    2015-04-01

    Full Text Available Using Dachengqi Tang (DCQT as a model, high performance liquid chromatography (HPLC fingerprints were applied to optimize machine extracting process with the Box–Behnken experimental design. HPLC fingerprints were carried out to investigate the chemical ingredients of DCQT; synthetic weighing method based on analytic hierarchy process (AHP and criteria importance through intercriteria correlation (CRITIC was performed to calculate synthetic scores of fingerprints; using the mark ingredients contents and synthetic scores as indicators, the Box–Behnken design was carried out to optimize the process parameters of machine decocting process under high pressure for DCQT. Results of optimal process showed that the herb materials were soaked for 45 min and extracted with 9 folds volume of water in the decocting machine under the temperature of 140 °C till the pressure arrived at 0.25 MPa; then hot decoction was excreted to soak Dahuang and Mangxiao for 5 min. Finally, obtained solutions were mixed, filtrated and packed. It concluded that HPLC fingerprints combined with the Box–Behnken experimental design could be used to optimize extracting process of traditional Chinese medicine (TCM. Keywords: Dachengqi Tang, HPLC fingerprints, Box–Behnken design, Synthetic weighing method

  17. Similar or different?

    DEFF Research Database (Denmark)

    Cornér, Solveig; Pyhältö, Kirsi; Peltonen, Jouni

    2018-01-01

    Previous research has identified researcher community and supervisory support as key determinants of the doctoral journey contributing to students’ persistence and robustness. However, we still know little about cross-cultural variation in the researcher community and supervisory support experien...... counter partners, whereas the Finnish students perceived lower levels of instrumental support than the Danish students. The findings imply that seemingly similar contexts hold valid differences in experienced social support and educational strategies at the PhD level....... experienced by PhD students within the same discipline. This study explores the support experiences of 381 PhD students within the humanities and social sciences from three research-intensive universities in Denmark (n=145) and Finland (n=236). The mixed methods design was utilized. The data were collected...... counter partners. The results also indicated that the only form of support in which the students expressed more matched support than mismatched support was informational support. Further investigation showed that the Danish students reported a high level of mismatch in emotional support than their Finnish...

  18. Human in vitro 3D co-culture model to engineer vascularized bone-mimicking tissues combining computational tools and statistical experimental approach.

    Science.gov (United States)

    Bersini, Simone; Gilardi, Mara; Arrigoni, Chiara; Talò, Giuseppe; Zamai, Moreno; Zagra, Luigi; Caiolfa, Valeria; Moretti, Matteo

    2016-01-01

    The generation of functional, vascularized tissues is a key challenge for both tissue engineering applications and the development of advanced in vitro models analyzing interactions among circulating cells, endothelium and organ-specific microenvironments. Since vascularization is a complex process guided by multiple synergic factors, it is critical to analyze the specific role that different experimental parameters play in the generation of physiological tissues. Our goals were to design a novel meso-scale model bridging the gap between microfluidic and macro-scale studies, and high-throughput screen the effects of multiple variables on the vascularization of bone-mimicking tissues. We investigated the influence of endothelial cell (EC) density (3-5 Mcells/ml), cell ratio among ECs, mesenchymal stem cells (MSCs) and osteo-differentiated MSCs (1:1:0, 10:1:0, 10:1:1), culture medium (endothelial, endothelial + angiopoietin-1, 1:1 endothelial/osteo), hydrogel type (100%fibrin, 60%fibrin+40%collagen), tissue geometry (2 × 2 × 2, 2 × 2 × 5 mm(3)). We optimized the geometry and oxygen gradient inside hydrogels through computational simulations and we analyzed microvascular network features including total network length/area and vascular branch number/length. Particularly, we employed the "Design of Experiment" statistical approach to identify key differences among experimental conditions. We combined the generation of 3D functional tissue units with the fine control over the local microenvironment (e.g. oxygen gradients), and developed an effective strategy to enable the high-throughput screening of multiple experimental parameters. Our approach allowed to identify synergic correlations among critical parameters driving microvascular network development within a bone-mimicking environment and could be translated to any vascularized tissue. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. Combined analysis of data from two granddaughter designs: A simple strategy for QTL confirmation and increasing experimental power in dairy cattle

    Directory of Open Access Journals (Sweden)

    Blümel Jürgen

    2003-05-01

    Full Text Available Abstract A joint analysis of five paternal half-sib Holstein families that were part of two different granddaughter designs (ADR- or Inra-design was carried out for five milk production traits and somatic cell score in order to conduct a QTL confirmation study and to increase the experimental power. Data were exchanged in a coded and standardised form. The combined data set (JOINT-design consisted of on average 231 sires per grandsire. Genetic maps were calculated for 133 markers distributed over nine chromosomes. QTL analyses were performed separately for each design and each trait. The results revealed QTL for milk production on chromosome 14, for milk yield on chromosome 5, and for fat content on chromosome 19 in both the ADR- and the Inra-design (confirmed within this study. Some QTL could only be mapped in either the ADR- or in the Inra-design (not confirmed within this study. Additional QTL previously undetected in the single designs were mapped in the JOINT-design for fat yield (chromosome 19 and 26, protein yield (chromosome 26, protein content (chromosome 5, and somatic cell score (chromosome 2 and 19 with genomewide significance. This study demonstrated the potential benefits of a combined analysis of data from different granddaughter designs.

  20. "A combined experimental and individual-differences investigation into mind wandering during a video lecture": Correction to Kane et al. (2017).

    Science.gov (United States)

    2018-04-01

    Reports an error in "A combined experimental and individual-differences investigation into mind wandering during a video lecture" by Michael J. Kane, Bridget A. Smeekens, Claudia C. von Bastian, John H. Lurquin, Nicholas P. Carruth and Akira Miyake ( Journal of Experimental Psychology: General , 2017[Nov], Vol 146[11], 1649-1674). In the article, the legends for Figure 2 and Figure 4 were erroneous. The correct figures are included in the errata. The online version of this article has been corrected. (The following abstract of the original article appeared in record 2017-48585-001.) A combined experimental-correlational study with a diverse sample (N = 182) from 2 research sites tested a set of 5 a priori hypotheses about mind wandering and learning, using a realistic video lecture on introductory statistics. Specifically, the study examined whether students' vulnerability to mind wandering during the lecture would predict learning from, and situational interest in, the video and also whether longhand note-taking would help reduce mind wandering, at least for some students. One half of the participants took notes during the video, and all were subsequently tested on lecture content without notes. Regression and mediation analyses indicated that (a) several individual-differences variables (e.g., pretest score, prior math interest, classroom media multitasking habits) uniquely predicted in-lecture mind wandering frequency; (b) although the note-taking manipulation did not reduce mind wandering at the group level, note-taking still reduced mind wandering for some individuals (i.e., those with lower prior knowledge and those who took notes of high quality and quantity); (c) mind wandering uniquely predicted both learning (posttest) and situational interest outcomes above and beyond all other individual-differences variables; (d) moreover, mind wandering significantly mediated the effects of several individual differences; and, finally, (e) not all types of mind

  1. Accurate calculation of mutational effects on the thermodynamics of inhibitor binding to p38α MAP kinase: a combined computational and experimental study.

    Science.gov (United States)

    Zhu, Shun; Travis, Sue M; Elcock, Adrian H

    2013-07-09

    A major current challenge for drug design efforts focused on protein kinases is the development of drug resistance caused by spontaneous mutations in the kinase catalytic domain. The ubiquity of this problem means that it would be advantageous to develop fast, effective computational methods that could be used to determine the effects of potential resistance-causing mutations before they arise in a clinical setting. With this long-term goal in mind, we have conducted a combined experimental and computational study of the thermodynamic effects of active-site mutations on a well-characterized and high-affinity interaction between a protein kinase and a small-molecule inhibitor. Specifically, we developed a fluorescence-based assay to measure the binding free energy of the small-molecule inhibitor, SB203580, to the p38α MAP kinase and used it measure the inhibitor's affinity for five different kinase mutants involving two residues (Val38 and Ala51) that contact the inhibitor in the crystal structure of the inhibitor-kinase complex. We then conducted long, explicit-solvent thermodynamic integration (TI) simulations in an attempt to reproduce the experimental relative binding affinities of the inhibitor for the five mutants; in total, a combined simulation time of 18.5 μs was obtained. Two widely used force fields - OPLS-AA/L and Amber ff99SB-ILDN - were tested in the TI simulations. Both force fields produced excellent agreement with experiment for three of the five mutants; simulations performed with the OPLS-AA/L force field, however, produced qualitatively incorrect results for the constructs that contained an A51V mutation. Interestingly, the discrepancies with the OPLS-AA/L force field could be rectified by the imposition of position restraints on the atoms of the protein backbone and the inhibitor without destroying the agreement for other mutations; the ability to reproduce experiment depended, however, upon the strength of the restraints' force constant

  2. Combined Treatment of Large Hepatocellular Carcinoma with Transcatheter Arterial Chemoembolization and Percutaneous Ethanol Injection with a Multipronged Needle: Experimental and Clinical Investigation

    International Nuclear Information System (INIS)

    Kawamura, Rinako; Seki, Toshihito; Umehara, Hideto; Ikeda, Kozo; Inokuchi, Ryosuke; Asayama, Toshiki; Yamaguchi, Takashi; Takahashi, Yu; Sakao, Masayuki; Lencioni, Riccardo; Okazaki, Kazuichi

    2012-01-01

    Purpose: This study was designed to evaluate the usefulness of percutaneous ethanol injection (PEI) with a multipronged needle for the treatment of large hepatocellular carcinoma (HCC). An experimental animal study and a clinical investigation were performed. Methods: In the experimental study, 20 ml of 99.5% ethanol was injected into porcine liver in vivo with a multipronged needle (n = 5) or a straight needle (n = 5), and the volumes of coagulation necrosis were compared. In the clinical investigation, PEI was performed in 17 patients (10 men, 7 women; mean age 73.4 ± 6.7 years) with single, large HCC (mean tumor diameter, 47.2 ± 11.5 mm; range, 32–70 mm) by using a multipronged needle. Fifteen of 17 patients received transarterial chemoembolization (TACE) before PEI. Results: The volume of coagulation in porcine liver in vivo was significantly increased with the multipronged needle compared with the straight needle (longest perpendicular diameters, 34.2 ± 3.6 mm × 30.2 ± 3.6 mm vs. 22.6 ± 2.5 mm × 19 ± 2.2 mm, respectively; P < 0.05). In the clinical trial, initial complete response (CR) of the tumor was achieved in 17 of 17 patients, 7 of whom required two PEI sessions. During the follow-up, local recurrence was detected in 4 of 17 patients at 3–19 months after the procedure, for a rate of sustained local CR of 76%. No major complication occurred. Conclusions: Use of a multipronged needle substantially increases the volume of coagulation in vivo with respect to the conventional PEI technique. Combined TACE and PEI with multipronged needles is a safe and effective option for percutaneous treatment of single, large HCC.

  3. A combined experimental and theoretical approach to the study of hydrogen bond interaction in the binary mixture of N-methylimidazole with water

    International Nuclear Information System (INIS)

    Huang, Rongyi; Du, Rongbin; Liu, Guangxiang; Zhao, Xiuqin; Ye, Shiyong; Wu, Genhua

    2012-01-01

    Highlights: ► Densities of N-methylimidazole with water binary mixture were measured. ► Excess molar volumes were fitted to Redlich–Kister polynomial equation. ► Excess molar volumes are negative in the whole mole fraction range. ► 1:1 Hydrogen complex formation between the unlike components was observed. ► Formation of hydrogen bonds in the binary mixture was confirmed by DFT//B3LYP. - Abstract: The intermolecular hydrogen bond interactions in the N-methylimidazole (MeIm) with water binary mixture have been studied by a combined experimental and theoretical approach. The densities of the binary mixture have been measured at T = (288.15 to 323.15) K and at atmospheric pressure. From the experimental data, excess molar volumes were determined as a function of composition at each temperature. The results reveal the formation of 1:1 hydrogen bond complex between MeIm with water at the maximal excess molar volume. Meanwhile, the formation of hydrogen bonds in the binary mixture was further confirmed by high level theoretical calculation. The structures, interactional energies and bond characteristics of the hydrogen bond complexes were calculated in the gas phase using density functional theory (DFT) at the B3LYP/6-311++G(d, p) theory levels. The changes of thermodynamic properties from the monomers to hydrogen bond complexes with the temperature ranging from (288.15 to 323.15) K were obtained using the statistical thermodynamic method. Thermodynamic analyses have been interpreted in terms of intermolecular interactions and excess molar volume changes in the binary mixture. It was also found that the formation reaction of the hydrogen bond complex of MeIm with water was an exothermic, entropy reduced and spontaneous thermodynamic process at all the temperature studied.

  4. Using a gel/plastic surrogate to study the biomechanical response of the head under air shock loading: a combined experimental and numerical investigation.

    Science.gov (United States)

    Zhu, Feng; Wagner, Christina; Dal Cengio Leonardi, Alessandra; Jin, Xin; Vandevord, Pamela; Chou, Clifford; Yang, King H; King, Albert I

    2012-03-01

    A combined experimental and numerical study was conducted to determine a method to elucidate the biomechanical response of a head surrogate physical model under air shock loading. In the physical experiments, a gel-filled egg-shaped skull/brain surrogate was exposed to blast overpressure in a shock tube environment, and static pressures within the shock tube and the surrogate were recorded throughout the event. A numerical model of the shock tube was developed using the Eulerian approach and validated against experimental data. An arbitrary Lagrangian-Eulerian (ALE) fluid-structure coupling algorithm was then utilized to simulate the interaction of the shock wave and the head surrogate. After model validation, a comprehensive series of parametric studies was carried out on the egg-shaped surrogate FE model to assess the effect of several key factors, such as the elastic modulus of the shell, bulk modulus of the core, head orientation, and internal sensor location, on pressure and strain responses. Results indicate that increasing the elastic modulus of the shell within the range simulated in this study led to considerable rise of the overpressures. Varying the bulk modulus of the core from 0.5 to 2.0 GPa, the overpressure had an increase of 7.2%. The curvature of the surface facing the shock wave significantly affected both the peak positive and negative pressures. Simulations of the head surrogate with the blunt end facing the advancing shock front had a higher pressure compared to the simulations with the pointed end facing the shock front. The influence of an opening (possibly mimicking anatomical apertures) on the peak pressures was evaluated using a surrogate head with a hole on the shell of the blunt end. It was revealed that the presence of the opening had little influence on the positive pressures but could affect the negative pressure evidently.

  5. Role of energy level alignment in solar cells sensitized with a metal-free organic dye: A combined experimental and theoretical approach

    Energy Technology Data Exchange (ETDEWEB)

    Oprea, Corneliu I.; Lungu, Jeanina; Georgescu, Adrian; Moscalu, Florin; Oprea, Camelia; Girtu, Mihai A. [Department of Physics, Ovidius University of Constanta (Romania); Dumbrava, Anca [Department of Chemistry, Ovidius University of Constanta (Romania); Enache, Irina [Department of Chemistry, Ovidius University of Constanta (Romania); Department of Mathematics and Sciences, Constanta Maritime University (Romania)

    2011-10-15

    We report results of combined experimental and theoretical studies of dye-sensitized solar cells (DSSCs) using 5-(4-sulfophenylazo)salicylic acid disodium salt, known as Mordant Yellow 10 (MY-10), as TiO{sub 2} sensitizer. We focus on a single dye but vary the solvent and the pH of the solution as well as the photoelectrode preparation conditions to determine the conditions for best photovoltaic conversion efficiency. We found experimentally that the efficiency, measured under standard air mass 1.5 global (AM 1.5G) conditions, was higher in solutions of ethanol than of water, but still small (up to 0.174%), although the fill factor (FF) was large (up to 0.73). Of the dyes in ethanol, MY-10 in alkaline solution showed the best matching of the solar spectrum but displayed the lowest efficiency. Density functional theory (DFT) calculations provided the optimized geometry, electronic structure, and electronic spectrum of the dye in fully protonated as well as partially and totally deprotonated forms, in solution. The calculated optical spectra are consistent with the experimental data, with strong absorption in the visible range only for the alkaline dye solution. The low device efficiency is very likely related to the weak optical absorption in the visible range. The much higher photovoltaic conversion efficiency of the DSSCs fabricated using acid or roughly neutral pH solutions, corresponding to the protonated and partially deprotonated forms of MY-10, respectively, is likely caused by the better alignment of the ground state of the dye with the redox level of the electrolyte. The decrease with pH of the dye solution of the short-circuit current was linked to a weaker charge injection from the excited state of the dye to the conduction band of the oxide, which is correlated with the shifting of the excited state of the dye deeper into the CB edge of the semiconductor. The variation of the open-circuit voltage with the pH of the solution was linked to the adjustment

  6. Intrinsic Instability of Cs2In(I)M(III)X6 (M = Bi, Sb; X = Halogen) Double Perovskites: A Combined Density Functional Theory and Experimental Study.

    Science.gov (United States)

    Xiao, Zewen; Du, Ke-Zhao; Meng, Weiwei; Wang, Jianbo; Mitzi, David B; Yan, Yanfa

    2017-05-03

    Recently, there has been substantial interest in developing double-B-cation halide perovskites, which hold the potential to overcome the toxicity and instability issues inherent within emerging lead halide-based solar absorber materials. Among all double perovskites investigated, In(I)-based Cs 2 InBiCl 6 and Cs 2 InSbCl 6 have been proposed as promising thin-film photovoltaic absorber candidates, with computational examination predicting suitable materials properties, including direct bandgap and small effective masses for both electrons and holes. In this study, we report the intrinsic instability of Cs 2 In(I)M(III)X 6 (M = Bi, Sb; X = halogen) double perovskites by a combination of density functional theory and experimental study. Our results suggest that the In(I)-based double perovskites are unstable against oxidation into In(III)-based compounds. Further, the results show the need to consider reduction-oxidation (redox) chemistry when predicting stability of new prospective electronic materials, especially when less common oxidation states are involved.

