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Sample records for unknown compounds based

  1. Matrix- and tensor-based recommender systems for the discovery of currently unknown inorganic compounds

    Science.gov (United States)

    Seko, Atsuto; Hayashi, Hiroyuki; Kashima, Hisashi; Tanaka, Isao

    2018-01-01

    Chemically relevant compositions (CRCs) and atomic arrangements of inorganic compounds have been collected as inorganic crystal structure databases. Machine learning is a unique approach to search for currently unknown CRCs from vast candidates. Herein we propose matrix- and tensor-based recommender system approaches to predict currently unknown CRCs from database entries of CRCs. Firstly, the performance of the recommender system approaches to discover currently unknown CRCs is examined. A Tucker decomposition recommender system shows the best discovery rate of CRCs as the majority of the top 100 recommended ternary and quaternary compositions correspond to CRCs. Secondly, systematic density functional theory (DFT) calculations are performed to investigate the phase stability of the recommended compositions. The phase stability of the 27 compositions reveals that 23 currently unknown compounds are newly found to be stable. These results indicate that the recommender system has great potential to accelerate the discovery of new compounds.

  2. A combined Fisher and Laplacian score for feature selection in QSAR based drug design using compounds with known and unknown activities.

    Science.gov (United States)

    Valizade Hasanloei, Mohammad Amin; Sheikhpour, Razieh; Sarram, Mehdi Agha; Sheikhpour, Elnaz; Sharifi, Hamdollah

    2018-02-01

    Quantitative structure-activity relationship (QSAR) is an effective computational technique for drug design that relates the chemical structures of compounds to their biological activities. Feature selection is an important step in QSAR based drug design to select the most relevant descriptors. One of the most popular feature selection methods for classification problems is Fisher score which aim is to minimize the within-class distance and maximize the between-class distance. In this study, the properties of Fisher criterion were extended for QSAR models to define the new distance metrics based on the continuous activity values of compounds with known activities. Then, a semi-supervised feature selection method was proposed based on the combination of Fisher and Laplacian criteria which exploits both compounds with known and unknown activities to select the relevant descriptors. To demonstrate the efficiency of the proposed semi-supervised feature selection method in selecting the relevant descriptors, we applied the method and other feature selection methods on three QSAR data sets such as serine/threonine-protein kinase PLK3 inhibitors, ROCK inhibitors and phenol compounds. The results demonstrated that the QSAR models built on the selected descriptors by the proposed semi-supervised method have better performance than other models. This indicates the efficiency of the proposed method in selecting the relevant descriptors using the compounds with known and unknown activities. The results of this study showed that the compounds with known and unknown activities can be helpful to improve the performance of the combined Fisher and Laplacian based feature selection methods.

  3. A chromatographic objective function to characterise chromatograms with unknown compounds or without standards available.

    Science.gov (United States)

    Alvarez-Segura, T; Gómez-Díaz, A; Ortiz-Bolsico, C; Torres-Lapasió, J R; García-Alvarez-Coque, M C

    2015-08-28

    Getting useful chemical information from samples containing many compounds is still a challenge to analysts in liquid chromatography. The highest complexity corresponds to samples for which there is no prior knowledge about their chemical composition. Computer-based methodologies are currently considered as the most efficient tools to optimise the chromatographic resolution, and further finding the optimal separation conditions. However, most chromatographic objective functions (COFs) described in the literature to measure the resolution are based on mathematical models fitted with the information obtained from standards, and cannot be applied to samples with unknown compounds. In this work, a new COF based on the automatic measurement of the protruding part of the chromatographic peaks (or peak prominences) that indicates the number of perceptible peaks and global resolution, without the need of standards, is developed. The proposed COF was found satisfactory with regard to the peak purity criterion when applied to artificial peaks and simulated chromatograms of mixtures built using the information of standards. The approach was applied to mixtures of drugs containing unknown impurities and degradation products and to extracts of medicinal herbs, eluted with acetonitrile-water mixtures using isocratic and gradient elution. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Streamlined structure elucidation of an unknown compound in a pigment formulation.