  7. Identification of a new gene regulatory circuit involving B cell receptor activated signaling using a combined analysis of experimental, clinical and global gene expression data

    Science.gov (United States)

    Schrader, Alexandra; Meyer, Katharina; Walther, Neele; Stolz, Ailine; Feist, Maren; Hand, Elisabeth; von Bonin, Frederike; Evers, Maurits; Kohler, Christian; Shirneshan, Katayoon; Vockerodt, Martina; Klapper, Wolfram; Szczepanowski, Monika; Murray, Paul G.; Bastians, Holger; Trümper, Lorenz; Spang, Rainer; Kube, Dieter

    2016-01-01

    To discover new regulatory pathways in B lymphoma cells, we performed a combined analysis of experimental, clinical and global gene expression data. We identified a specific cluster of genes that was coherently expressed in primary lymphoma samples and suppressed by activation of the B cell receptor (BCR) through αIgM treatment of lymphoma cells in vitro. This gene cluster, which we called BCR.1, includes numerous cell cycle regulators. A reduced expression of BCR.1 genes after BCR activation was observed in different cell lines and also in CD10+ germinal center B cells. We found that BCR activation led to a delayed entry to and progression of mitosis and defects in metaphase. Cytogenetic changes were detected upon long-term αIgM treatment. Furthermore, an inverse correlation of BCR.1 genes with c-Myc co-regulated genes in distinct groups of lymphoma patients was observed. Finally, we showed that the BCR.1 index discriminates activated B cell-like and germinal centre B cell-like diffuse large B cell lymphoma supporting the functional relevance of this new regulatory circuit and the power of guided clustering for biomarker discovery. PMID:27166259

  8. The Protective Effects of Alpha-Lipoic Acid and Coenzyme Q10 Combination on Ovarian Ischemia-Reperfusion Injury: An Experimental Study

    Directory of Open Access Journals (Sweden)

    Ahmet Ali Tuncer

    2016-01-01

    Full Text Available Objective. This study aims to evaluate whether alpha-lipoic acid and/or coenzyme Q10 can protect the prepubertal ovarian tissue from ischemia-reperfusion injury in an experimental rat model of ovarian torsion. Materials and Methods. Forty-two female preadolescent Wistar-Albino rats were divided into 6 equal groups randomly. The sham group had laparotomy without torsion; the other groups had torsion/detorsion procedure. After undergoing torsion, group 2 received saline, group 3 received olive oil, group 4 received alpha-lipoic acid, group 5 received coenzyme Q10, and group 6 received both alpha-lipoic acid and coenzyme Q10 orally. The oxidant-antioxidant statuses of these groups were compared using biochemical measurement of oxidized/reduced glutathione, glutathione peroxidase and malondialdehyde, pathological evaluation of damage and apoptosis within the ovarian tissue, and immunohistochemical assessment of nitric oxide synthase. Results. The left ovaries of the alpha-lipoic acid + coenzyme Q10 group had significantly lower apoptosis scores and significantly higher nitric oxide synthase content than the left ovaries of the control groups. The alpha-lipoic acid + coenzyme Q10 group had significantly higher glutathione peroxidase levels and serum malondialdehyde concentrations than the sham group. Conclusions. The combination of alpha-lipoic acid and coenzyme Q10 has beneficial effects on oxidative stress induced by ischemia-reperfusion injury related to ovarian torsion.

  9. Experimental study of divertor plasma-facing components damage under a combination of pulsed and quasi-stationary heat loads relevant to expected transient events at ITER

    International Nuclear Information System (INIS)

    Klimov, N S; Podkovyrov, V L; Kovalenko, D V; Zhitlukhin, A M; Barsuk, V A; Mazul, I V; Giniyatulin, R N; Kuznetsov, V Ye; Riccardi, B; Loarte, A; Merola, M; Koidan, V S; Linke, J; Landman, I S; Pestchanyi, S E; Bazylev, B N

    2011-01-01

    This paper concerns the experimental study of damage of ITER divertor plasma-facing components (PFCs) under a combination of pulsed plasma heat loads (representative of controlled ITER type I edge-localized modes (ELMs)) and quasi-stationary heat loads (representative of the high heat flux (HHF) thermal fatigue expected during ITER normal operations and slow transient events). The PFC's tungsten armor damage under pulsed plasma exposure was driven by (i) the melt layer motion, which leads to bridges formation between neighboring tiles and (ii) the W brittle failure giving rise to a stable crack pattern on the exposed surface. The crack width reaches a saturation value that does not exceed some tens of micrometers after several hundreds of ELM-like pulses. HHF thermal fatigue tests have shown (i) a peeling-off of the re-solidified material due to its brittle failure and (ii) a significant widening (up to 10 times) of the cracks and the formation of additional cracks.

  10. Effects of low-level laser therapy (LLLT) and diclofenac (topical and intramuscular) as single and combined therapy in experimental model of controlled muscle strain in rats.

    Science.gov (United States)

    de Paiva Carvalho, Rodrigo Leal; Leal-Junior, Ernesto Cesar Pinto; Petrellis, Maria Carla; Marcos, Rodrigo Labat; de Carvalho, Maria Helena Catelli; De Nucci, Gilberto; Lopes-Martins, Rodrigo Alvaro Brandão

    2013-01-01

    Muscle injuries represent ca 30% of sports injuries and excessive stretching of muscle causes more than 90% of injuries. Currently the most used treatments are nonsteroidal anti-inflammatory drugs (NSAIDs), however, in last years, low-level laser therapy (LLLT) is becoming an interesting therapeutic modality. The aim of this study was to evaluate the effect of single and combined therapies (LLLT, topical application of diclofenac and intramuscular diclofenac) on functional and biochemical aspects in an experimental model of controlled muscle strain in rats. Muscle strain was induced by overloading tibialis anterior muscle of rats. Injured groups received either no treatment, or a single treatment with topical or intramuscular diclofenac (TD and ID), or LLLT (3 J, 810 nm, 100 mW) 1 h after injury. Walking track analysis was the functional outcome and biochemical analyses included mRNA expression of COX-1 and COX-2 and blood levels of prostaglandin E2 (PGE2 ). All treatments significantly decreased COX-1 and COX-2 gene expression compared with injury group (P levels and walking track analysis (P topical and intramuscular diclofenac in treatment of muscle strain injury in acute stage. © 2012 Wiley Periodicals, Inc. Photochemistry and Photobiology © 2012 The American Society of Photobiology.

  11. Experimental evaluation of electrical conductivity imaging of anisotropic brain tissues using a combination of diffusion tensor imaging and magnetic resonance electrical impedance tomography

    Energy Technology Data Exchange (ETDEWEB)

    Sajib, Saurav Z. K.; Jeong, Woo Chul; Oh, Tong In; Kim, Hyung Joong, E-mail: bmekim@khu.ac.kr, E-mail: ejwoo@khu.ac.kr; Woo, Eung Je, E-mail: bmekim@khu.ac.kr, E-mail: ejwoo@khu.ac.kr [Department of Biomedical Engineering, Kyung Hee University, Seoul 02447 (Korea, Republic of); Kyung, Eun Jung [Department of Pharmacology, Chung-Ang University, Seoul 06974 (Korea, Republic of); Kim, Hyun Bum [Department of East-West Medical Science, Kyung Hee University, Yongin 17104 (Korea, Republic of); Kwon, Oh In [Department of Mathematics, Konkuk University, Seoul 05029 (Korea, Republic of)

    2016-06-15

    Anisotropy of biological tissues is a low-frequency phenomenon that is associated with the function and structure of cell membranes. Imaging of anisotropic conductivity has potential for the analysis of interactions between electromagnetic fields and biological systems, such as the prediction of current pathways in electrical stimulation therapy. To improve application to the clinical environment, precise approaches are required to understand the exact responses inside the human body subjected to the stimulated currents. In this study, we experimentally evaluate the anisotropic conductivity tensor distribution of canine brain tissues, using a recently developed diffusion tensor-magnetic resonance electrical impedance tomography method. At low frequency, electrical conductivity of the biological tissues can be expressed as a product of the mobility and concentration of ions in the extracellular space. From diffusion tensor images of the brain, we can obtain directional information on diffusive movements of water molecules, which correspond to the mobility of ions. The position dependent scale factor, which provides information on ion concentration, was successfully calculated from the magnetic flux density, to obtain the equivalent conductivity tensor. By combining the information from both techniques, we can finally reconstruct the anisotropic conductivity tensor images of brain tissues. The reconstructed conductivity images better demonstrate the enhanced signal intensity in strongly anisotropic brain regions, compared with those resulting from previous methods using a global scale factor.

  12. A Combined Experimental and Theoretical Study on the Formation of Interstellar Propylene Oxide (CH3CHCH2O)—A Chiral Molecule

    Science.gov (United States)

    Bergantini, Alexandre; Abplanalp, Matthew J.; Pokhilko, Pavel; Krylov, Anna I.; Shingledecker, Christopher N.; Herbst, Eric; Kaiser, Ralf I.

    2018-06-01

    This work reveals via a combined experimental, computational, and astrochemical modeling study that racemic propylene oxide (c-C3H6O)—the first chiral molecule detected outside Earth toward the high-mass star-forming region Sagittarius B2(N)—can be synthesized by non-equilibrium reactions initiated by the effects of secondary electrons generated in the track of cosmic rays interacting with ice-coated interstellar grains through excited-state and spin-forbidden reaction pathways operating within low-temperature interstellar ices at 10 K. Our findings confront traditional hypotheses that thermal chemistries followed by processing of interstellar grains dictate the formation of complex organic molecules (COMs) in molecular clouds. Instead, we reveal a hitherto poorly quantified reaction class involving excited-state and spin-forbidden chemistry leading to racemic mixtures of COMs inside interstellar ices prior to their sublimation in star-forming regions. This fundamental production mechanism is of essential consequence in aiding our understanding of the origin and evolution of chiral molecules in the universe.

  13. An accurate density functional theory based estimation of pK(a) values of polar residues combined with experimental data: from amino acids to minimal proteins.

    Science.gov (United States)

    Matsui, Toru; Baba, Takeshi; Kamiya, Katsumasa; Shigeta, Yasuteru

    2012-03-28

    We report a scheme for estimating the acid dissociation constant (pK(a)) based on quantum-chemical calculations combined with a polarizable continuum model, where a parameter is determined for small reference molecules. We calculated the pK(a) values of variously sized molecules ranging from an amino acid to a protein consisting of 300 atoms. This scheme enabled us to derive a semiquantitative pK(a) value of specific chemical groups and discuss the influence of the surroundings on the pK(a) values. As applications, we have derived the pK(a) value of the side chain of an amino acid and almost reproduced the experimental value. By using our computing schemes, we showed the influence of hydrogen bonds on the pK(a) values in the case of tripeptides, which decreases the pK(a) value by 3.0 units for serine in comparison with those of the corresponding monopeptides. Finally, with some assumptions, we derived the pK(a) values of tyrosines and serines in chignolin and a tryptophan cage. We obtained quite different pK(a) values of adjacent serines in the tryptophan cage; the pK(a) value of the OH group of Ser13 exposed to bulk water is 14.69, whereas that of Ser14 not exposed to bulk water is 20.80 because of the internal hydrogen bonds.

  14. Combined Experimental and Theoretical Investigations on Optical Activities of Möbius Aromatic and Möbius Antiaromatic Hexaphyrin Phosphorus Complexes.

    Science.gov (United States)

    Mori, Tadashi; Tanaka, Takayuki; Higashino, Tomohiro; Yoshida, Kota; Osuka, Atsuhiro

    2016-06-23

    Intrinsically chiral Möbius aromatic [28]hexaphyrin monophosphorus(V) and Möbius antiaromatic [30]hexaphyrin bisphosphorus(V) complexes have been optically resolved and their absolute configurations (ACs) were determined by combined experimental and theoretical investigations on their circular dichroisms (CDs). First elutes in chiral HPLC exhibited strong positive Cotton effects (CEs) at the B-band, characteristic for the ML configurations in their Möbius strips. Weak CEs at the Q-band, if attainable, complemented their AC assignment. The whole CD pattern and intensity were well reproduced by time-dependent approximate coupled cluster theory using model systems that omit five outward meso-aryl substituents (inward-meso-retained model), providing a solid basis for AC assignment. The cost efficient TD-DFT method with appropriate functionals for fully substituted (nontruncated) complexes well reproduced CEs around the B-band (but less satisfactory at the Q-band), also allows the rapid AC estimation for their Möbius strips. Observed difference in CDs between aromatic and antiaromatic hexaphyrins were better interpreted by their shifts in energy levels and altered interactions of relevant molecular orbitals, rather than small differences in Möbius geometries nor aromatic/antiaromatic character, despite the correlations recently claimed in planar π-systems.

  15. Differential effect of IP- and IV-injected nitrogen mustard on subsequently-irradiated intestinal crypts: implications for 'dose-effect factors' predicted by experimental, combined modality therapy

    International Nuclear Information System (INIS)

    Moore, J.V.

    1984-01-01

    In experimental chemotherapy-radiotherapy, cytotoxic drugs are almost invariably injected by the intraperitoneal (IP) route. This contrasts with normal clinical practice, which is to employ the intravenous (IV) route. We have used a clonogenic assay of gastrointestinal (GI) injury in mice to show that a given administered dose of nitrogen mustard (HN 2 ), injected IP, results in a much greater reduction in the subsequent radiation dose required to achieve an isoeffect, than if the drug is injected IV. At an administered dose of 3.5 mg kg -1 of HN 2 (the animal LDsub(10/30) for IP injection), the radiation dose-reduction factor for 10% survival of intestinal crypts, was 1.94 for IP HN 2 and only 1.28 for IV HN 2 . Even the grossly-equitoxic (mouse LDsub(10/30)) dose of IV HN 2 resulted in a smaller predicted radiation dose reduction for GI injury, by a factor of 1.45. The validity of using the IP route in combined chemotherapy-radiotherapy studies designed to generate quantitative estimates of toxicity is discussed. (author)

  16. A combined theoretical-experimental study of interactions between vanadium ions and Nafion membrane in all-vanadium redox flow batteries

    Science.gov (United States)

    Intan, Nadia N.; Klyukin, Konstantin; Zimudzi, Tawanda J.; Hickner, Michael A.; Alexandrov, Vitaly

    2018-01-01

    Vanadium redox flow batteries (VRFBs) are a promising solution for large-scale energy storage, but a number of problems still impede the deployment of long-lifetime VRFBs. One important aspect of efficient operation of VRFBs is understanding interactions between vanadium species and the membrane. Herein, we investigate the interactions between all four vanadium cations and Nafion membrane by a combination of infrared (IR) spectroscopy and density-functional-theory (DFT)-based static and molecular dynamics simulations. It is observed that vanadium species primarily lead to changes in the IR spectrum of Nafion in the SO3- spectral region which is attributed to the interaction between vanadium species and the SO3- exchange sites. DFT calculations of vanadium -Nafion complexes in the gas phase show that it is thermodynamically favorable for all vanadium cations to bind to SO3- via a contact pair mechanism. Car-Parrinello molecular dynamics-based metadynamics simulations of cation-Nafion systems in aqueous solution suggest that V2+ and V3+ species coordinate spontaneously to SO3-, which is not the case for VO2+ and VO2+ . The interaction behavior of the uncycled membrane determined in this study is used to explain the experimentally observed changes in the vibrational spectra, and is discussed in light of previous results on device-cycled membranes.

  17. Web service discovery among large service pools utilising semantic similarity and clustering

    Science.gov (United States)

    Chen, Fuzan; Li, Minqiang; Wu, Harris; Xie, Lingli

    2017-03-01

    With the rapid development of electronic business, Web services have attracted much attention in recent years. Enterprises can combine individual Web services to provide new value-added services. An emerging challenge is the timely discovery of close matches to service requests among large service pools. In this study, we first define a new semantic similarity measure combining functional similarity and process similarity. We then present a service discovery mechanism that utilises the new semantic similarity measure for service matching. All the published Web services are pre-grouped into functional clusters prior to the matching process. For a user's service request, the discovery mechanism first identifies matching services clusters and then identifies the best matching Web services within these matching clusters. Experimental results show that the proposed semantic discovery mechanism performs better than a conventional lexical similarity-based mechanism.

  18. Effect of radiotherapy in combination with liposomal MTP-PE or inhibitors of metabolism of eicosanoids on the growth of experimental fibrosarcoma

    International Nuclear Information System (INIS)

    Fedorocko, P.; Sedlakova, Z.; Mackova, N.; Sabol, M.; Eliasova, V.; Kocikova, A.; Matula, P.

    1998-01-01

    The immunophenotypization, tumorigenicity and immunogenicity of the tumor were characterized. The tumorigenic dose of the fibrosarcoma G5:1:13 for mice C3H/DiSn when administered s.c. is 1x10 5 per mouse. With this dose, tumors with an average volume of 64 mm 3 on day 6 developed; 98-100% mice died on day 120. The phenotype of the fibrosarcoma, which is immunogenic, is MHC-I + , HNC-II - , B7 - , B7.2 - . After administration of irradiated tumor cells (2 doses, s.c., 1x10 6 per mouse), a tumor developed in none of the animals to which the non-irradiated tumor cells had been administered. The effect of the individual factors was examined. Gamma radiation affected survival of the mice as follows: 2x8 Gy (60%), 4x6 Gy (80%), 5x5 Gy (80%), 3x7 Gy (80%), in positive correlation with the tumor size. The growth was affected similarly by MTP-PE (40%), diclofenac (40%), ibuprofen (40%) and flurbiprofen (30%). When diclofenac was combined with MTP-PE, a surprising strengthening of the tumor growth was observed. This finding is very important in view of the clinical use of MTP-PE and inhibitors of arachidonic acid metabolism in the treatment of tumorous diseases

  19. Combined experimental and theoretical assessments of the lattice dynamics and optoelectronics of TaON and Ta{sub 3}N{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Nurlaela, Ela; Harb, Moussab [Division of Physical Sciences and Engineering, KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 Saudi Arabia (Saudi Arabia); Gobbo, Silvano del [Solar and Photovoltaic Engineering Center, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Vashishta, Manish [Division of Physical Sciences and Engineering, KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 Saudi Arabia (Saudi Arabia); Takanabe, Kazuhiro, E-mail: kazuhiro.takanabe@kaust.edu.sa [Division of Physical Sciences and Engineering, KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 Saudi Arabia (Saudi Arabia)

    2015-09-15

    Presented herein is a detailed discussion of the properties of the lattice dynamic and optoelectronic properties of tantalum(V) oxynitride (TaON) and tantalum(V) nitride (Ta{sub 3}N{sub 5}), from experimental and theoretical standpoint. The active Raman and infra red (IR) frequencies of TaON and Ta{sub 3}N{sub 5} were measured using confocal Raman and Fourier Transform Infrared spectroscopies (FTIR) and calculated using the linear response method within the density functional perturbation theory (DFPT). The detailed study leads to an exhaustive description of the spectra, including the symmetry of the vibrational modes. Electronic structures of these materials were computed using DFT within the range-separated hybrid HSE06 exchange–correlation formalism. Electronic and ionic contributions to the dielectric constant tensors of these materials were obtained from DFPT within the linear response method using the PBE functional. Furthermore, effective mass of photogenerated holes and electrons at the band edges of these compounds were computed from the electronic band structure obtained at the DFT/HSE06 level of theory. The results suggest that anisotropic nature in TaON and Ta{sub 3}N{sub 5} is present in terms of dielectric constant and effective masses. - Graphical abstract: Detailed investigation has been conducted from combined experimental and theoretical approaches on Raman and IR spectroscopies, electronic structures, dielectric constants and effective masses of TaON and Ta{sub 3}N{sub 5}. - Highlights: • Crystal structures of TaON and Ta{sub 3}N{sub 5} are discussed based on XRD and DFT calculation. • Raman and IR spectra of TaON and Ta{sub 3}N{sub 5} materials are measured and computed by DFPT method. • Optoelectronic properties of TaON and Ta{sub 3}N{sub 5} are discussed. • Dielectric constant and effective masses of TaON and Ta{sub 3}N{sub 5} are calculated.

  20. Evaluation of oxygen species during E-H transition in inductively coupled RF plasmas: combination of experimental results with global model

    Science.gov (United States)

    Meichsner, Jürgen; Wegner, Thomas

    2018-05-01

    Inductively coupled RF plasmas (ICP) in oxygen at low pressure have been intensively studied as a molecular and electronegative model system in the last funding period of the Collaborative Research Centre 24 "Fundamentals of Complex Plasmas". The ICP configuration consists of a planar coil inside a quartz cylinder as dielectric barrier which is immersed in a large stainless steel vacuum chamber. In particular, the E-H mode transition has been investigated, combining experimental results from comprehensive plasma diagnostics as input for analytical rate equation calculation of a volume averaged global model. The averaged density was determined for electrons, negative ions O-, molecular oxygen ground state O2(X3 Σg-) and singlet metastable state O2(a1 Δg) from line-integrated measurements using 160 GHz Gaussian beam microwave interferometry coupled with laser photodetachment experiment and VUV absorption spectroscopy, respectively. Taking into account the relevant elementary processes and rate coefficients from literature together with the measured temperatures and averaged density of electrons, O2(X3 Σg-) and O2(a1 Δg) the steady state density was calculated for O(3P), O2(b1 Σg+), O(1D), O(1S), O3, O-, O2-, and O3-, respectively. The averaged density of negative ions O- from the rate equation calculation is compared with the measured one. The normalized source and loss rates are discussed for O(3P), O2(b1 Σg+) and O-. Contribution to the Topical Issue "Fundamentals of Complex Plasmas", edited by Jürgen Meichsner, Michael Bonitz, Holger Fehske, Alexander Piel.

  1. [ACTION OF L-CARNITINE, CORVITIN AND THEIR COMBINATION ON FUNCTIONAL STATE OF LIVER IN EXPERIMENTAL MODEL OF REYE SYNDROME IN RATS].

    Science.gov (United States)

    Ghonghadze, M; Antelava, N; Liluashvili, K; Okujava, M; Pachkoria, K

    2017-02-01

    Administration of Aacetylsalicylic acid in children with viral infections (influence B, chickenpox) can be related with development of Reye syndrome - severe encephalopathy and liver insufficiency with mortality in 50% of cases. During Reye syndrome most important is deficiency of carnitine and hepatocyte damage. Decreased amount of carnitine impairs the energy function of mitochondria and gluconeogenesis as well as production of urea. As a result develops toxic encephalopathy and liver insufficiency. The goal of the research was assessment of efficacy of L-Carnitine, Corvitin and their combination on functional state of liver in experimental model of Reye Syndrome in rats. The study was performed on mature white male Wistar rates with body mass 150-180g. 50 rats were randomly divided into 5 groups (10 rats in each group). The model of Reye syndrome was induced in accordance with A.Vengersky's method. Intraperitoneal administration of 4-pentenoic acid was performed once daily during seven days, the used dosage was 20mg/kg. The treatment of toxic hepatitis was carried with intraperitoneal administration of L-Carnitine 300mg/kg, Corvitine 100mg/kg and concurrent administration of these drugs. Monotherapy with Corvitin and L-Carnitin successfully improved liver function and equally decreased indicators of hepatocyte's cytolyses and increased levels of glucose and urea. The markers of cholestasis was slightly more improved during use of L-Carnitine. Simultaneous use of both drugs was effective in rats with Reye syndrome, indicators of liver damage normalized and herewith, no mortality outcome was observed. The most pronounced hepatoprotective effect of concurrent administration of L-Carnitine and Corvitin may be due to synergic action of these drugs and such regime can be recommended for correction of liver function during Reye syndrome.

  2. Overtone vibrational spectroscopy in H2-H2O complexes: a combined high level theoretical ab initio, dynamical and experimental study.

    Science.gov (United States)

    Ziemkiewicz, Michael P; Pluetzer, Christian; Nesbitt, David J; Scribano, Yohann; Faure, Alexandre; van der Avoird, Ad

    2012-08-28

    First results are reported on overtone (v(OH) = 2 ← 0) spectroscopy of weakly bound H(2)-H(2)O complexes in a slit supersonic jet, based on a novel combination of (i) vibrationally mediated predissociation of H(2)-H(2)O, followed by (ii) UV photodissociation of the resulting H(2)O, and (iii) UV laser induced fluorescence on the nascent OH radical. In addition, intermolecular dynamical calculations are performed in full 5D on the recent ab initio intermolecular potential of Valiron et al. [J. Chem. Phys. 129, 134306 (2008)] in order to further elucidate the identity of the infrared transitions detected. Excellent agreement is achieved between experimental and theoretical spectral predictions for the most strongly bound van der Waals complex consisting of ortho (I = 1) H(2) and ortho (I = 1) H(2)O (oH(2)-oH(2)O). Specifically, two distinct bands are seen in the oH(2)-oH(2)O spectrum, corresponding to internal rotor states in the upper vibrational manifold of Σ and Π rotational character. However, none of the three other possible nuclear spin modifications (pH(2)-oH(2)O, pH(2)-pH(2)O, or oH(2)-pH(2)O) are observed above current signal to noise level, which for the pH(2) complexes is argued to arise from displacement by oH(2) in the expansion mixture to preferentially form the more strongly bound species. Direct measurement of oH(2)-oH(2)O vibrational predissociation in the time domain reveals lifetimes of 15(2) ns and <5(2) ns for the Σ and Π states, respectively. Theoretical calculations permit the results to be interpreted in terms of near resonant energy levels and intermolecular alignment of the H(2) and H(2)O wavefunctions, providing insight into predissociation dynamical pathways from these metastable levels.

  3. Exploration of parameters influencing the self-absorption losses in luminescent solar concentrators with an experimentally validated combined ray-tracing/Monte-Carlo model

    Science.gov (United States)

    Krumer, Zachar; van Sark, Wilfried G. J. H. M.; de Mello Donegá, Celso; Schropp, Ruud E. I.

    2013-09-01

    Luminescent solar concentrators (LSCs) are low cost photovoltaic devices, which reduce the amount of necessary semiconductor material per unit area of a photovoltaic solar energy converter by means of concentration. The device is comprised of a thin plastic plate in which luminescent species (fluorophores) have been incorporated.The fluorophores absorb the solar light and radiatively re-emit a part of the energy. Total internal reflection traps most of the emitted light inside the plate and wave-guides it to a narrow side facet with a solar cell attached, where conversion into electricity occurs. The eciency of such devices is as yet rather low, due to several loss mechanisms, of which self-absorption is of high importance. Combined ray-tracing and Monte-Carlosimulations is a widely used tool for efficiency estimations of LSC-devices prior to manufacturing. We have applied this method to a model experiment, in which we analysed the impact of self-absorption onto LSC-efficiency of fluorophores with different absorption/emission-spectral overlap (Stokes-shift): several organic dyes and semiconductor quantum dots (single compound and core/shell of type-II). These results are compared with the ones obtained experimentally demonstrating a good agreement. The validated model is used to investigate systematically the influence of spectral separation and luminescence quantum efficiency on the intensity loss inconsequence of increased self-absorption. The results are used to adopt a quantity called the self-absorption cross-section and establish it as reliable criterion for self-absorption properties of materials that can be obtained from fundamental data and has a more universal scope of application, than the currently used Stokes-shift.

  4. Surf similarity and solitary wave runup

    DEFF Research Database (Denmark)

    Fuhrman, David R.; Madsen, Per A.

    2008-01-01

    The notion of surf similarity in the runup of solitary waves is revisited. We show that the surf similarity parameter for solitary waves may be effectively reduced to the beach slope divided by the offshore wave height to depth ratio. This clarifies its physical interpretation relative to a previ...... functional dependence on their respective surf similarity parameters. Important equivalencies in the runup of sinusoidal and solitary waves are thus revealed.......The notion of surf similarity in the runup of solitary waves is revisited. We show that the surf similarity parameter for solitary waves may be effectively reduced to the beach slope divided by the offshore wave height to depth ratio. This clarifies its physical interpretation relative...... to a previous parameterization, which was not given in an explicit form. Good coherency with experimental (breaking) runup data is preserved with this simpler parameter. A recasting of analytical (nonbreaking) runup expressions for sinusoidal and solitary waves additionally shows that they contain identical...

  5. Self-Efficacy, Planning, or a Combination of Both? A Longitudinal Experimental Study Comparing Effects of Three Interventions on Adolescents’ Body Fat

    Science.gov (United States)

    Luszczynska, Aleksandra; Hagger, Martin S.; Banik, Anna; Horodyska, Karolina; Knoll, Nina; Scholz, Urte

    2016-01-01

    Background The superiority of an intervention combining two sets of theory-based behavior change techniques targeting planning and self-efficacy over an intervention targeting planning only or self-efficacy only has rarely been investigated. Purpose We compared the influence of self-efficacy, planning, and self-efficacy+planning interventions with an education-based control condition on adolescents’ body fat, assuming mediating effects of respective social cognitive variables and moderate-to-vigorous physical activity (MVPA). The moderating role of the built environment was examined. Methods Participants (N = 1217, aged 14–18 years) were randomly assigned to four conditions: planning (n = 270), self-efficacy (n = 311), self-efficacy+planning (n = 351), and control (n = 285). The measurement was conducted at baseline (T1), two-month follow-up (T2), and fourteen-month follow-up (T3). Interventions/control group procedures were delivered at T1 and T2. Percent of body fat tissue (measured at T1 and T3) was the main outcome. Social cognitive mediators (self-efficacy and planning) were assessed at T1 and T2. The behavioral mediator (MVPA) and the presence of built MVPA facilities (the moderator) were evaluated at T1 and T3. Results Similar small increases of body fat were found across the three intervention groups, but the increment of body fat was significantly larger in the control group. On average, differences between control and intervention groups translated to approximately 1% of body fat. Effects of the interventions on body fat were mediated by relevant social cognitive variables and MVPA. A lower increase of body fat was found among intervention group participants who had access to newly-built MVPA facilities. Conclusions We found no superiority of an intervention targeting two social cognitive variables over the intervention targeting one cognition only. PMID:27410961

  6. A Similarity Search Using Molecular Topological Graphs

    Directory of Open Access Journals (Sweden)

    Yoshifumi Fukunishi

    2009-01-01

    Full Text Available A molecular similarity measure has been developed using molecular topological graphs and atomic partial charges. Two kinds of topological graphs were used. One is the ordinary adjacency matrix and the other is a matrix which represents the minimum path length between two atoms of the molecule. The ordinary adjacency matrix is suitable to compare the local structures of molecules such as functional groups, and the other matrix is suitable to compare the global structures of molecules. The combination of these two matrices gave a similarity measure. This method was applied to in silico drug screening, and the results showed that it was effective as a similarity measure.

  7. Notions of similarity for computational biology models

    KAUST Repository

    Waltemath, Dagmar

    2016-03-21

    Computational models used in biology are rapidly increasing in complexity, size, and numbers. To build such large models, researchers need to rely on software tools for model retrieval, model combination, and version control. These tools need to be able to quantify the differences and similarities between computational models. However, depending on the specific application, the notion of similarity may greatly vary. A general notion of model similarity, applicable to various types of models, is still missing. Here, we introduce a general notion of quantitative model similarities, survey the use of existing model comparison methods in model building and management, and discuss potential applications of model comparison. To frame model comparison as a general problem, we describe a theoretical approach to defining and computing similarities based on different model aspects. Potentially relevant aspects of a model comprise its references to biological entities, network structure, mathematical equations and parameters, and dynamic behaviour. Future similarity measures could combine these model aspects in flexible, problem-specific ways in order to mimic users\\' intuition about model similarity, and to support complex model searches in databases.

  8. Notions of similarity for computational biology models

    KAUST Repository

    Waltemath, Dagmar; Henkel, Ron; Hoehndorf, Robert; Kacprowski, Tim; Knuepfer, Christian; Liebermeister, Wolfram

    2016-01-01

    Computational models used in biology are rapidly increasing in complexity, size, and numbers. To build such large models, researchers need to rely on software tools for model retrieval, model combination, and version control. These tools need to be able to quantify the differences and similarities between computational models. However, depending on the specific application, the notion of similarity may greatly vary. A general notion of model similarity, applicable to various types of models, is still missing. Here, we introduce a general notion of quantitative model similarities, survey the use of existing model comparison methods in model building and management, and discuss potential applications of model comparison. To frame model comparison as a general problem, we describe a theoretical approach to defining and computing similarities based on different model aspects. Potentially relevant aspects of a model comprise its references to biological entities, network structure, mathematical equations and parameters, and dynamic behaviour. Future similarity measures could combine these model aspects in flexible, problem-specific ways in order to mimic users' intuition about model similarity, and to support complex model searches in databases.

  9. A combined CFD-experimental method for developing an erosion equation for both gas-sand and liquid-sand flows

    Science.gov (United States)

    Mansouri, Amir

    The surface degradation of equipment due to consecutive impacts of abrasive particles carried by fluid flow is called solid particle erosion. Solid particle erosion occurs in many industries including oil and gas. In order to prevent abrupt failures and costly repairs, it is essential to predict the erosion rate and identify the locations of the equipment that are mostly at risk. Computational Fluid Dynamics (CFD) is a powerful tool for predicting the erosion rate. Erosion prediction using CFD analysis includes three steps: (1) obtaining flow solution, (2) particle tracking and calculating the particle impact speed and angle, and (3) relating the particle impact information to mass loss of material through an erosion equation. Erosion equations are commonly generated using dry impingement jet tests (sand-air), since the particle impact speed and angle are assumed not to deviate from conditions in the jet. However, in slurry flows, a wide range of particle impact speeds and angles are produced in a single slurry jet test with liquid and sand particles. In this study, a novel and combined CFD/experimental method for developing an erosion equation in slurry flows is presented. In this method, a CFD analysis is used to characterize the particle impact speed, angle, and impact rate at specific locations on the test sample. Then, the particle impact data are related to the measured erosion depth to achieve an erosion equation from submerged testing. Traditionally, it was assumed that the erosion equation developed based on gas testing can be used for both gas-sand and liquid-sand flows. The erosion equations developed in this work were implemented in a CFD code, and CFD predictions were validated for various test conditions. It was shown that the erosion equation developed based on slurry tests can significantly improve the local thickness loss prediction in slurry flows. Finally, a generalized erosion equation is proposed which can be used to predict the erosion rate in

  10. Anatase nanoparticles surface modified with fused ring salicylate-type ligands (1-hydroxy-2-naphthoic acids): A combined DFT and experimental study

    Energy Technology Data Exchange (ETDEWEB)

    Savić, Tatjana D.; Čomor, Mirjana I.; Abazović, Nadica D.; Šaponjić, Zoran V.; Marinović-Cincović, Milena T. [University of Belgrade, Vinča Institute of Nuclear Sciences, P.O. Box 522, 11001 Belgrade (Serbia); Veljković, Dušan Ž.; Zarić, Snežana D. [Faculty of Chemistry, University of Belgrade, Studentski trg 12-16, 11058 Belgrade (Serbia); Janković, Ivana A., E-mail: ivanaj@vinca.rs [University of Belgrade, Vinča Institute of Nuclear Sciences, P.O. Box 522, 11001 Belgrade (Serbia)

    2015-05-05

    Highlights: • Formation of the charge-transfer complexes results in a red shift of the TiO{sub 2} absorption. • Extended aromatic ring systems reduce the effective bang gap. • For the CT complexes formed stability constants in the order 10{sup 3} M{sup −1} were determined. • Binding was found to be through bidentate binuclear-bridging complexes. • Ligands interact with different active sites on the TiO{sub 2} surface that express energetic heterogeneity. - Abstract: Sensitization of TiO{sub 2} crystals and nanoparticles with appropriately chosen organic molecules can lead to a significant shift of their absorption threshold from the UV to the visible, thus improving the absorption of the solar spectrum as well as the efficiency of photocatalytic and photovoltaic devices. Herein, the surface modification of nanocrystalline TiO{sub 2} particles (45 Å) with salicylate-type ligands consisting of an extended aromatic ring system, specifically 1-hydroxy-2-naphthoic acid and 1,4-dihydroxy-2-naphthoic acid, was found to alter the optical properties of nanoparticles in a similar way to salicylic acid. From both absorption measurements and steady-state quenching measurements of modifier fluorescence upon binding to TiO{sub 2} in methanol/water = 90/10 solutions, stability constants in the order of 10{sup 3} M{sup −1} have been determined at pH 2. Fluorescence lifetime measurements, in the presence and absence of colloidal TiO{sub 2} nanoparticles, indicated that the fluorescence quenching process is primarily static quenching, thus proving the formation of a nonfluorescent charge-transfer (CT) complex. The binding structures were investigated by using FTIR spectroscopy. Thermal stability of CT-complexes was investigated by using TPD analysis (TG/DTA/MS). Quantum chemical calculations on model systems using density functional theory (DFT) were performed to obtain the vibrational frequencies of charge transfer complexes, and the calculated values were compared

  11. Effect of chromium enriched fermentation product of barley and brewer’s yeast and its combination with rosiglitazone on experimentally induced hyperglycaemia in mice

    Directory of Open Access Journals (Sweden)

    Cekić Vlada

    2011-01-01

    Full Text Available Introduction. In the recent years, herbal preparations have been more used to treat diabetes. Dietetic supplement based on barley and beer yeast enriched with chromium (BBCr is registered in Serbia as a supplement in the treatment of type 2 diabetes. Objective. To investigate the effect of the preparation based on barley and brewer’s yeast with chromium (BBCr, rosiglitazone (R and their combination (BBCr+R on fasting glycaemia and glycaemia in mice after glucose, adrenalin and alloxan application. Methods. The animals were divided into three groups: glucose 500 mg/kg (I; adrenalin 0.2 mg/kg (II; and alloxan 100 mg/kg (III and into subgroups according to the substance they received (BBCr: 750 mg/kg, R: 0.75 mg/kg and BBCr+R. Each animal was its own control in respect of glycaemia before and after the treatment with test substances, except for group III which contained a placebo subgroup. Results. BBCr caused a significant decrease of fasting glycaemia and significant reduction of glycaemia after glucose load compared to the values before treatment (7.4±0.6 mmol/l vs 9.2±0.6 mmol/l; p=0.01. R and BBCr+R significantly decreased glycaemia after adrenalin load (R: 8.6±1.8 mmol/l vs 15.4±3.2 mmol/l; p=0.004; BBCr+R: 9.6±2.4 mmol/l vs 15.0±4.4 mmol/l; p=0.04. After alloxan application the glycaemia was significantly lower in the subgroups treated with BBCr, R and BBCr+R compared to placebo subgroup (10.1±8.0 mmol/l vs 6.8±2.7 mmol/l vs 13.5±9.7 mmol/l vs 24.5±4.7 mmol/l; p=0.001. Conclusion. Pretreatment with BBCr caused a significant reduction of fasting glycaemia and glycaemia after glucose load. Rosiglitazone and BBCr+R caused a significant reduction of glycaemia after adrenalin load. Pretreatment with BBCr, R and BBCr+R prevented the onset of experimental diabetes caused by alloxan, which was confirmed by histological analysis of pancreas tissue.

  12. Similarity indices I: what do they measure

    International Nuclear Information System (INIS)

    Johnston, J.W.