    Science.gov (United States)

    Yüce, Imanuel; Morlock, Gertrud E

    2016-10-21

    A fast and reliable quality control is important for ink manufacturers to ensure a constant production grade of mixtures and chemical formulations, and unknown components attract their attention. Structure elucidating techniques seem time-consuming in combination with column-based methods, but especially the low solubility of pigment formulations is challenging the analysis. In contrast, layer chromatography is more tolerant with regard to pigment particles. One PLC plate for NMR and FTIR analyses and one HPTLC plate for recording of high resolution mass spectra, MS/MS spectra and for gathering information on polarity and spectral properties were needed to characterize a structure, exemplarily shown for an unknown component in pigment Red 57:1 to be 3-hydroxy-2-naphtoic acid. A preparative layer chromatography (PLC) workflow was developed that used an Automated Multiple Development 2 (AMD 2) system. The 0.5-mm PLC plate could still be operated in the AMD 2 system and allowed a smooth switch from the analytical to the preparative gradient separation. Through automated gradient development and the resulting focusing of bands, the sharpness of the PLC bands was improved. For NMR, the necessary high load of the target compound on the PLC plate was achieved via a selective solvent extraction that discriminated the polar sample matrix and thus increased the application volume of the extract that could maximally be applied without overloading. By doing so, the yield for NMR analysis was improved by a factor of 9. The effectivity gain through a simple, but thoroughly chosen extraction solvent is often overlooked, and for educational purpose, it was clearly illustrated and demonstrated by an extended solvent screening. Thus, PLC using an automated gradient development after a selective extraction was proven to be a new powerful combination for structural elucidation by NMR. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. Isolation and Structural Elucidation of an Unknown compound from Murraya alternans (Kurz)Swingle

    International Nuclear Information System (INIS)

    Mya Aye; Hla Myoe Min; Sein Htun

    2002-02-01

    A new taxon of a species, Murraya alternans (Kurz) Swingle (Myanmar name, Naganaing) the series of Murraya belonging to the family Rutaceae had been recognized by Peter G. Waterman in 1986. However, this species has not been undertaken in botanical, medical, and chemical aspects. In this paper, scientific study on this taxon was chemically carried out for the first time. One of the unknown compounds was isolated from this species by column and high performance liquid chromatographic methods. It's partial structure could also be elucidated by spectral analysis such as IR, MS, H NMR(400MHz), C NMR (100MHz) spectrometry respectively. (author)

  6. Vision-based autonomous grasping of unknown piled objects

    International Nuclear Information System (INIS)

    Johnson, R.K.

    1994-01-01

    Computer vision techniques have been used to develop a vision-based grasping capability for autonomously picking and placing unknown piled objects. This work is currently being applied to the problem of hazardous waste sorting in support of the Department of Energy's Mixed Waste Operations Program

  7. Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics.

    Science.gov (United States)

    Vaniya, Arpana; Fiehn, Oliver

    2015-06-01

    Identification of unknown metabolites is the bottleneck in advancing metabolomics, leaving interpretation of metabolomics results ambiguous. The chemical diversity of metabolism is vast, making structure identification arduous and time consuming. Currently, comprehensive analysis of mass spectra in metabolomics is limited to library matching, but tandem mass spectral libraries are small compared to the large number of compounds found in the biosphere, including xenobiotics. Resolving this bottleneck requires richer data acquisition and better computational tools. Multi-stage mass spectrometry (MSn) trees show promise to aid in this regard. Fragmentation trees explore the fragmentation process, generate fragmentation rules and aid in sub-structure identification, while mass spectral trees delineate the dependencies in multi-stage MS of collision-induced dissociations. This review covers advancements over the past 10 years as a tool for metabolite identification, including algorithms, software and databases used to build and to implement fragmentation trees and mass spectral annotations.

  8. Parameter identification of chaos system based on unknown parameter observer

    International Nuclear Information System (INIS)

    Wang Shaoming; Luo Haigeng; Yue Chaoyuan; Liao Xiaoxin

    2008-01-01

    Parameter identification of chaos system based on unknown parameter observer is discussed generally. Based on the work of Guan et al. [X.P. Guan, H.P. Peng, L.X. Li, et al., Acta Phys. Sinica 50 (2001) 26], the design of unknown parameter observer is improved. The application of the improved approach is extended greatly. The works in some literatures [X.P. Guan, H.P. Peng, L.X. Li, et al., Acta Phys. Sinica 50 (2001) 26; J.H. Lue, S.C. Zhang, Phys. Lett. A 286 (2001) 148; X.Q. Wu, J.A. Lu, Chaos Solitons Fractals 18 (2003) 721; J. Liu, S.H. Chen, J. Xie, Chaos Solitons Fractals 19 (2004) 533] are only the special cases of our Corollaries 1 and 2. Some observers for Lue system and a new chaos system are designed to test our improved method, and simulations results demonstrate the effectiveness and feasibility of the improved approach

  9. Security Measurement for Unknown Threats Based on Attack Preferences

    Directory of Open Access Journals (Sweden)