    1976-11-01

    A method for estimating the effects of environmental effusions on ecosystems is described. The characteristics of 25 similarity indices used in studies of ecological communities were investigated. The type of data structure, to which these indices are frequently applied, was described as consisting of vectors of measurements on attributes (species) observed in a set of samples. A general similarity index was characterized as the result of a two-step process defined on a pair of vectors. In the first step an attribute similarity score is obtained for each attribute by comparing the attribute values observed in the pair of vectors. The result is a vector of attribute similarity scores. These are combined in the second step to arrive at the similarity index. The operation in the first step was characterized as a function, g, defined on pairs of attribute values. The second operation was characterized as a function, F, defined on the vector of attribute similarity scores from the first step. Usually, F was a simple sum or weighted sum of the attribute similarity scores. It is concluded that similarity indices should not be used as the test statistic to discriminate between two ecological communities

  13. Measuring transferring similarity via local information

    Science.gov (United States)

    Yin, Likang; Deng, Yong

    2018-05-01

    Recommender systems have developed along with the web science, and how to measure the similarity between users is crucial for processing collaborative filtering recommendation. Many efficient models have been proposed (i.g., the Pearson coefficient) to measure the direct correlation. However, the direct correlation measures are greatly affected by the sparsity of dataset. In other words, the direct correlation measures would present an inauthentic similarity if two users have a very few commonly selected objects. Transferring similarity overcomes this drawback by considering their common neighbors (i.e., the intermediates). Yet, the transferring similarity also has its drawback since it can only provide the interval of similarity. To break the limitations, we propose the Belief Transferring Similarity (BTS) model. The contributions of BTS model are: (1) BTS model addresses the issue of the sparsity of dataset by considering the high-order similarity. (2) BTS model transforms uncertain interval to a certain state based on fuzzy systems theory. (3) BTS model is able to combine the transferring similarity of different intermediates using information fusion method. Finally, we compare BTS models with nine different link prediction methods in nine different networks, and we also illustrate the convergence property and efficiency of the BTS model.

  14. Similarity indices I: what do they measure.

    Energy Technology Data Exchange (ETDEWEB)

    Johnston, J.W.

    1976-11-01

    A method for estimating the effects of environmental effusions on ecosystems is described. The characteristics of 25 similarity indices used in studies of ecological communities were investigated. The type of data structure, to which these indices are frequently applied, was described as consisting of vectors of measurements on attributes (species) observed in a set of samples. A general similarity index was characterized as the result of a two-step process defined on a pair of vectors. In the first step an attribute similarity score is obtained for each attribute by comparing the attribute values observed in the pair of vectors. The result is a vector of attribute similarity scores. These are combined in the second step to arrive at the similarity index. The operation in the first step was characterized as a function, g, defined on pairs of attribute values. The second operation was characterized as a function, F, defined on the vector of attribute similarity scores from the first step. Usually, F was a simple sum or weighted sum of the attribute similarity scores. It is concluded that similarity indices should not be used as the test statistic to discriminate between two ecological communities.

  15. A COMPARISON OF SEMANTIC SIMILARITY MODELS IN EVALUATING CONCEPT SIMILARITY

    Directory of Open Access Journals (Sweden)

    Q. X. Xu

    2012-08-01

    Full Text Available The semantic similarities are important in concept definition, recognition, categorization, interpretation, and integration. Many semantic similarity models have been established to evaluate semantic similarities of objects or/and concepts. To find out the suitability and performance of different models in evaluating concept similarities, we make a comparison of four main types of models in this paper: the geometric model, the feature model, the network model, and the transformational model. Fundamental principles and main characteristics of these models are introduced and compared firstly. Land use and land cover concepts of NLCD92 are employed as examples in the case study. The results demonstrate that correlations between these models are very high for a possible reason that all these models are designed to simulate the similarity judgement of human mind.

  16. Discovering Music Structure via Similarity Fusion

    DEFF Research Database (Denmark)

    for representing music structure is studied in a simplified scenario consisting of 4412 songs and two similarity measures among them. The results suggest that the PLSA model is a useful framework to combine different sources of information, and provides a reasonable space for song representation.......Automatic methods for music navigation and music recommendation exploit the structure in the music to carry out a meaningful exploration of the “song space”. To get a satisfactory performance from such systems, one should incorporate as much information about songs similarity as possible; however...... semantics”, in such a way that all observed similarities can be satisfactorily explained using the latent semantics. Therefore, one can think of these semantics as the real structure in music, in the sense that they can explain the observed similarities among songs. The suitability of the PLSA model...

  17. Discovering Music Structure via Similarity Fusion

    DEFF Research Database (Denmark)

    Arenas-García, Jerónimo; Parrado-Hernandez, Emilio; Meng, Anders

    Automatic methods for music navigation and music recommendation exploit the structure in the music to carry out a meaningful exploration of the “song space”. To get a satisfactory performance from such systems, one should incorporate as much information about songs similarity as possible; however...... semantics”, in such a way that all observed similarities can be satisfactorily explained using the latent semantics. Therefore, one can think of these semantics as the real structure in music, in the sense that they can explain the observed similarities among songs. The suitability of the PLSA model...... for representing music structure is studied in a simplified scenario consisting of 4412 songs and two similarity measures among them. The results suggest that the PLSA model is a useful framework to combine different sources of information, and provides a reasonable space for song representation....

  18. Renewing the Respect for Similarity

    Directory of Open Access Journals (Sweden)

    Shimon eEdelman

    2012-07-01

    Full Text Available In psychology, the concept of similarity has traditionally evoked a mixture of respect, stemmingfrom its ubiquity and intuitive appeal, and concern, due to its dependence on the framing of the problemat hand and on its context. We argue for a renewed focus on similarity as an explanatory concept, bysurveying established results and new developments in the theory and methods of similarity-preservingassociative lookup and dimensionality reduction — critical components of many cognitive functions, aswell as of intelligent data management in computer vision. We focus in particular on the growing familyof algorithms that support associative memory by performing hashing that respects local similarity, andon the uses of similarity in representing structured objects and scenes. Insofar as these similarity-basedideas and methods are useful in cognitive modeling and in AI applications, they should be included inthe core conceptual toolkit of computational neuroscience.

  19. An Experimental Study on Mitigating Alkali Silica Reaction by Using Fly Ash (FA in Combination with Silica Fume and Expanded Perlite Powder (EPP

    Directory of Open Access Journals (Sweden)

    Isneini Mohd

    2016-01-01

    Full Text Available ASR suppression by FA, SF, EPP, FA in combination with SF and EPP were evaluated by both mortar bar and concrete prism test. Mortar bars were made based on JIS A 1146, meanwhile concrete prism bars were casted in accordance with Rilem AAR-3. Both specimens were stored in 40°C 100% R.H. controlled room. Mortar and concrete mixtures used reactive aggregate in pessimum proportion. The results indicated that FA in combination with SF and EPP showed smaller expansion compared to FA. The best of concrete mixtures in reducing expansion is combination of FA with SF (FA15SF10.

  20. Self-similar cosmological models

    Energy Technology Data Exchange (ETDEWEB)

    Chao, W Z [Cambridge Univ. (UK). Dept. of Applied Mathematics and Theoretical Physics

    1981-07-01

    The kinematics and dynamics of self-similar cosmological models are discussed. The degrees of freedom of the solutions of Einstein's equations for different types of models are listed. The relation between kinematic quantities and the classifications of the self-similarity group is examined. All dust local rotational symmetry models have been found.

  1. Self-similar factor approximants

    International Nuclear Information System (INIS)

    Gluzman, S.; Yukalov, V.I.; Sornette, D.

    2003-01-01

    The problem of reconstructing functions from their asymptotic expansions in powers of a small variable is addressed by deriving an improved type of approximants. The derivation is based on the self-similar approximation theory, which presents the passage from one approximant to another as the motion realized by a dynamical system with the property of group self-similarity. The derived approximants, because of their form, are called self-similar factor approximants. These complement the obtained earlier self-similar exponential approximants and self-similar root approximants. The specific feature of self-similar factor approximants is that their control functions, providing convergence of the computational algorithm, are completely defined from the accuracy-through-order conditions. These approximants contain the Pade approximants as a particular case, and in some limit they can be reduced to the self-similar exponential approximants previously introduced by two of us. It is proved that the self-similar factor approximants are able to reproduce exactly a wide class of functions, which include a variety of nonalgebraic functions. For other functions, not pertaining to this exactly reproducible class, the factor approximants provide very accurate approximations, whose accuracy surpasses significantly that of the most accurate Pade approximants. This is illustrated by a number of examples showing the generality and accuracy of the factor approximants even when conventional techniques meet serious difficulties

  2. Dynamic similarity in erosional processes

    Science.gov (United States)

    Scheidegger, A.E.

    1963-01-01

    A study is made of the dynamic similarity conditions obtaining in a variety of erosional processes. The pertinent equations for each type of process are written in dimensionless form; the similarity conditions can then easily be deduced. The processes treated are: raindrop action, slope evolution and river erosion. ?? 1963 Istituto Geofisico Italiano.

  3. Evaluation of the analgesic and anti-inflammatory activity of fixed dose combination: Non-steroidal anti-inflammatory drugs in experimental animals

    Directory of Open Access Journals (Sweden)

    Amit Lahoti

    2014-01-01

    Conclusion: Combining paracetamol with ibuprofen enhances analgesic/anti-inflammatory activity over their individual component but potentiation of analgesic activity of diclofenac was not seen when paracetamol was added to it.

  4. Combined hyperextension and supination of the elbow joint induces lateral ligament lesions. An experimental study of the pathoanatomy and kinematics in elbow ligament injuries

    DEFF Research Database (Denmark)

    Tyrdal, Stein; Olsen, Bo Sanderhoff

    1998-01-01

    An epidemiological study suggested that the injury mechanism of 'handball goalie's elbow' may be hyperextension. The pathomechanics of hyperextension combined with supination was studied in ten macroscopically normal, male, cadaveric elbow joint specimens. The age of the donors was 28.8 years...... rupture of the lateral collateral ligament. The lesions indicate that combined hyperextension and supination represent a possible mechanism leading to 'handball goalie's elbow'....

  5. Personalized recommendation with corrected similarity

    International Nuclear Information System (INIS)

    Zhu, Xuzhen; Tian, Hui; Cai, Shimin

    2014-01-01

    Personalized recommendation has attracted a surge of interdisciplinary research. Especially, similarity-based methods in applications of real recommendation systems have achieved great success. However, the computations of similarities are overestimated or underestimated, in particular because of the defective strategy of unidirectional similarity estimation. In this paper, we solve this drawback by leveraging mutual correction of forward and backward similarity estimations, and propose a new personalized recommendation index, i.e., corrected similarity based inference (CSI). Through extensive experiments on four benchmark datasets, the results show a greater improvement of CSI in comparison with these mainstream baselines. And a detailed analysis is presented to unveil and understand the origin of such difference between CSI and mainstream indices. (paper)

  6. Effect of Acarbose, Sitagliptin and combination therapy on blood glucose, insulin, and incretin hormone concentrations in experimentally induced postprandial hyperglycemia of healthy cats.

    Science.gov (United States)

    Mori, Akihiro; Ueda, Kaori; Lee, Peter; Oda, Hitomi; Ishioka, Katsumi; Arai, Toshiro; Sako, Toshinori

    2016-06-01

    Acarbose (AC) and Sitagliptin (STGP) are oral hypoglycemic agents currently used either alone or in conjunction with human diabetic (Type 2) patients. AC has been used with diabetic cats, but not STGP thus far. Therefore, the objective of this study was to determine the potential use of AC or STGP alone and in combination for diabetic cats, by observing their effect on short-term post-prandial serum glucose, insulin, and incretin hormone (active glucagon-like peptide-1 (GLP-1) and total glucose dependent insulinotropic polypeptide (GIP)) concentrations in five healthy cats, following ingestion of a meal with maltose. All treatments tended (pglucose area under the curve (AUC), with an accompanying significant reduction (pAUC as compared to no treatment. Meanwhile, a significant increase (pAUC was observed with STGP (100% higher) and combined treatment (130% greater), as compared to either AC or no treatment. Lastly, a significant reduction (pAUC was observed with STGP (21% reduction) and combined treatment (7% reduction) as compared to control. Overall, AC, STGP, or combined treatment can significantly induce positive post-prandial changes to insulin and incretin hormone levels of healthy cats. Increasing active GLP-1 and reducing postprandial hyperglycemia appear to be the principal mechanisms of combined treatment. Considering the different, but complementary mechanisms of action by which AC and STGP induce lower glucose and insulin levels, combination therapy with both these agents offers great potential for treating diabetic cats in the future. Copyright © 2016 Elsevier Ltd. All rights reserved.

  7. Improved personalized recommendation based on a similarity network

    Science.gov (United States)

    Wang, Ximeng; Liu, Yun; Xiong, Fei

    2016-08-01

    A recommender system helps individual users find the preferred items rapidly and has attracted extensive attention in recent years. Many successful recommendation algorithms are designed on bipartite networks, such as network-based inference or heat conduction. However, most of these algorithms define the resource-allocation methods for an average allocation. That is not reasonable because average allocation cannot indicate the user choice preference and the influence between users which leads to a series of non-personalized recommendation results. We propose a personalized recommendation approach that combines the similarity function and bipartite network to generate a similarity network that improves the resource-allocation process. Our model introduces user influence into the recommender system and states that the user influence can make the resource-allocation process more reasonable. We use four different metrics to evaluate our algorithms for three benchmark data sets. Experimental results show that the improved recommendation on a similarity network can obtain better accuracy and diversity than some competing approaches.

  8. Color-Based Image Retrieval from High-Similarity Image Databases

    DEFF Research Database (Denmark)

    Hansen, Michael Adsetts Edberg; Carstensen, Jens Michael

    2003-01-01

    Many image classification problems can fruitfully be thought of as image retrieval in a "high similarity image database" (HSID) characterized by being tuned towards a specific application and having a high degree of visual similarity between entries that should be distinguished. We introduce...... a method for HSID retrieval using a similarity measure based on a linear combination of Jeffreys-Matusita (JM) distances between distributions of color (and color derivatives) estimated from a set of automatically extracted image regions. The weight coefficients are estimated based on optimal retrieval...... performance. Experimental results on the difficult task of visually identifying clones of fungal colonies grown in a petri dish and categorization of pelts show a high retrieval accuracy of the method when combined with standardized sample preparation and image acquisition....

  9. Vaccination with Clostridium perfringens recombinant proteins in combination with Montanide™ ISA 71 VG adjuvant increases protection against experimental necrotic enteritis in commercial broiler chickens

    Science.gov (United States)

    This study was performed to compare four Clostridium perfringens recombinant proteins as vaccine candidates using the Montanide™ ISA 71 VG adjuvant in an experimental model of necrotic enteritis. Broiler chickens were immunized with clostridial recombinant proteins with ISA 71 VG, and intestinal le...

  10. A combined experimental and finite element approach to analyse the fretting mechanism of the head-stem taper junction in total hip replacement

    NARCIS (Netherlands)

    Bitter, T.; Khan, I.; Marriott, T.; Lovelady, E.; Verdonschot, N.J.; Janssen, D.W.

    2017-01-01

    Fretting corrosion at the taper interface of modular hip implants has been implicated as a possible cause of implant failure. This study was set up to gain more insight in the taper mechanics that lead to fretting corrosion. The objectives of this study therefore were (1) to select experimental

  11. Combined experimental and numerical kinetic characterization of NR vulcanized with sulphur, N terbutyl, 2 benzothiazylsulphenamide and N,N diphenyl guanidine

    Energy Technology Data Exchange (ETDEWEB)

    Milani, G., E-mail: gabriele.milani@polimi.it [Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan (Italy); Hanel, T.; Donetti, R. [Pirelli Tyre, Via Alberto e Piero Pirelli 25, 20126 Milan (Italy); Milani, F. [Chem. Co, Via J.F.Kennedy 2, 45030 Occhiobello (Italy)

    2016-06-08

    The paper presents the final results of a comprehensive experimental and numerical analysis aimed at deeply investigating the behavior of Natural Rubber (NR) vulcanized with sulphur in presence of different accelerators during standard rheometer tests. NR in presence of sulphur and two different accelerators (DPG and TBBS) in various concentrations is investigated, changing the curing temperature in the range 150-180°C and obtaining rheometer curves with a step of 10°C. Sulphur-TBBS concentrations considered are 1-1, 1-3, 3-3 and 3-1, with DPG at 1-4 phr respectively. A total of 48 experimental rheometer curves is so obtained. To fit experimental data, the general reaction scheme proposed by Han and co-workers for vulcanized sulphur NR is re-adapted and suitably modified taking into account the single contributions of the different accelerators. Chain reactions initiated by the formation of macro-compounds responsible for the formation of the unmatured crosslinked polymer are accounted for. In presence of two accelerators, reactions are assumed to proceed in parallel, making the practically effective hypothesis that there is no interaction between the two accelerators. From the simplified kinetic scheme adopted, a closed form solution is found for the crosslink density, with the only limitation that the induction period is excluded from computations. For each experimented case on the same blend, reaction kinetic constants provided by the model are utilized to deduce their trend in the Arrhenius space, also outside the temperature range inspected. Rather close linearity is found in the majority of the cases. A comparative analysis is carefully conducted among the constants at the different concentrations of S, TBBS and DPG investigated, allowing a prediction of curing behavior at any vulcanization temperature and with concentrations not experimentally tested, without the need of addition costly experimentation.

  12. Combined experimental and numerical kinetic characterization of NR vulcanized with sulphur, N terbutyl, 2 benzothiazylsulphenamide and N,N diphenyl guanidine

    International Nuclear Information System (INIS)

    Milani, G.; Hanel, T.; Donetti, R.; Milani, F.

    2016-01-01

    The paper presents the final results of a comprehensive experimental and numerical analysis aimed at deeply investigating the behavior of Natural Rubber (NR) vulcanized with sulphur in presence of different accelerators during standard rheometer tests. NR in presence of sulphur and two different accelerators (DPG and TBBS) in various concentrations is investigated, changing the curing temperature in the range 150-180°C and obtaining rheometer curves with a step of 10°C. Sulphur-TBBS concentrations considered are 1-1, 1-3, 3-3 and 3-1, with DPG at 1-4 phr respectively. A total of 48 experimental rheometer curves is so obtained. To fit experimental data, the general reaction scheme proposed by Han and co-workers for vulcanized sulphur NR is re-adapted and suitably modified taking into account the single contributions of the different accelerators. Chain reactions initiated by the formation of macro-compounds responsible for the formation of the unmatured crosslinked polymer are accounted for. In presence of two accelerators, reactions are assumed to proceed in parallel, making the practically effective hypothesis that there is no interaction between the two accelerators. From the simplified kinetic scheme adopted, a closed form solution is found for the crosslink density, with the only limitation that the induction period is excluded from computations. For each experimented case on the same blend, reaction kinetic constants provided by the model are utilized to deduce their trend in the Arrhenius space, also outside the temperature range inspected. Rather close linearity is found in the majority of the cases. A comparative analysis is carefully conducted among the constants at the different concentrations of S, TBBS and DPG investigated, allowing a prediction of curing behavior at any vulcanization temperature and with concentrations not experimentally tested, without the need of addition costly experimentation.

  13. Experimental article – Reducing effective dose to a paediatric phantom by using different combinations of kVp, mAs and additional filtration whilst maintaining image quality

    NARCIS (Netherlands)

    Huizinga, Elsbeth; Schaake, Wouter; Visser, Ruurd; Bloomfield, Charlotte; Boavida, Filipa; Chabloz, Diane; Crausaz, Emilie; Hustveit, Hanne; Knight, Heidi; Pereira, Anna; Harsaker, Vanja

    2015-01-01

    Purpose: To determine whether using different combinations of kVp and mAs with additional filtration can reduce the effective dose to a paediatric phantom whilst maintaining diagnostic image quality. Methods: 27 images of a paediatric AP pelvis phantom were acquired with different kVp, mAs and

  14. In vivo and in vitro experimental study on cervix cancer with combination of HSV-TK/GCV suicide gene therapy system and 60Co radiotherapy

    International Nuclear Information System (INIS)

    Chen Daozhen; Xue Wenqun; Zhan Huiying; Zhu Yunxia; Yang Youyi; Liu Lu; Tang Qiusha

    2006-01-01

    Objective: To evaluate the killing effect of HSV-TK/GCV suicide gene therapy system combined with 60 Co radiotherapy on human cervical cancer HeLa cell line in vivo and in vitro, and to explore radiosensitization by the HSV-TK/GCV system. Methods: The HSV-TK/GCV suicide gene therapy system and 60 Co radiotherapy were used separately or in combination for human cervical cancer HeLa cell line in vivo and in vitro to compare their effects. Colony formation test and the rate of radiosensitization effect(E/O) were employed to observed the radiosensitization by the HSV-TK/GCV system. Results: The HSV-TK/GCV suicide gene therapy system showed strong therapeutic effects on HeLa cells both in vitro and in vivo (the inhibition rates were 45.8% and 39.5%, respectively). Moreover, the combined application of gene therapy and radiotherapy exhibited stronger therapeutic effects in vitro and in vivo (the inhibition rate was 87.5% in vitro, and was 87.9% in vivo) (P 1.4), indicating the HSV-TK/GCV system could exert a sensitizing effect on 60 Co radiotherapy of the transplanted human cervical cancer cells in nude mice. Conclusion: The HSV-TK/GCV system has radiosensitizationaction. Gene therapy combined with radiotherapy may be a good supplementary method for synthetic treatment of cervical cancer. (authors)

  15. Experimental article – Reducing effective dose to a paediatric phantom by using different combinations of kVp, mAs and additional filtration whilst maintaining image quality

    NARCIS (Netherlands)

    Elsbeth Huizinga; Ana Pereira; Wouter Schaake; Charlotte Bloomfield; Heidi Knight; Emilie Crausaz; Hanne Hustveit; Ruurd Visser; Vanja Harsaker; Diane Chabloz; Filipa Boavida

    2015-01-01

    Purpose: To determine whether using different combinations of kVp and mAs with additional filtration can reduce the effective dose to a paediatric phantom whilst maintaining diagnostic image quality. Methods: 27 images of a paediatric AP pelvis phantom were acquired with different kVp, mAs

  16. Domain similarity based orthology detection.

    Science.gov (United States)

    Bitard-Feildel, Tristan; Kemena, Carsten; Greenwood, Jenny M; Bornberg-Bauer, Erich

    2015-05-13

    Orthologous protein detection software mostly uses pairwise comparisons of amino-acid sequences to assert whether two proteins are orthologous or not. Accordingly, when the number of sequences for comparison increases, the number of comparisons to compute grows in a quadratic order. A current challenge of bioinformatic research, especially when taking into account the increasing number of sequenced organisms available, is to make this ever-growing number of comparisons computationally feasible in a reasonable amount of time. We propose to speed up the detection of orthologous proteins by using strings of domains to characterize the proteins. We present two new protein similarity measures, a cosine and a maximal weight matching score based on domain content similarity, and new software, named porthoDom. The qualities of the cosine and the maximal weight matching similarity measures are compared against curated datasets. The measures show that domain content similarities are able to correctly group proteins into their families. Accordingly, the cosine similarity measure is used inside porthoDom, the wrapper developed for proteinortho. porthoDom makes use of domain content similarity measures to group proteins together before searching for orthologs. By using domains instead of amino acid sequences, the reduction of the search space decreases the computational complexity of an all-against-all sequence comparison. We demonstrate that representing and comparing proteins as strings of discrete domains, i.e. as a concatenation of their unique identifiers, allows a drastic simplification of search space. porthoDom has the advantage of speeding up orthology detection while maintaining a degree of accuracy similar to proteinortho. The implementation of porthoDom is released using python and C++ languages and is available under the GNU GPL licence 3 at http://www.bornberglab.org/pages/porthoda .

  17. Protein-protein interaction inference based on semantic similarity of Gene Ontology terms.

    Science.gov (United States)

    Zhang, Shu-Bo; Tang, Qiang-Rong

    2016-07-21

    Identifying protein-protein interactions is important in molecular biology. Experimental methods to this issue have their limitations, and computational approaches have attracted more and more attentions from the biological community. The semantic similarity derived from the Gene Ontology (GO) annotation has been regarded as one of the most powerful indicators for protein interaction. However, conventional methods based on GO similarity fail to take advantage of the specificity of GO terms in the ontology graph. We proposed a GO-based method to predict protein-protein interaction by integrating different kinds of similarity measures derived from the intrinsic structure of GO graph. We extended five existing methods to derive the semantic similarity measures from the descending part of two GO terms in the GO graph, then adopted a feature integration strategy to combines both the ascending and the descending similarity scores derived from the three sub-ontologies to construct various kinds of features to characterize each protein pair. Support vector machines (SVM) were employed as discriminate classifiers, and five-fold cross validation experiments were conducted on both human and yeast protein-protein interaction datasets to evaluate the performance of different kinds of integrated features, the experimental results suggest the best performance of the feature that combines information from both the ascending and the descending parts of the three ontologies. Our method is appealing for effective prediction of protein-protein interaction. Copyright © 2016 Elsevier Ltd. All rights reserved.

  18. An experimental study on cervix cancer with combination of HSV-TK/GCV suicide gene therapy system and 60Co radiotherapy

    International Nuclear Information System (INIS)

    Chen, Daozhen; Tang, Qiusha

    2010-01-01

    To evaluate the killing effect of HSV-TK/GCV suicide gene therapy system combined with 60 Co radiotherapy on human cervical cancer Hela cell line in vitro and in vivo, and to explore the radiosensitization by HSV-TK/GCV system. HSV-TK/GCV suicide gene therapy system and 60 Co radiotherapy were used separately or in combination on human cervical cancer Hela cell line in vitro and in vivo to compare their effects. Colony formation test and the rate of radiosensitization effect (E/O) were employed to observed the radiosensitization by HSV-TK/GCV system. HSV-TK/GCV suicide gene therapy system had strong therapeutic effects on Hela cells in vitro and in vivo (the inhibition rates were 45.8% and 39.5%, respectively), moreover, the combined administration of gene therapy and radiotherapy had stronger therapeutic effects in vitro and in vivo (the inhibition rate was 87.5% in vitro, and the inhibition rate was 87.9% in vivo) (P < 0.01). The inhibition rate by radiotherapy alone was 42.4% in vitro and 35.8% in vivo. The sensitivity of combined therapy to radiotherapy increased more than that of therapy alone, the ability of colony formation decreased (P < 0.01). The rate of radiosensitivity effect (E/O) was 3.17(> 1.4), indicating HSV-TK/GCV system could exert a sensitizing effect on 60 Co radiotherapy of the transplanted human cervical cancer cell in nude mice. HSV-TK/GCV system had radiosensitization. Gene therapy combined with radiotherapy may be a good supplementary method for cervix cancer synthetic treatment

  19. [Similarity system theory to evaluate similarity of chromatographic fingerprints of traditional Chinese medicine].

    Science.gov (United States)

    Liu, Yongsuo; Meng, Qinghua; Jiang, Shumin; Hu, Yuzhu

    2005-03-01

    The similarity evaluation of the fingerprints is one of the most important problems in the quality control of the traditional Chinese medicine (TCM). Similarity measures used to evaluate the similarity of the common peaks in the chromatogram of TCM have been discussed. Comparative studies were carried out among correlation coefficient, cosine of the angle and an improved extent similarity method using simulated data and experimental data. Correlation coefficient and cosine of the angle are not sensitive to the differences of the data set. They are still not sensitive to the differences of the data even after normalization. According to the similarity system theory, an improved extent similarity method was proposed. The improved extent similarity is more sensitive to the differences of the data sets than correlation coefficient and cosine of the angle. And the character of the data sets needs not to be changed compared with log-transformation. The improved extent similarity can be used to evaluate the similarity of the chromatographic fingerprints of TCM.

  20. Efficacy of Tigecycline Alone and in Combination with Gentamicin in the Treatment of Experimental Endocarditis Due to Linezolid-Resistant Enterococcus faecium

    OpenAIRE

    Pontikis, Konstantinos; Pefanis, Angelos; Tsaganos, Thomas; Tzepi, Ira-Maria; Carrer, Dionyssia-Pinelopi; Giamarellou, Helen

    2013-01-01

    We evaluated the efficacy of tigecycline in a rabbit model of experimental endocarditis caused by a linezolid-resistant clinical strain of Enterococcus faecium. Tigecycline-treated animals had a 2.8-log10-CFU/g reduction in microbial counts in excised vegetations compared with controls. Addition of gentamicin caused a further arithmetical reduction in colony counts. The therapeutic effect was sustained 5 days after completion of treatment, as shown by relapse studies performed in treatment gr...

  1. Efficacy of tigecycline alone and in combination with gentamicin in the treatment of experimental endocarditis due to linezolid-resistant Enterococcus faecium.

    Science.gov (United States)

    Pontikis, Konstantinos; Pefanis, Angelos; Tsaganos, Thomas; Tzepi, Ira-Maria; Carrer, Dionyssia-Pinelopi; Giamarellou, Helen

    2013-07-01

    We evaluated the efficacy of tigecycline in a rabbit model of experimental endocarditis caused by a linezolid-resistant clinical strain of Enterococcus faecium. Tigecycline-treated animals had a 2.8-log10-CFU/g reduction in microbial counts in excised vegetations compared with controls. Addition of gentamicin caused a further arithmetical reduction in colony counts. The therapeutic effect was sustained 5 days after completion of treatment, as shown by relapse studies performed in treatment groups.

  2. Optimization of high pressure machine decocting process for Dachengqi Tang using HPLC fingerprints combined with the Box–Behnken experimental design

    OpenAIRE

    Xie, Rui-Fang; Shi, Zhi-Na; Li, Zhi-Cheng; Chen, Pei-Pei; Li, Yi-Min; Zhou, Xin

    2014-01-01

    Using Dachengqi Tang (DCQT) as a model, high performance liquid chromatography (HPLC) fingerprints were applied to optimize machine extracting process with the Box–Behnken experimental design. HPLC fingerprints were carried out to investigate the chemical ingredients of DCQT; synthetic weighing method based on analytic hierarchy process (AHP) and criteria importance through intercriteria correlation (CRITIC) was performed to calculate synthetic scores of fingerprints; using the mark ingredien...

  3. A combined experimental and DFT study of a novel unsymmetrical azine 2-(4-methoxybenzylidene)-1-(1-(4-isobutylphenyl) ethylidene) hydrazine

    Science.gov (United States)

    Vijaya, P.; Sankaran, K. R.

    2015-03-01

    A novel unsymmetrical azine 2-(4-methoxybenzylidene)-1-(1-(4-isobutylphenyl) ethylidene) hydrazine (UA) was prepared and characterized by IR, 1H and 13C NMR spectral studies. A 2D - potential energy scan (PES) of p-isobutylacetophenone (IBAP) was the portal to the conformational analysis of UA by density functional theory (DFT) methods using 6-31G(d,p) basis set by Gaussian 03 program. The theoretical IR frequencies were found to be in good agreement with the experimental values. The IR frequencies of UA were analyzed by means of Potential energy Distribution (PED %) calculation using Vibrational Energy Distribution Analysis (VEDA 4) program. The experimental NMR chemical shift values of UA were compared with the theoretical values obtained by DFT method. Nonlinear optical behavior of the unsymmetrical azine is also examined by the theoretically predicted values of dipole moment (μ), polarizability (α0) and first hyperpolarizability (βtot). Stability of the UA molecule has been analyzed using NBO analysis. The electrochemistry of UA studied experimentally by cyclic voltammetry is complemented by the computational analysis of the anionic form of the molecule UA. The determination of various global and local reactivity descriptors in the context of chemical reactivity is also performed and the electrophilicity at the vital atomic sites in UA is revealed. Bader's Atoms in molecules (AIM) theory of UA indicated the presence of intramolecular hydrogen bonding in the molecule. The molecular electrostatic potential (MEP) and HOMO-LUMO orbital analysis are also performed for the molecule UA.

  4. Optimization of photocatalytic degradation of methyl blue using silver ion doped titanium dioxide by combination of experimental design and response surface approach.

    Science.gov (United States)

    Sahoo, C; Gupta, A K

    2012-05-15

    Photocatalytic degradation of methyl blue (MYB) was studied using Ag(+) doped TiO(2) under UV irradiation in a batch reactor. Catalytic dose, initial concentration of dye and pH of the reaction mixture were found to influence the degradation process most. The degradation was found to be effective in the range catalytic dose (0.5-1.5g/L), initial dye concentration (25-100ppm) and pH of reaction mixture (5-9). Using the three factors three levels Box-Behnken design of experiment technique 15 sets of experiments were designed considering the effective ranges of the influential parameters. The results of the experiments were fitted to two quadratic polynomial models developed using response surface methodology (RSM), representing functional relationship between the decolorization and mineralization of MYB and the experimental parameters. Design Expert software version 8.0.6.1 was used to optimize the effects of the experimental parameters on the responses. The optimum values of the parameters were dose of Ag(+) doped TiO(2) 0.99g/L, initial concentration of MYB 57.68ppm and pH of reaction mixture 7.76. Under the optimal condition the predicted decolorization and mineralization rate of MYB were 95.97% and 80.33%, respectively. Regression analysis with R(2) values >0.99 showed goodness of fit of the experimental results with predicted values. Copyright © 2012 Elsevier B.V. All rights reserved.

  5. Determining the mechanical constitutive properties of metals as a function of strain rate and temperature: A combined experimental and modeling approach

    Energy Technology Data Exchange (ETDEWEB)

    I. M. Robertson; A. Beaudoin; J. Lambros

    2004-01-05

    OAK-135 Development and validation of constitutive models for polycrystalline materials subjected to high strain rate loading over a range of temperatures are needed to predict the response of engineering materials to in-service type conditions (foreign object damage, high-strain rate forging, high-speed sheet forming, deformation behavior during forming, response to extreme conditions, etc.). To account accurately for the complex effects that can occur during extreme and variable loading conditions, requires significant and detailed computational and modeling efforts. These efforts must be closely coupled with precise and targeted experimental measurements that not only verify the predictions of the models, but also provide input about the fundamental processes responsible for the macroscopic response. Achieving this coupling between modeling and experimentation is the guiding principle of this program. Specifically, this program seeks to bridge the length scale between discrete dislocation interactions with grain boundaries and continuum models for polycrystalline plasticity. Achieving this goal requires incorporating these complex dislocation-interface interactions into the well-defined behavior of single crystals. Despite the widespread study of metal plasticity, this aspect is not well understood for simple loading conditions, let alone extreme ones. Our experimental approach includes determining the high-strain rate response as a function of strain and temperature with post-mortem characterization of the microstructure, quasi-static testing of pre-deformed material, and direct observation of the dislocation behavior during reloading by using the in situ transmission electron microscope deformation technique. These experiments will provide the basis for development and validation of physically-based constitutive models, which will include dislocation-grain boundary interactions for polycrystalline systems. One aspect of the program will involve the dire ct

  6. Similarity measures for face recognition

    CERN Document Server

    Vezzetti, Enrico

    2015-01-01

    Face recognition has several applications, including security, such as (authentication and identification of device users and criminal suspects), and in medicine (corrective surgery and diagnosis). Facial recognition programs rely on algorithms that can compare and compute the similarity between two sets of images. This eBook explains some of the similarity measures used in facial recognition systems in a single volume. Readers will learn about various measures including Minkowski distances, Mahalanobis distances, Hansdorff distances, cosine-based distances, among other methods. The book also summarizes errors that may occur in face recognition methods. Computer scientists "facing face" and looking to select and test different methods of computing similarities will benefit from this book. The book is also useful tool for students undertaking computer vision courses.

  7. Radionuclide kinetics and biological effects from strontium-89 and cerium-144 at combined inocculation with the phosphorganic pesticide ''Agria-1060'' (Fazolon) in experimental animals

    International Nuclear Information System (INIS)

    Peyankov, I.Ya.

    1985-01-01

    Kinetics of 89 strontium and 144 cerium in the rat were studied for the case of single intake of either radionuclide combined with an organophosphorus pesticide, Agria-1060, and for chronic intake of 89 strontium with the same pesticide. After treatments involving minimal effective activities and concentrations, some hematological parameters were monitored, as well as biochemical (SGOT, SGPT, serum cholinesterase) and phagocytic activity of neutrophils. Unfavorable changes in RBC counts were attributable to the chemical factor, while those in WBC counts resulted from radiation exposure. Serum cholinesterase activity underwent shifts distinctly showing a phasic pattern and related in the main to the chemical agent. SGOT and SGPT activities were more markedly affected by 144 cerium combined with pesticide than by sole agent treatments. Phagocytic index response was observed to change according to radionuclide organotropism. As for chronic treatments, neutrophil phagocytic activity proved most susceptible, suggesting occurrence of changes in the immune system under such exposure conditions

  8. [Experimental study of brain lesions after combined coaxial exposure to high-peaked pulse wave form CO2 and Nd: YAG lasers on the brain].

    Science.gov (United States)

    Tsuyumu, M; Verasques, G; Yamazaki, S; Kuroiwa, T; Suzuki, R; Takei, H; Suzuki, K; Inaba, Y

    1985-04-01

    The CO2 laser is useful for cutting and vaporization but not for coagulation and hemostasis. On the contrary, YAG laser is effective for coagulation and hemostasis but not for cutting. The purpose of this study is to examine the effect of the exposure of combined, coaxial CO2 and YAG laser on the animal brain to supplement the advantages and draw-backs of each other. To compare these results, each of non-combined pulse wave form CO2 and YAG lasers was employed separately. The lasers in this study were pulse wave form CO2 and YAG lasers, employed separately or simultaneously using 130 YZ of Nihon Infrared Industries Company. Japanese white rabbits were anesthetized with pentobarbital. Fronto-parietal burr holes were made, the dura was removed and then Evans blue solution was injected intravenously. The lasers were employed to the cerebral cortex without great vessels using a micromanipulator attached to the operative microscope with a distance of 30 cm. The spot size was 700 mu for CO2 laser and 1200 mu for YAG laser. The first experiment was to see the effect of nine combinations of simultaneous coaxial CO2 of 2, 4 and 8 watts and YAG lasers of 10, 20 and 40 watts, 1 sec on the brain. In the second experiment, also combining two lasers, the exposure time of YAG laser was elongated from 1 or 2 seconds into 2 or 4 seconds and the arrangement of powers was the same as that of the first experiment. The lesions were thus made in 18 different conditions.(ABSTRACT TRUNCATED AT 250 WORDS)

  9. [The combined action of drinking mineral water and low-intensity electromagnetic radiation under the immobilization stress conditions (an experimental study)].