    Lihua Yin

    2018-01-01

    Full Text Available Security measurement matters to every stakeholder in network security. It provides security practitioners the exact security awareness. However, most of the works are not applicable to the unknown threat. What is more, existing efforts on security metric mainly focus on the ease of certain attack from a theoretical point of view, ignoring the “likelihood of exploitation.” To help administrator have a better understanding, we analyze the behavior of attackers who exploit the zero-day vulnerabilities and predict their attack timing. Based on the prediction, we propose a method of security measurement. In detail, we compute the optimal attack timing from the perspective of attacker, using a long-term game to estimate the risk of being found and then choose the optimal timing based on the risk and profit. We design a learning strategy to model the information sharing mechanism among multiattackers and use spatial structure to model the long-term process. After calculating the Nash equilibrium for each subgame, we consider the likelihood of being attacked for each node as the security metric result. The experiment results show the efficiency of our approach.

  10. RBF neural network based H∞ synchronization for unknown chaotic ...

    Indian Academy of Sciences (India)

    , 172 ... the effect of disturbance to an H∞ norm constraint. It is shown that ... unknown chaotic systems; linear matrix inequality (LMI); learning law. 1. Introduction .... (9) is RBFNN H∞ synchronized if the synchronization error e(t) satisfies. ∫ ∞.

  11. Compounds in food packaging materials - toxicological profiling of knowns and unknowns

    DEFF Research Database (Denmark)

    Rosenmai, Anna Kjerstine

    compounds present in these materials. Specific focus was placed on in vitroendpoints assessing endocrine activity. BPA, five BPA analogues, and 19 fluorinated substances including fluorochemical containing technical mixtures (TMs) were investigated. The in vitro assays included the androgen receptor (AR....... It is recommended to test more FCMs of paper and board with the strategy to obtain information on other potentially problematic compounds present in these materials. The presented data overall suggest that some compounds present in FCMs or suspected of being used can exert endocrine activities in vitro, though......Food contact materials (FCMs) are sources of food contamination and human chemical exposure. Some chemicals in these materials are known to cause adverse effects, but many are poorly characterized for their potential toxicological hazards making risk assessment a challenge. The aim of the project...

  12. Product ion isotopologue pattern: A tool to improve the reliability of elemental composition elucidations of unknown compounds in complex matrices.

    Science.gov (United States)

    Kaufmann, A; Walker, S; Mol, G

    2016-04-15

    Elucidation of the elemental compositions of unknown compounds (e.g., in metabolomics) generally relies on the availability of accurate masses and isotopic ratios. This study focuses on the information provided by the abundance ratio within a product ion pair (monoisotopic versus the first isotopic peak) when isolating and fragmenting the first isotopic ion (first isotopic mass spectrum) of the precursor. This process relies on the capability of the quadrupole within the Q Orbitrap instrument to isolate a very narrow mass window. Selecting only the first isotopic peak (first isotopic mass spectrum) leads to the observation of a unique product ion pair. The lighter ion within such an isotopologue pair is monoisotopic, while the heavier ion contains a single carbon isotope. The observed abundance ratio is governed by the percentage of carbon atoms lost during the fragmentation and can be described by a hypergeometric distribution. The observed carbon isotopologue abundance ratio (product ion isotopologue pattern) gives reliable information regarding the percentage of carbon atoms lost in the fragmentation process. It therefore facilitates the elucidation of the involved precursor and product ions. Unlike conventional isotopic abundances, the product ion isotopologue pattern is hardly affected by isobaric interferences. Furthermore, the appearance of these pairs greatly aids in cleaning up a 'matrix-contaminated' product ion spectrum. The product ion isotopologue pattern is a valuable tool for structural elucidation. It increases confidence in results and permits structural elucidations for heavier ions. This tool is also very useful in elucidating the elemental composition of product ions. Such information is highly valued in the field of multi-residue analysis, where the accurate mass of product ions is required for the confirmation process. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  13. Content-Based Multimedia Retrieval in the Presence of Unknown User Preferences

    DEFF Research Database (Denmark)

    Beecks, Christian; Assent, Ira; Seidl, Thomas

    2011-01-01

    Content-based multimedia retrieval requires an appropriate similarity model which reflects user preferences. When these preferences are unknown or when the structure of the data collection is unclear, retrieving the most preferable objects the user has in mind is challenging, as the notion...... address the problem of content-based multimedia retrieval in the presence of unknown user preferences. Our idea consists in performing content-based retrieval by considering all possibilities in a family of similarity models simultaneously. To this end, we propose a novel content-based retrieval approach...