    Science.gov (United States)

    Korolev, Yu N; Bobrovnitsky, I P; Geniatulina, M S; Mikhailik, L V; Nikulina, L A; Bobkova, A S; Yakovlev, M Yu

    2015-01-01

    The present study carried out on white male rats in experiments with the use of biochemical, radioimmunological, and electron- microscopic methods. It was shown that the combined treatment with potable mineral water (MV) and low-intensity electromagnetic radiation (LIEMR) of ultrahigh frequency (power density less than 1 pW/cm2, the frequency about 1000 MHz) facilitated the activation of metabolic and intracellular regenerative processes in the liver and testes. One of the advantages of the combined application of MV and LIEMR over the single-factor treatment manifested itself as the weakening of stress reactions, the increase in the frequency of the plastic processes, and the more harmonious development of different forms of intracellular regeneration. The results of the study provide a deeper insight ino the mechanisms underlying the combined actions of drinking mineral water and low-intensity electromagnetic radiation; also, they justify the application of these factors for the protection of the reproductive system and the entire body from stress-induced disorders.

  10. The valence and Rydberg states of difluoromethane: A combined experimental vacuum ultraviolet spectrum absorption and theoretical study by ab initio configuration interaction and density functional computations

    Science.gov (United States)

    Palmer, Michael H.; Vrønning Hoffmann, Søren; Jones, Nykola C.; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare

    2018-06-01

    The vacuum ultraviolet (VUV) spectrum for CH2F2 from a new synchrotron study has been combined with earlier data and subjected to detailed scrutiny. The onset of absorption, band I and also band IV, is resolved into broad vibrational peaks, which contrast with the continuous absorption previously claimed. A new theoretical analysis, using a combination of time dependent density functional theory (TDDFT) calculations and complete active space self-consistent field, leads to a major new interpretation. Adiabatic excitation energies (AEEs) and vertical excitation energies, evaluated by these methods, are used to interpret the spectra in unprecedented detail using theoretical vibronic analysis. This includes both Franck-Condon (FC) and Herzberg-Teller (HT) effects on cold and hot bands. These results lead to the re-assignment of several known excited states and the identification of new ones. The lowest calculated AEE sequence for singlet states is 11B1 ˜ 11A2 expected; the onset of the 15.5 eV band shows a set of vibrational peaks, but the vibration frequency does not correspond to any of the photoelectron spectral (PES) structure and is clearly valence in nature. The routine use of PES footprints to detect Rydberg states in VUV spectra is shown to be inadequate. The combined effects of FC and HT in the VUV spectral bands lead to additional vibrations when compared with the PES.

  11. Summation of subthreshold impulses in case of separate and combined effects of cadmium and immobilization stress, considering typology of behavior of experimental animals

    Directory of Open Access Journals (Sweden)

    Fedorenko Yu.V.

    2015-06-01

    Full Text Available The aim of the work was to study dynamics of changes of summation-threshold index under the combined impact of cadmium and immobilization of animals depending on the typological characteristics of animal behavior. The studies were conducted on white rats, previously divided into groups of active and passive ones by terms of "horizontal activity" in the test "open field". In each group the experiments were planned according to the scheme of orthogonal design 22. Summation-threshold index was studied by Speransky S.V. method. It was found that the summation-threshold index increases on the day 10 of experiments under the action of a cadmium only in groups of "active" and "passive" animals; this testifies to inhibition processes in the CNS. The effect of cadmium, immobilization and their combined action on day 30 of experiments leads to the reduction in the of studying parameter in both groups of animals; this testifies to excitation of the CNS. The active animals are more susceptible to immobilization stress, the passive ones - to the action of cadmium. The combined action of stress factors on day 10 is characterized by desensitization, on day 30 – by unidirectional interdependent action and less than by additive effect. The processes of inhibition and excitation in the central nervous system depend on type of animal behavior, type and duration of exposure to the stress factor. The results may be taken into account when assessing adaptation process, correction, and adaptation depending on the type of behavior.

  12. The combined effects of a long-term experimental drought and an extreme drought on the use of plant-water sources in a Mediterranean forest.

    Science.gov (United States)

    Barbeta, Adrià; Mejía-Chang, Monica; Ogaya, Romà; Voltas, Jordi; Dawson, Todd E; Peñuelas, Josep

    2015-03-01

    Vegetation in water-limited ecosystems relies strongly on access to deep water reserves to withstand dry periods. Most of these ecosystems have shallow soils over deep groundwater reserves. Understanding the functioning and functional plasticity of species-specific root systems and the patterns of or differences in the use of water sources under more frequent or intense droughts is therefore necessary to properly predict the responses of seasonally dry ecosystems to future climate. We used stable isotopes to investigate the seasonal patterns of water uptake by a sclerophyll forest on sloped terrain with shallow soils. We assessed the effect of a long-term experimental drought (12 years) and the added impact of an extreme natural drought that produced widespread tree mortality and crown defoliation. The dominant species, Quercus ilex, Arbutus unedo and Phillyrea latifolia, all have dimorphic root systems enabling them to access different water sources in space and time. The plants extracted water mainly from the soil in the cold and wet seasons but increased their use of groundwater during the summer drought. Interestingly, the plants subjected to the long-term experimental drought shifted water uptake toward deeper (10-35 cm) soil layers during the wet season and reduced groundwater uptake in summer, indicating plasticity in the functional distribution of fine roots that dampened the effect of our experimental drought over the long term. An extreme drought in 2011, however, further reduced the contribution of deep soil layers and groundwater to transpiration, which resulted in greater crown defoliation in the drought-affected plants. This study suggests that extreme droughts aggravate moderate but persistent drier conditions (simulated by our manipulation) and may lead to the depletion of water from groundwater reservoirs and weathered bedrock, threatening the preservation of these Mediterranean ecosystems in their current structures and compositions. © 2014

  13. Climatic and basin factors affecting the flood frequency curve: PART II – A full sensitivity analysis based on the continuous simulation approach combined with a factorial experimental design

    Directory of Open Access Journals (Sweden)

    M. Franchini

    2000-01-01

    Full Text Available The sensitivity analysis described in Hashemi et al. (2000 is based on one-at-a-time perturbations to the model parameters. This type of analysis cannot highlight the presence of parameter interactions which might indeed affect the characteristics of the flood frequency curve (ffc even more than the individual parameters. For this reason, the effects of the parameters of the rainfall, rainfall runoff models and of the potential evapotranspiration demand on the ffc are investigated here through an analysis of the results obtained from a factorial experimental design, where all the parameters are allowed to vary simultaneously. This latter, more complex, analysis confirms the results obtained in Hashemi et al. (2000 thus making the conclusions drawn there of wider validity and not related strictly to the reference set selected. However, it is shown that two-factor interactions are present not only between different pairs of parameters of an individual model, but also between pairs of parameters of different models, such as rainfall and rainfall-runoff models, thus demonstrating the complex interaction between climate and basin characteristics affecting the ffc and in particular its curvature. Furthermore, the wider range of climatic regime behaviour produced within the factorial experimental design shows that the probability distribution of soil moisture content at the storm arrival time is no longer sufficient to explain the link between the perturbations to the parameters and their effects on the ffc, as was suggested in Hashemi et al. (2000. Other factors have to be considered, such as the probability distribution of the soil moisture capacity, and the rainfall regime, expressed through the annual maximum rainfalls over different durations. Keywords: Monte Carlo simulation; factorial experimental design; analysis of variance (ANOVA

  14. Optimization of photocatalytic degradation of methyl blue using silver ion doped titanium dioxide by combination of experimental design and response surface approach

    Energy Technology Data Exchange (ETDEWEB)

    Sahoo, C. [Environmental Engineering Division, Department of Civil Engineering, Indian Institute of Technology, Kharagpur, 721302 (India); Gupta, A.K., E-mail: agupta@civil.iitkgp.ernet.in [Environmental Engineering Division, Department of Civil Engineering, Indian Institute of Technology, Kharagpur, 721302 (India)

    2012-05-15

    Highlights: Black-Right-Pointing-Pointer Optimization of color removal and COD removal done by response surface approach. Black-Right-Pointing-Pointer The experiments were designed using Box-Behnken spherical design. Black-Right-Pointing-Pointer Two quadratic polynomial models were developed for the responses. Black-Right-Pointing-Pointer Single point numerical optimization was done considering three constraints. Black-Right-Pointing-Pointer Validation by performing the experiment under optimized conditions. - Abstract: Photocatalytic degradation of methyl blue (MYB) was studied using Ag{sup +} doped TiO{sub 2} under UV irradiation in a batch reactor. Catalytic dose, initial concentration of dye and pH of the reaction mixture were found to influence the degradation process most. The degradation was found to be effective in the range catalytic dose (0.5-1.5 g/L), initial dye concentration (25-100 ppm) and pH of reaction mixture (5-9). Using the three factors three levels Box-Behnken design of experiment technique 15 sets of experiments were designed considering the effective ranges of the influential parameters. The results of the experiments were fitted to two quadratic polynomial models developed using response surface methodology (RSM), representing functional relationship between the decolorization and mineralization of MYB and the experimental parameters. Design Expert software version 8.0.6.1 was used to optimize the effects of the experimental parameters on the responses. The optimum values of the parameters were dose of Ag{sup +} doped TiO{sub 2} 0.99 g/L, initial concentration of MYB 57.68 ppm and pH of reaction mixture 7.76. Under the optimal condition the predicted decolorization and mineralization rate of MYB were 95.97% and 80.33%, respectively. Regression analysis with R{sup 2} values >0.99 showed goodness of fit of the experimental results with predicted values.

  15. Optimization of photocatalytic degradation of methyl blue using silver ion doped titanium dioxide by combination of experimental design and response surface approach

    International Nuclear Information System (INIS)

    Sahoo, C.; Gupta, A.K.

    2012-01-01

    Highlights: ► Optimization of color removal and COD removal done by response surface approach. ► The experiments were designed using Box–Behnken spherical design. ► Two quadratic polynomial models were developed for the responses. ► Single point numerical optimization was done considering three constraints. ► Validation by performing the experiment under optimized conditions. - Abstract: Photocatalytic degradation of methyl blue (MYB) was studied using Ag + doped TiO 2 under UV irradiation in a batch reactor. Catalytic dose, initial concentration of dye and pH of the reaction mixture were found to influence the degradation process most. The degradation was found to be effective in the range catalytic dose (0.5–1.5 g/L), initial dye concentration (25–100 ppm) and pH of reaction mixture (5–9). Using the three factors three levels Box–Behnken design of experiment technique 15 sets of experiments were designed considering the effective ranges of the influential parameters. The results of the experiments were fitted to two quadratic polynomial models developed using response surface methodology (RSM), representing functional relationship between the decolorization and mineralization of MYB and the experimental parameters. Design Expert software version 8.0.6.1 was used to optimize the effects of the experimental parameters on the responses. The optimum values of the parameters were dose of Ag + doped TiO 2 0.99 g/L, initial concentration of MYB 57.68 ppm and pH of reaction mixture 7.76. Under the optimal condition the predicted decolorization and mineralization rate of MYB were 95.97% and 80.33%, respectively. Regression analysis with R 2 values >0.99 showed goodness of fit of the experimental results with predicted values.

  16. Revisiting Inter-Genre Similarity

    DEFF Research Database (Denmark)

    Sturm, Bob L.; Gouyon, Fabien

    2013-01-01

    We revisit the idea of ``inter-genre similarity'' (IGS) for machine learning in general, and music genre recognition in particular. We show analytically that the probability of error for IGS is higher than naive Bayes classification with zero-one loss (NB). We show empirically that IGS does...... not perform well, even for data that satisfies all its assumptions....

  17. Fast business process similarity search

    NARCIS (Netherlands)

    Yan, Z.; Dijkman, R.M.; Grefen, P.W.P.J.

    2012-01-01

    Nowadays, it is common for organizations to maintain collections of hundreds or even thousands of business processes. Techniques exist to search through such a collection, for business process models that are similar to a given query model. However, those techniques compare the query model to each

  18. Glove boxes and similar containments

    International Nuclear Information System (INIS)

    Anon.

    1975-01-01

    According to the present invention a glove box or similar containment is provided with an exhaust system including a vortex amplifier venting into the system, the vortex amplifier also having its main inlet in fluid flow connection with the containment and a control inlet in fluid flow connection with the atmosphere outside the containment. (U.S.)

  19. A Combined Experimental and Finite Element Analysis Method for the Estimation of Eddy-Current Loss in NdFeB Magnets

    Directory of Open Access Journals (Sweden)

    Radu Fratila

    2014-05-01

    Full Text Available NdFeB permanent magnets (PMs are widely used in high performance electrical machines, but their relatively high conductivity subjects them to eddy current losses that can lead to magnetization loss. The Finite Element (FE method is generally used to quantify the eddy current loss of PMs, but it remains quite difficult to validate the accuracy of the results with complex devices. In this paper, an experimental test device is used in order to extract the eddy current losses that are then compared with those of a 3D FE model.

  20. A combined experimental and finite element analysis method for the estimation of eddy-current loss in NdFeB magnets.

    Science.gov (United States)

    Fratila, Radu; Benabou, Abdelkader; Tounzi, Abdelmounaïm; Mipo, Jean-Claude

    2014-05-14

    NdFeB permanent magnets (PMs) are widely used in high performance electrical machines, but their relatively high conductivity subjects them to eddy current losses that can lead to magnetization loss. The Finite Element (FE) method is generally used to quantify the eddy current loss of PMs, but it remains quite difficult to validate the accuracy of the results with complex devices. In this paper, an experimental test device is used in order to extract the eddy current losses that are then compared with those of a 3D FE model.

  1. Solid oxide fuel cell short stack performance testing - Part A: Experimental analysis and μ-combined heat and power unit comparison

    Science.gov (United States)

    Mastropasqua, L.; Campanari, S.; Brouwer, J.

    2017-12-01

    The need to experimentally understand the detailed performance of SOFC stacks under operating conditions typical of commercial SOFC systems has prompted this two-part study. The steady state performance of a 6-cell short stack of yttria (Y2O3) stabilised zirconia (YSZ) with Ni/YSZ anodes and composite Sr-doped lanthanum manganite (LaMnO3, LSM)/YSZ cathodes is experimentally evaluated. In Part A, the stack characterisation is carried out by means of sensitivity analyses on the fuel utilisation factor and the steam-to-carbon ratio. Electrical and environmental performances are assessed and the results are compared with a commercial full-scale micro-CHP system, which comprises the same cells. The results show that the measured temperature dynamics of the short stack in a test stand environment are on the order of many minutes; therefore, one cannot neglect temperature dynamics for a precise measurement of the steady state polarisation behaviour. The overall polarisation performance is comparable to that of the full stack employed in the micro-CHP system, confirming the good representation that short-stack analyses can give of the entire SOFC module. The environmental performance is measured verifying the negligible values of NO emissions (<10 ppb) across the whole polarisation curve.

  2. Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2,6-difluoropyridine: A combined experimental and theoretical assessment

    Energy Technology Data Exchange (ETDEWEB)

    Baiardi, Alberto; Mendolicchio, Marco; Barone, Vincenzo, E-mail: vincenzo.barone@sns.it [Scuola Normale Superiore, Piazza dei Cavalieri 7, 56125 Pisa (Italy); Fronzoni, Giovanna; Cardenas Jimenez, Gustavo Adolfo; Stener, Mauro; Grazioli, Cesare [Dipartimento di Scienze Chimiche e Farmaceutiche, Universita’ di Trieste, Via Giorgieri 1, 34127 Trieste (Italy); Simone, Monica de [CNR-IOM, Laboratorio TASC, Area Science Park Basovizza, 34149 Trieste (Italy); Coreno, Marcello [CNR-ISM, UOS Trieste, Area Science Park Basovizza, 34149 Trieste (Italy)

    2015-11-28

    In the present work, the near edge X-ray absorption spectroscopy (NEXAFS) spectra at both C and N K-edges of pyridine, 2-fluoropyridine, and 2,6-difluoropyridine have been studied both experimentally and theoretically. From an electronic point of view, both transition potential density functional theory and time-dependent density functional theory approaches lead to reliable results provided that suitable basis sets and density functionals are employed. In this connection, the global hybrid B3LYP functional in conjunction with the EPR-III basis set appears particularly suitable after constant scaling of the band positions. For the N K-edge, vertical energies obtained at these levels and broadened by symmetric Gaussian distributions provide spectra in reasonable agreement with the experiment. Vibronic contributions further modulate the band-shapes leading to a better agreement with the experimental results, but are not strictly necessary for semi-quantitative investigations. On the other hand, vibronic contributions are responsible for strong intensity redistribution in the NEXAFS C K-edge spectra, and their inclusion is thus mandatory for a proper description of experiments. In this connection, the simple vertical gradient model is particularly appealing in view of its sufficient reliability and low computational cost. For more quantitative results, the more refined vertical Hessian approach can be employed, and its effectiveness has been improved thanks to a new least-squares fitting approach.

  3. NR sulphur vulcanization: Interaction study between TBBS and DPG by means of a combined experimental rheometer and meta-model best fitting strategy

    Energy Technology Data Exchange (ETDEWEB)

    Milani, G., E-mail: gabriele.milani@polimi.it [Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan (Italy); Hanel, T.; Donetti, R. [Pirelli Tyre, Via Alberto e Piero Pirelli 25, 20126 Milan (Italy); Milani, F. [Chem. Co, Via J.F. Kennedy 2, 45030 Occhiobello (Italy)

    2016-06-08

    The paper is aimed at studying the possible interaction between two different accelerators (DPG and TBBS) in the chemical kinetic of Natural Rubber (NR) vulcanized with sulphur. The same blend with several DPG and TBBS concentrations is deeply analyzed from an experimental point of view, varying the curing temperature in the range 150-180°C and obtaining rheometer curves with a step of 10°C. In order to study any possible interaction between the two accelerators –and eventually evaluating its engineering relevance-rheometer data are normalized by means of the well known Sun and Isayev normalization approach and two output parameters are assumed as meaningful to have an insight into the possible interaction, namely time at maximum torque and reversion percentage. Two different numerical meta-models, which belong to the family of the so-called response surfaces RS are compared. The first is linear against TBBS and DPG and therefore well reproduces no interaction between the accelerators, whereas the latter is a non-linear RS with bilinear term. Both RS are deduced from standard best fitting of experimental data available. It is found that, generally, there is a sort of interaction between TBBS and DPG, but that the error introduced making use of a linear model (no interaction) is generally lower than 10%, i.e. fully acceptable from an engineering standpoint.

  4. Evidence for excited-state intramolecular proton transfer in 4-chlorosalicylic acid from combined experimental and computational studies: Quantum chemical treatment of the intramolecular hydrogen bonding interaction

    Energy Technology Data Exchange (ETDEWEB)

    Paul, Bijan Kumar [Department of Chemistry, University of Calcutta, 92 Acharya Prafulla Chandra Road, Calcutta 700009 (India); Guchhait, Nikhil, E-mail: nikhil.guchhait@rediffmail.com [Department of Chemistry, University of Calcutta, 92 Acharya Prafulla Chandra Road, Calcutta 700009 (India)

    2012-07-25

    Highlights: Black-Right-Pointing-Pointer Experimental and computational studies on the photophysics of 4-chlorosalicylic acid. Black-Right-Pointing-Pointer Spectroscopically established ESIPT reaction substantiated by theoretical calculation. Black-Right-Pointing-Pointer Quantum chemical treatment of IMHB unveils strength, nature and directional nature. Black-Right-Pointing-Pointer Superiority of quantum chemical treatment of H-bond over geometric criteria. Black-Right-Pointing-Pointer Role of H-bond as a modulator of aromaticity. -- Abstract: The photophysical study of a pharmaceutically important chlorine substituted derivative of salicylic acid viz., 4-chlorosalicylic acid (4ClSA) has been carried out by steady-state absorption, emission and time-resolved emission spectroscopy. A large Stokes shifted emission band with negligible solvent polarity dependence marks the spectroscopic signature of excited-state intramolecular proton transfer (ESIPT) reaction in 4ClSA. Theoretical calculation by ab initio and Density Functional Theory methods yields results consistent with experimental findings. Theoretical potential energy surfaces predict the occurrence of proton transfer in S{sub 1}-state. Geometrical and energetic criteria, Atoms-In-Molecule topological parameters, Natural Bond Orbital population analysis have been exploited to evaluate the intramolecular hydrogen bond (IMHB) interaction and to explore its directional nature. The inter-correlation between aromaticity and resonance assisted H-bond is also discussed in this context. Our results unveil that the quantum chemical treatment is a more accurate tool to assess hydrogen bonding interaction in comparison to geometrical criteria.

  5. Accurate experimental determination of the isotope effects on the triple point temperature of water. II. Combined dependence on the 18O and 17O abundances

    Science.gov (United States)

    Faghihi, V.; Kozicki, M.; Aerts-Bijma, A. T.; Jansen, H. G.; Spriensma, J. J.; Peruzzi, A.; Meijer, H. A. J.

    2015-12-01

    This paper is the second of two articles on the quantification of isotope effects on the triple point temperature of water. In this second article, we address the combined effects of 18O and 17O isotopes. We manufactured five triple point cells with waters with 18O and 17O abundances exceeding widely the natural abundance range while maintaining their natural 18O/17O relationship. The 2H isotopic abundance was kept close to that of VSMOW (Vienna Standard Mean Ocean Water). These cells realized triple point temperatures ranging between  -220 μK to 1420 μK with respect to the temperature realized by a triple point cell filled with VSMOW. Our experiment allowed us to determine an accurate and reliable value for the newly defined combined 18, 17O correction parameter of AO  =  630 μK with a combined uncertainty of 10 μK. To apply this correction, only the 18O abundance of the TPW needs to be known (and the water needs to be of natural origin). Using the results of our two articles, we recommend a correction equation along with the coefficient values for isotopic compositions differing from that of VSMOW and compare the effect of this new equation on a number of triple point cells from the literature and from our own institute. Using our correction equation, the uncertainty in the isotope correction for triple point cell waters used around the world will be  <1 μK.

  6. Experimental study on the effects of recombinant adenoviral-mediated mI{kappa}B{alpha} gene combined with irradiation on the treatment of hepatocarcinoma

    Energy Technology Data Exchange (ETDEWEB)

    Kejun, Zhang; Dechun, Li; Dongming, Zhu [The First Affiliated Hospital to Suzhou Univ., Suzhou (China); Caixia, Song

    2007-10-15

    Objective: To explore the effect of recombinant adenovirus vector mediated mutant I{kappa}B{alpha} (mI{kappa}B{alpha}) combined with radiation on the hepatocarcinoma. Methods: Limited dilution method was used to test the virus titer in 293 cells. The HCC9204 cells were infected with MOI 10,20,30 and 50 for 48 h, respectively. The expression of p65 and mI{kappa}B{alpha} protein was analyzed by Western blot. Transfected HCC9204 cells and controls were treated with 4 Gy {gamma} rays. The inhibition rate of HCC9204 cells was examined by MTT. Rat models of HCC9204 was constructed. AdmI{kappa}B{alpha} plasmids were injected into tumor tissue and the tumors were administered with 6 Gy {gamma} irradiation 48 hours later. Tumor growth at different time points was recorded during 28 days. Results: The titer of AdmI{kappa}B{alpha} is 1.252 x 10{sup 9} pfu/ml. The expression of mI{kappa}B{alpha} protein was increased with titer of AdmI{kappa}B{alpha}, and p65 protein began to decrease when MOI was 10, and reached the lowest when MOI was 50, they were all dose-dependent. The proliferation of HCC9204 cell lines were suppressed, as was more significant combined with radiation, and the effect was in a viral dose-dependent manner. From days 7 to 28 after AdmI{kappa}B{alpha} gene and radiotherapy, the tumor growth was significantly slower than after irradiation or gene therapy alone. Conclusions: Recombinant adenoviral-mediated mI{kappa}B{alpha} gene, combined with irradiation, can increase the cell-killing effect. It is better than that of either one alone. (authors)

  7. Experimental study on the effects of recombinant adenoviral-mediated mIκBα gene combined with irradiation on the treatment of hepatocarcinoma

    International Nuclear Information System (INIS)

    Zhang Kejun; Li Dechun; Zhu Dongming; Song Caixia

    2007-01-01

    Objective: To explore the effect of recombinant adenovirus vector mediated mutant IκBα (mIκBα) combined with radiation on the hepatocarcinoma. Methods: Limited dilution method was used to test the virus titer in 293 cells. The HCC9204 cells were infected with MOI 10,20,30 and 50 for 48 h, respectively. The expression of p65 and mIκBα protein was analyzed by Western blot. Transfected HCC9204 cells and controls were treated with 4 Gy γ rays. The inhibition rate of HCC9204 cells was examined by MTT. Rat models of HCC9204 was constructed. AdmIκBα plasmids were injected into tumor tissue and the tumors were administered with 6 Gy γ irradiation 48 hours later. Tumor growth at different time points was recorded during 28 days. Results: The titer of AdmIκBΑ is 1.252 x 10 9 pfu/ml. The expression of mIκBα protein was increased with titer of AdmIκBα, and p65 protein began to decrease when MOI was 10, and reached the lowest when MOI was 50, they were all dose-dependent. The proliferation of HCC9204 cell lines were suppressed, as was more significant combined with radiation, and the effect was in a viral dose-dependent manner. From days 7 to 28 after AdmIκBα gene and radiotherapy, the tumor growth was significantly slower than after irradiation or gene therapy alone. Conclusions: Recombinant adenoviral-mediated mIκBα gene, combined with irradiation, can increase the cell-killing effect. It is better than that of either one alone. (authors)

  8. EFFICACY OF REMAXOL AND ADEMETHIONINE IN EXPERIMENTAL LIVER DAMAGE CAUSED BY A COMBINATION OF RESERVE-SERIES ANTITUBERCULOSIS DRUGS AND ALCOHOL

    Directory of Open Access Journals (Sweden)

    D. S. Sukhanov

    2014-01-01

    Full Text Available The hepatic and endothelial protective effects of remaxol and S-adenosyl-L-methionine were studied on 24 male rats with liver damage caused by reserve-series antituberculosis drugs in combination with alcohol. The test agents were found to have a unilateral hepatoprotective effect in decreasing the blood levels of triglycerides, bilirubin, and alkaline phosphatase with a concurrent significant reduction in the manifestations of hyaline-drop and hydropic dystrophy of hepatocytes. Remaxol and ademethionine have the same endothelial protective activity manifested as normalization of an endothelium-dependent vasodilation response and endothelial dysfunction coefficient.

  9. Classification of protein fold classes by knot theory and prediction of folds by neural networks: A combined theoretical and experimental approach

    DEFF Research Database (Denmark)

    Ramnarayan, K.; Bohr, Henrik; Jalkanen, Karl J.

    2008-01-01

    We present different means of classifying protein structure. One is made rigorous by mathematical knot invariants that coincide reasonably well with ordinary graphical fold classification and another classification is by packing analysis. Furthermore when constructing our mathematical fold...... classifications, we utilize standard neural network methods for predicting protein fold classes from amino acid sequences. We also make an analysis of the redundancy of the structural classifications in relation to function and ligand binding. Finally we advocate the use of combining the measurement of the VA...

  10. Large margin classification with indefinite similarities

    KAUST Repository

    Alabdulmohsin, Ibrahim

    2016-01-07

    Classification with indefinite similarities has attracted attention in the machine learning community. This is partly due to the fact that many similarity functions that arise in practice are not symmetric positive semidefinite, i.e. the Mercer condition is not satisfied, or the Mercer condition is difficult to verify. Examples of such indefinite similarities in machine learning applications are ample including, for instance, the BLAST similarity score between protein sequences, human-judged similarities between concepts and words, and the tangent distance or the shape matching distance in computer vision. Nevertheless, previous works on classification with indefinite similarities are not fully satisfactory. They have either introduced sources of inconsistency in handling past and future examples using kernel approximation, settled for local-minimum solutions using non-convex optimization, or produced non-sparse solutions by learning in Krein spaces. Despite the large volume of research devoted to this subject lately, we demonstrate in this paper how an old idea, namely the 1-norm support vector machine (SVM) proposed more than 15 years ago, has several advantages over more recent work. In particular, the 1-norm SVM method is conceptually simpler, which makes it easier to implement and maintain. It is competitive, if not superior to, all other methods in terms of predictive accuracy. Moreover, it produces solutions that are often sparser than more recent methods by several orders of magnitude. In addition, we provide various theoretical justifications by relating 1-norm SVM to well-established learning algorithms such as neural networks, SVM, and nearest neighbor classifiers. Finally, we conduct a thorough experimental evaluation, which reveals that the evidence in favor of 1-norm SVM is statistically significant.

  11. An Alfven eigenmode similarity experiment

    International Nuclear Information System (INIS)

    Heidbrink, W W; Fredrickson, E; Gorelenkov, N N; Hyatt, A W; Kramer, G; Luo, Y

    2003-01-01

    The major radius dependence of Alfven mode stability is studied by creating plasmas with similar minor radius, shape, magnetic field (0.5 T), density (n e ≅3x10 19 m -3 ), electron temperature (1.0 keV) and beam ion population (near-tangential 80 keV deuterium injection) on both NSTX and DIII-D. The major radius of NSTX is half the major radius of DIII-D. The super-Alfvenic beam ions that drive the modes have overlapping values of v f /v A in the two devices. Observed beam-driven instabilities include toroidicity-induced Alfven eigenmodes (TAE). The stability threshold for the TAE is similar in the two devices. As expected theoretically, the most unstable toroidal mode number n is larger in DIII-D

  12. Experimental study of the effect of cisplatin combined with indomethacin and its derivatives for the treatment of lewis lung carcinoma with '18FDG-PET/CT

    International Nuclear Information System (INIS)

    Gao Jidong; Zhang Caixia; Lu Guoxiu; Xu Weina; Yu Shupeng

    2013-01-01

    Background: Non-steroidal anti-inflammatory drug Indomethacin have been used in the treatment of fever, pain, inflammation and rheumatic disease. In recent years, some researches have confirmed that Indomethacin have the ability of assistant therapy on many kinds of malignant tumors, such as colon cancer; gastric cancer and lung cancer: Purpose: To evaluate the effect of Cisplatin combined with Indomethacin and Histamine-Indomethacin to Lewis lung cancer. Methods: 40 male Kunming mice were used to establish Lewis lung cancer model. They were randomly divided into four groups: Cisplatin treatment group, Cisplatin+Indomethacin treatment group, Cisplatin+Histamine-Indomethacin treatment group and control group. Each mouse was given the PET/CT imaging and taken orbital blood for 0.2 mL before and after the treatment. Histological detection was given. Results: Ratio of targets were significantly different after the treatment, especially in Cisplatin+Histamine-Indomethacin treatment group. Each group TNF-α levels were increased after treatment and the Cisplatin+Histamine-Indomethacin treatment group was the most obvious. There was no obvious difference in tumor inhibiting rates. Conclusions: The results showed that Cisplatin combined with Histamine-Indomethacin could inhibit tumor growth and promote apoptosis of tumor cells better. The changes of the ratio of targets could reflect the effect of the chemotherapy drugs earlier. (authors)

  13. Compressional Alfven Eigenmode Similarity Study

    Science.gov (United States)

    Heidbrink, W. W.; Fredrickson, E. D.; Gorelenkov, N. N.; Rhodes, T. L.

    2004-11-01

    NSTX and DIII-D are nearly ideal for Alfven eigenmode (AE) similarity experiments, having similar neutral beams, fast-ion to Alfven speed v_f/v_A, fast-ion pressure, and shape of the plasma, but with a factor of 2 difference in the major radius. Toroidicity-induced AE with ˜100 kHz frequencies were compared in an earlier study [1]; this paper focuses on higher frequency AE with f ˜ 1 MHz. Compressional AE (CAE) on NSTX have a polarization, dependence on the fast-ion distribution function, frequency scaling, and low-frequency limit that are qualitatively consistent with CAE theory [2]. Global AE (GAE) are also observed. On DIII-D, coherent modes in this frequency range are observed during low-field (0.6 T) similarity experiments. Experiments will compare the CAE stability limits on DIII-D with the NSTX stability limits, with the aim of determining if CAE will be excited by alphas in a reactor. Predicted differences in the frequency splitting Δ f between excited modes will also be used. \\vspace0.25em [1] W.W. Heidbrink, et al., Plasmas Phys. Control. Fusion 45, 983 (2003). [2] E.D. Fredrickson, et al., Princeton Plasma Physics Laboratory Report PPPL-3955 (2004).

  14. The Effect of a Combination of Diclofenac and Methadone Applied as Gel in a Human Experimental Pain Model- A Randomized, Placebo-Controlled Trial

    DEFF Research Database (Denmark)

    Larsen, Isabelle M; Drewes, Asbjørn M; Olesen, Anne E

    2018-01-01

    should be low. We hypothesized that anti-allodynic and anti-hyperalgesic effects of Diclometh could be demonstrated in a human experimental pain model, and that Diclometh would be safe to administer. Thus, the aims were: 1) To compare two doses of Diclometh versus placebo; 2) To assess the safety profile...... of Diclometh. The study was a cross-over, randomized, double-blind, placebo-controlled comparison of two doses of Diclometh gel (0.1% and 0.2%) administered topically in healthy participants. Nerve growth factor (NGF) and capsaicin intradermal injections were used as human pain models. Pressure stimulation...... of anti-allodynic effect of Diclometh 0.2% was found. Additionally, it was demonstrated that Diclometh was safe to use. This article is protected by copyright. All rights reserved....

  15. 1H NMR spectra of N-methyl-4-tolyl-1-(4-bromonaphthylamine and N-phenyl-1-(4-bromonaphthylamine: a combined experimental and theoretical study

    Directory of Open Access Journals (Sweden)

    Sergiy I. Okovytyy

    2014-03-01

    Full Text Available Theoretical investigations of the conformational properties and 1H NMR chemical shifts for N-methyl-4-tolyl-1-(4-bromonaphthylamine and N-phenyl-1-(4-bromonaphthylamine are reported. The calculations were performed at the DFT level (PBE1PBE functional using magnetically consistent 6-31G## and STO##-3Gmag basis sets. Conformational properties of the amines were studied using potential energy surface scanning. Chemical shifts were calculated using the GIAO and CSGT methods and averaged in proportion to the population of the corresponding conformations. Solvent effects (CDCl3 were accounted via PCM method. The obtained results allowed to assign the 1H NMR signals for the naphthalene moiety, which could not be done based on the experimental data alone.

  16. NHC-Ag/Pd-Catalyzed Reductive Carboxylation of Terminal Alkynes with CO2 and H2 : A Combined Experimental and Computational Study for Fine-Tuned Selectivity.

    Science.gov (United States)

    Yu, Dingyi; Zhou, Feng; Lim, Diane S W; Su, Haibin; Zhang, Yugen

    2017-03-09

    Reductive carboxylation of terminal alkynes utilizing CO 2 and H 2 as reactants is an interesting and challenging transformation. Theoretical calculations indicated it would be kinetically possible to obtain cinnamic acid, the reductive carboxylation product, from phenylacetylene in a CO 2 /H 2 system with an N-heterocyclic carbene (NHC)-supported Ag/Pd bimetallic catalysts through competitive carboxylation/hydrogenation cascade reactions in one step. These calculations were verified experimentally with a poly-NHC-supported Ag/Pd catalyst. By tuning the catalyst composition and reaction temperature, phenylacetylene was selectively converted to cinnamic acid, hydrocinnamic acid, or phenylpropiolic acid in excellent yields. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Correlating electronic structure with corrosion inhibition potentiality of some bis-benzimidazole derivatives for mild steel in hydrochloric acid: Combined experimental and theoretical studies

    International Nuclear Information System (INIS)

    Dutta, Alokdut; Saha, Sourav Kr.; Banerjee, Priyabrata; Sukul, Dipankar

    2015-01-01

    Highlights: • Bis-benzimidazole derivatives as good corrosion inhibitors for mild steel in acid. • Simultaneous both way electron-transfer is expected to occur during adsorption. • Role of molecular conformation on inhibition efficiency is demonstrated. • Good correlation between inhibition efficiency and molecular parameters established. • MD simulation results support experimental observations. - Abstract: Four different bis-benzimidazole (BBI) derivatives, tested as potential corrosion inhibitors for mild steel in 1 M HCl, have revealed good inhibition efficiency for long period of exposure. Inhibitors impart high resistance towards charge transfer across metal–electrolyte interface and behave broadly as mixed type. DFT calculations are used to correlate inhibition potentiality with intrinsic molecular parameters. From the optimized geometry of BBI derivatives, electron distribution in HOMO and LUMO and Fukui indices of each atom, possible modes of interaction of BBI derivatives with mild steel surface have been predicted. Energy corresponding to inhibitor-metal surface interaction is evaluated following molecular dynamics simulation

  18. In vivo studies on the experimental tumour sarcoma 180 in order to determine the therapeutic efficiency of gamma and neutron irradiation combined with hyperthermia and misonidazole

    International Nuclear Information System (INIS)

    Weber, H.J.

    1982-01-01

    The influence of hyperthermia and/or Misonidazole on the therapeutic effect of gamma and neutron irradiation was investigated for the solid experimental tumour Sarcoma 180 in NMRI mice. Apart from the common biological parameters (tumour volume, growth retardation, tumour regression), also cellular effects and cell metabolism were studied in vivo by I-UdR lavelling without disturbing the tumour/host interaction. Sequential double labelling with 125 I-UdR and 131 I-UdR before treatment and measurement of rates of activity loss afterwards yielded information on cell metabolism and therapeutic efficiency. The influence of different therapies on the proliferation activity was assessed by injection of 125 I-UdR at different times after treatment, followed by measurements of the incorporation rate. The diagnostic value of the methods of measurement and the possibility of transferring the findings of animal experiments to clinical practice were investigated. (orig./MG) [de

  19. Influence of Secondary Interactions on the Structure, Sublimation Thermodynamics, and Solubility of Salicylate:4-Hydroxybenzamide Cocrystals. Combined Experimental and Theoretical Study.

    Science.gov (United States)

    Manin, Alex N; Voronin, Alexander P; Shishkina, Anastasia V; Vener, Mikhail V; Churakov, Andrei V; Perlovich, German L

    2015-08-20

    Cocrystal screening of 4-hydroxybenzamide with a number of salicylates (salicylic acid, SA; 4-aminosalicylic acid, PASA; acetylsalicylic acid, ASA; and salicylsalicylic acid, SSA) was conducted to confirm the formation of two cocrystals, [SA+4-OHBZA] (1:1) and [PASA+4-OHBZA] (1:1). Their structures were determined using single-crystal X-ray diffraction, and the hydrogen-bond network topology was studied. Thermodynamic characteristics of salicylic acid cocrystal sublimation were obtained experimentally. It was proved that PASA cocrystallization with 4-OHBZA makes the drug more stable and prevents the irreversible process of decarboxylation of PASA resulting in formation of toxic 3-aminophenol. The pattern of non-covalent interactions in the cocrystals is described quantitatively using solid-state density functional theory followed by Bader analysis of the periodic electron density. It has been found that the total energy of secondary interactions between synthon atoms and the side hydroxyl group of the acid molecule in [SA+4-OHBZA] (1:1) and [PASA+4-OHBZA] (1:1) cocrystals is comparable to the energy of the primary acid-amide heterosynthon. The theoretical value of the sublimation enthalpy of [SA+4-OHBZA], 231 kJ/mol, agrees fairly well with the experimental one, 272 kJ/mol. The dissolution experiments with [SA+4-OHBZA] have proved that the relatively large cocrystal stability in relation to the stability of its components has a negative effect on the dissolution rate and equilibrium solubility. The [PASA+4-OHBZA] (1:1) cocrystal showed an enhancement of apparent solubility compared to that of the corresponding pure active pharmaceutical ingredient, while their intrinsic dissolution rates are comparable.

  20. Combined meso-scale modeling and experimental investigation of the effect of mechanical damage on the transport properties of cementitious composites

    Science.gov (United States)

    Raghavan, Balaji; Niknezhad, Davood; Bernard, Fabrice; Kamali-Bernard, Siham

    2016-09-01

    The transport properties of cementitious composites such as concrete are important indicators of their durability, and are known to be heavily influenced by mechanical loading. In the current work, we use meso-scale hygro-mechanical modeling with a morphological 3D two phase mortar-aggregate model, in conjunction with experimentally obtained properties, to investigate the coupling between mechanical loading and damage and the permeability of the composite. The increase in permeability of a cylindrical test specimen at 28% aggregate fraction during a uniaxial displacement-controlled compression test at 85% of the peak load was measured using a gas permeameter. The mortar's mechanical behavior is assumed to follow the well-known compression damaged plasticity (CDP) model with isotropic damage, at varying thresholds, and obtained from different envelope curves. The damaged intrinsic permeability of the mortar evolves according to a logarithmic matching law with progressive loading. We fit the matching law parameters to the experimental result for the test specimen by inverse identification using our meso-scale model. We then subject a series of virtual composite specimens to quasi-static uniaxial compressive loading with varying boundary conditions to obtain the simulated damage and strain evolutions, and use the damage data and the previously identified parameters to determine the evolution of the macroscopic permeability tensor for the specimens, using a network model. We conduct a full parameter study by varying aggregate volume fraction, granulometric distribution, loading/boundary conditions and "matching law" parameters, as well as for different strain-damage thresholds and uniaxial loading envelope curves. Based on this study, we propose Avrami equation-based upper and lower bounds for the evolution of the damaged permeability of the composite.

  1. Molecular structure investigation of neutral, dimer and anion forms of 3,4-pyridinedicarboxylic acid: a combined experimental and theoretical study.

    Science.gov (United States)

    Karabacak, Mehmet; Bilgili, Sibel; Atac, Ahmet

    2015-01-25

    In this study, the structural and vibrational analysis of 3,4-pyridinedicarboxylic acid (3,4-PDCA) are presented using experimental techniques as FT-IR, FT-Raman, NMR, UV and quantum chemical calculations. FT-IR and FT-Raman spectra of 3,4-pyridinedicarboxylic acid in the solid phase are recorded in the region 4000-400 cm(-1) and 4000-50 cm(-1), respectively. The geometrical parameters and energies of all different and possible monomer, dimer, anion(-1) and anion(-2) conformers of 3,4-PDCA are obtained from Density Functional Theory (DFT) with B3LYP/6-311++G(d,p) basis set. There are sixteen conformers (C1C16) for this molecule (neutral form). The most stable conformer of 3,4-PDCA is the C1 conformer. The complete assignments are performed on the basis of the total energy distribution (TED) of the vibrational modes calculated with scaled quantum mechanics (SQM) method. (1)H and (13)C NMR spectra are recorded and the chemical shifts are calculated by using DFT/B3LYP methods with 6-311++G(d,p) basis set. The UV absorption spectrum of the studied compound is recorded in the range of 200-400 nm by dissolved in ethanol. The optimized geometric parameters were compared with experimental data via the X-ray results derived from complexes of this molecule. In addition these, molecular electrostatic potential (MEP), thermodynamic and electronic properties, HOMO-LUMO energies and Mulliken atomic charges, are performed. Copyright © 2014 Elsevier B.V. All rights reserved.

  2. A comparative study of key properties of glycine glycinium picrate (GGP and glycinium picrate (GP: A combined experimental and quantum chemical approach

    Directory of Open Access Journals (Sweden)

    Mohd. Shkir

    2018-03-01

    Full Text Available Using experimental and computational techniques, a comparative study of electro-optical properties for glycine glycinium picrate (GGP and glycinium picrate (GP compounds has been performed. The single crystal of GGP has been grown using slow evaporation technique that was further subjected to experimental characterization of its electro-optical properties. The good optical transparency and mechanical strength at micro level was confirmed from optical and nanoindentation measurements using the Oliver–Pharr method of the grown single crystals. Differential scanning calorimetric (DSC analysis was done to probe the thermal stability of the grown single crystals. Using the density functional theory (DFT methods, we have not only investigated the GGP but also proposed GP molecule. Additionally, we have shed light on the molecular geometries, infrared and Raman spectra, linear and nonlinear optical properties of both GGP and GP at molecular level. The time dependent DFT (TD-DFT approach was adopted to calculate the excitation energies of the molecules in different phases including gas, water, acetone, cyclohexane and chloroform as well. For GGP, its wavelength of maximum absorption is calculated to be ∼390 nm at B3LYP/6-31G∗ level of theory. The calculated amplitudes of first hyperpolarizability (βtot for GGP and GP are found to be 712 and 970 a. u., respectively, which are about 16 and 23 times larger than that of the urea molecule (a prototype NLO molecule. Thus the present study not only brings to limelight the optical and nonlinear optical properties of GGP but also sheds light on the possible potential of GP as new NLO molecule.

  3. Monocyte galactose/N-acetylgalactosamine-specific C-type lectin receptor stimulant immunotherapy of an experimental glioma. Part II: combination with external radiation improves survival

    Directory of Open Access Journals (Sweden)

    Kushchayev SV

    2012-09-01

    Full Text Available Sergiy V Kushchayev,1 Tejas Sankar,1 Laura L Eggink,5,6 Yevgeniya S Kushchayeva,5 Philip C Wiener,1,5 J Kenneth Hoober,5,6 Jennifer Eschbacher,3 Ruolan Liu,2 Fu-Dong Shi,2 Mohammed G Abdelwahab,4 Adrienne C Scheck,4 Mark C Preul11Neurosurgery Research Laboratory, 2Neuroimmunology Laboratory, 3Department of Pathology, 4Neurooncology Research, Barrow Neurological Institute, St Joseph's Hospital and Medical Center, Phoenix, 5School of Life Sciences, Arizona State University, Tempe, 6Susavion Biosciences, Inc, Tempe, AZ, USABackground: A peptide mimetic of a ligand for the galactose/N-acetylgalactosamine-specific C-type lectin receptors (GCLR exhibited monocyte-stimulating activity, but did not extend survival when applied alone against a syngeneic murine malignant glioma. In this study, the combined effect of GCLRP with radiation was investigated.Methods: C57BL/6 mice underwent stereotactic intracranial implantation of GL261 glioma cells. Animals were grouped based on randomized tumor size by magnetic resonance imaging on day seven. One group that received cranial radiation (4 Gy on days seven and nine only were compared with animals treated with radiation and GCLRP (4 Gy on days seven and nine combined with subcutaneous injection of 1 nmol/g on alternative days beginning on day seven. Magnetic resonance imaging was used to assess tumor growth and correlated with survival rate. Blood and brain tissues were analyzed with regard to tumor and contralateral hemisphere using fluorescence-activated cell sorting analysis, histology, and enzyme-linked immunosorbent assay.Results: GCLRP activated peripheral monocytes and was associated with increased blood precursors of dendritic cells. Mean survival increased (P < 0.001 and tumor size was smaller (P < 0.02 in the GCLRP + radiation group compared to the radiation-only group. Accumulation of dendritic cells in both the tumoral hemisphere (P < 0.005 and contralateral tumor-free hemisphere (P< 0.01 was

  4. Interference effects in learning similar sequences of discrete movements

    NARCIS (Netherlands)

    Koedijker, J.M.; Oudejans, R.R.D.; Beek, P.J.

    2010-01-01

    Three experiments were conducted to examine proactive and retroactive interference effects in learning two similar sequences of discrete movements. In each experiment, the participants in the experimental group practiced two movement sequences on consecutive days (1 on each day, order

  5. Contingency and similarity in response selection.

    Science.gov (United States)

    Prinz, Wolfgang

    2018-05-09

    This paper explores issues of task representation in choice reaction time tasks. How is it possible, and what does it take, to represent such a task in a way that enables a performer to do the task in line with the prescriptions entailed in the instructions? First, a framework for task representation is outlined which combines the implementation of task sets and their use for performance with different kinds of representational operations (pertaining to feature compounds for event codes and code assemblies for task sets, respectively). Then, in a second step, the framework is itself embedded in the bigger picture of the classical debate on the roles of contingency and similarity for the formation of associations. The final conclusion is that both principles are needed and that the operation of similarity at the level of task sets requires and presupposes the operation of contingency at the level of event codes. Copyright © 2018 The Author. Published by Elsevier Inc. All rights reserved.

  6. Experimental studies on the influence of a neutron irradiation on immunity as studied by means of a combined Tetanus-Novyi vaccination of mice

    International Nuclear Information System (INIS)

    Groetsch, G.

    1983-01-01

    Experiments were done in 4 variations. Antibody titers were tested with ELISA and HA test. Neutron radiation caused immunosuppression. The effect was increased when irradiation was given one day before vaccination, compared to irradiation given one day after irradiation. Enhancing the radiation dose caused a stronger immunosuppression. Neutron radiation also had a negative influence on the secondary immune reaction when given between the vaccinations (III). Given after the second vaccination the irradiation stimulated the immune response. If Tetanus and Novyi toxoid are used for vaccination in combination, the Novyi antigen stimulus is weakened by the Tetanus component. This fact also occurs after neutron irradiation. This shows that the irradiation effect also depends on the antigen itself. Best protection against radiation will be reached by vaccinating and revaccinating before the insult. Also a revaccination after a radiation insult will be useful. (orig.) [de

  7. Combining "open-lung" ventilation and arteriovenous extracorporeal lung assist: influence of different tidal volumes on gas exchange in experimental lung failure.

    Science.gov (United States)

    Muellenbach, Ralf M; Kredel, Markus; Kuestermann, Julian; Klingelhoefer, Michael; Schuster, Frank; Wunder, Christian; Kranke, Peter; Roewer, Norbert; Brederlau, Jörg

    2009-08-01

    Although low-tidal ventilation may reduce mortality in acute respiratory distress syndrome (ARDS), it can also result in severe respiratory acidosis and lung derecruitment. This study tested the hypothesis that combining "open-lung" ventilation and arteriovenous extracorporeal lung assist (av-ECLA) allows for maximal tidal volume (VT) reduction without the development of decompensated respiratory acidosis and impairment of oxygenation. After induction of ARDS in eight female pigs (56.1+/-3.2 kg), lung recruitment was performed and positive end-expiratory pressure was set 3 cmH2O above the lower inflection point of the pressure-volume curve. All animals were ventilated in the pressure-controlled ventilation mode (PCV) with VTs ranging from 0-8 ml/kg. At each VT, gas exchange and hemodynamic measurements were obtained with the av-ECLA circuit clamped and declamped. With each declamping, the gas flow through the membrane lung was set to 10 l of oxygen/min. The respiratory rate was adjusted to maintain normocapnia, but limited to 40/min. After lung recruitment, oxygenation remained significantly improved although VTs were minimized to 0 ml/kg (p<0.05). PaO2 was significantly improved during PCV and av-ECLA compared with PCV alone at VTs <4 ml/kg (p<0.05). With VT <6 ml/kg, severe acidosis could only be avoided if PCV was combined with av-ECLA. Due to sufficient CO2 elimination during av-ECLA, the VTs could be reduced to 0-2 ml/kg without the risk of decompensated respiratory acidosis. It was also shown that the "open-lung" strategy chosen was associated with sustained improvements in oxygenation, even though VTs were minimized.

  8. Combination of ozone feed and wet electrostatic precipitator. Experimental study of an innovative system to filter gaseous iodine and iodine containing particles

    International Nuclear Information System (INIS)

    Gouëllo, Mélany; Hokkinen, Jouni; Kärkelä, Teemu; Auvinen, Ari

    2017-01-01

    Efficient mitigation systems capable of reducing as much as possible the radioactive discharge to the environment in a severe Nuclear Power Plant (NPP) accident are a necessity. Nuclear Power Plants are equipped with filtration systems which have been characterized for aerosol retention in a short term, but to a far lesser extent for the retention of volatile iodine or for the long-term behaviour of the system. After the Fukushima accident, one of the main concerns of the nuclear industry has been to verify the ability of filtration systems to mitigate the possible source term to the environment. Radiotoxic iodine has a significant contribution to a possible source term in a severe NPP accident. An innovative system has been developed at VTT Technical Research Centre of Finland Ltd. to filter gaseous iodine and iodine containing particles (e.g. I x O y ). The system consists of a combination of an ozone feed and a modern wet electrostatic precipitator (WESP). The electrostatic precipitation (ESP) technique is widely used in the industry to filter out impurities (i.e. particles) in gases. The advantage of a WESP is that the impurities are removed from the system with a solution. They can thus directly be transported to a water container, such as the sump in a nuclear power plant. The addition of ozone feed at the inlet of the WESP allows the oxidation of gaseous iodine into particles. The efficiency of the system for the filtration of gaseous molecular iodine and methyl iodine has been tested and the subsequent observations are further discussed in this paper. The results showed that the combination of WESP together with ozone feed results in a good filtering efficiency against molecular iodine under air atmosphere and air/steam atmosphere. (author)

  9. Contextual Factors for Finding Similar Experts

    DEFF Research Database (Denmark)

    Hofmann, Katja; Balog, Krisztian; Bogers, Toine

    2010-01-01

    -seeking models, are rarely taken into account. In this article, we extend content-based expert-finding approaches with contextual factors that have been found to influence human expert finding. We focus on a task of science communicators in a knowledge-intensive environment, the task of finding similar experts......, given an example expert. Our approach combines expertise-seeking and retrieval research. First, we conduct a user study to identify contextual factors that may play a role in the studied task and environment. Then, we design expert retrieval models to capture these factors. We combine these with content......-based retrieval models and evaluate them in a retrieval experiment. Our main finding is that while content-based features are the most important, human participants also take contextual factors into account, such as media experience and organizational structure. We develop two principled ways of modeling...

  10. Similarity principles for equipment qualification by experience

    International Nuclear Information System (INIS)

    Kana, D.D.; Pomerening, D.J.

    1988-07-01

    A methodology is developed for seismic qualification of nuclear plant equipment by applying similarity principles to existing experience data. Experience data are available from previous qualifications by analysis or testing, or from actual earthquake events. Similarity principles are defined in terms of excitation, equipment physical characteristics, and equipment response. Physical similarity is further defined in terms of a critical transfer function for response at a location on a primary structure, whose response can be assumed directly related to ultimate fragility of the item under elevated levels of excitation. Procedures are developed for combining experience data into composite specifications for qualification of equipment that can be shown to be physically similar to the reference equipment. Other procedures are developed for extending qualifications beyond the original specifications under certain conditions. Some examples for application of the procedures and verification of them are given for certain cases that can be approximated by a two degree of freedom simple primary/secondary system. Other examples are based on use of actual test data available from previous qualifications. Relationships of the developments with other previously-published methods are discussed. The developments are intended to elaborate on the rather broad revised guidelines developed by the IEEE 344 Standards Committee for equipment qualification in new nuclear plants. However, the results also contribute to filling a gap that exists between the IEEE 344 methodology and that previously developed by the Seismic Qualification Utilities Group. The relationship of the results to safety margin methodology is also discussed. (author)

  11. Image magnification based on similarity analogy

    International Nuclear Information System (INIS)

    Chen Zuoping; Ye Zhenglin; Wang Shuxun; Peng Guohua

    2009-01-01

    Aiming at the high time complexity of the decoding phase in the traditional image enlargement methods based on fractal coding, a novel image magnification algorithm is proposed in this paper, which has the advantage of iteration-free decoding, by using the similarity analogy between an image and its zoom-out and zoom-in. A new pixel selection technique is also presented to further improve the performance of the proposed method. Furthermore, by combining some existing fractal zooming techniques, an efficient image magnification algorithm is obtained, which can provides the image quality as good as the state of the art while greatly decrease the time complexity of the decoding phase.

  12. Similarity analysis between quantum images

    Science.gov (United States)

    Zhou, Ri-Gui; Liu, XingAo; Zhu, Changming; Wei, Lai; Zhang, Xiafen; Ian, Hou

    2018-06-01

    Similarity analyses between quantum images are so essential in quantum image processing that it provides fundamental research for the other fields, such as quantum image matching, quantum pattern recognition. In this paper, a quantum scheme based on a novel quantum image representation and quantum amplitude amplification algorithm is proposed. At the end of the paper, three examples and simulation experiments show that the measurement result must be 0 when two images are same, and the measurement result has high probability of being 1 when two images are different.

  13. Supramolecular features of 2-(chlorophenyl)-3-[(chlorobenzylidene)-amino]-2,3-dihydroquinazolin-4(1H)-ones: A combined experimental and computational study

    Science.gov (United States)

    Mandal, Arkalekha; Patel, Bhisma K.

    2018-03-01

    The molecular structures of two isomeric 2-(chlorophenyl)-3-[(chlorobenzylidene)-amino] substituted 2,3-dihydroquinazolin-4(1H)-ones have been determined via single crystal XRD. Both isomers contain chloro substitutions on each of the phenyl rings and as a result a broad spectrum of halogen mediated weak interactions are viable in their crystal structures. The crystal packing of these compounds is stabilized by strong N-H⋯O hydrogen bond and various weak, non-classical hydrogen bond