  14. Chaos Synchronization Based on Unknown Input Proportional Multiple-Integral Fuzzy Observer

    Directory of Open Access Journals (Sweden)

    T. Youssef

    2013-01-01

    Full Text Available This paper presents an unknown input Proportional Multiple-Integral Observer (PIO for synchronization of chaotic systems based on Takagi-Sugeno (TS fuzzy chaotic models subject to unmeasurable decision variables and unknown input. In a secure communication configuration, this unknown input is regarded as a message encoded in the chaotic system and recovered by the proposed PIO. Both states and outputs of the fuzzy chaotic models are subject to polynomial unknown input with kth derivative zero. Using Lyapunov stability theory, sufficient design conditions for synchronization are proposed. The PIO gains matrices are obtained by resolving linear matrix inequalities (LMIs constraints. Simulation results show through two TS fuzzy chaotic models the validity of the proposed method.

  15. A NEW METHOD OF CHANNEL FRICTION INVERSION BASED ON KALMAN FILTER WITH UNKNOWN PARAMETER VECTOR

    Institute of Scientific and Technical Information of China (English)

    CHENG Wei-ping; MAO Gen-hai; LIU Guo-hua

    2005-01-01

    Channel friction is an important parameter in hydraulic analysis.A channel friction parameter inversion method based on Kalman Filter with unknown parameter vector is proposed.Numerical simulations indicate that when the number of monitoring stations exceeds a critical value, the solution is hardly affected.In addition, Kalman Filter with unknown parameter vector is effective only at unsteady state.For the nonlinear equations, computations of sensitivity matrices are time-costly.Two simplified measures can reduce computing time, but not influence the results.One is to reduce sensitivity matrix analysis time, the other is to substitute for sensitivity matrix.

  16. Adaptive control of Parkinson's state based on a nonlinear computational model with unknown parameters.

    Science.gov (United States)

    Su, Fei; Wang, Jiang; Deng, Bin; Wei, Xi-Le; Chen, Ying-Yuan; Liu, Chen; Li, Hui-Yan

    2015-02-01

    The objective here is to explore the use of adaptive input-output feedback linearization method to achieve an improved deep brain stimulation (DBS) algorithm for closed-loop control of Parkinson's state. The control law is based on a highly nonlinear computational model of Parkinson's disease (PD) with unknown parameters. The restoration of thalamic relay reliability is formulated as the desired outcome of the adaptive control methodology, and the DBS waveform is the control input. The control input is adjusted in real time according to estimates of unknown parameters as well as the feedback signal. Simulation results show that the proposed adaptive control algorithm succeeds in restoring the relay reliability of the thalamus, and at the same time achieves accurate estimation of unknown parameters. Our findings point to the potential value of adaptive control approach that could be used to regulate DBS waveform in more effective treatment of PD.

  17. Ratbot automatic navigation by electrical reward stimulation based on distance measurement in unknown environments.

    Science.gov (United States)

    Gao, Liqiang; Sun, Chao; Zhang, Chen; Zheng, Nenggan; Chen, Weidong; Zheng, Xiaoxiang

    2013-01-01

    Traditional automatic navigation methods for bio-robots are constrained to configured environments and thus can't be applied to tasks in unknown environments. With no consideration of bio-robot's own innate living ability and treating bio-robots in the same way as mechanical robots, those methods neglect the intelligence behavior of animals. This paper proposes a novel ratbot automatic navigation method in unknown environments using only reward stimulation and distance measurement. By utilizing rat's habit of thigmotaxis and its reward-seeking behavior, this method is able to incorporate rat's intrinsic intelligence of obstacle avoidance and path searching into navigation. Experiment results show that this method works robustly and can successfully navigate the ratbot to a target in the unknown environment. This work might put a solid base for application of ratbots and also has significant implication of automatic navigation for other bio-robots as well.

  18. Comparison of various structural damage tracking techniques with unknown excitations based on experimental data

    Science.gov (United States)

    Huang, Hongwei; Yang, Jann N.; Zhou, Li

    2009-03-01

    An early detection of structural damages is critical for the decision making of repair and replacement maintenance in order to guarantee a specified structural reliability. Consequently, the structural damage detection, based on vibration data measured from the structural health monitoring (SHM) system, has received considerable attention recently. The traditional time-domain analysis techniques, such as the least square estimation (LSE) method and the extended Kalman filter (EKF) approach, require that all the external excitations (inputs) be available, which may not be the case for some SHM systems. Recently, these two approaches have been extended to cover the general case where some of the external excitations (inputs) are not measured, referred to as the LSE with unknown inputs (LSE-UI) and the EKF with unknown inputs (EKF-UI). Also, new analysis methods, referred to as the sequential non-linear least-square estimation with unknown inputs and unknown outputs (SNLSE-UI-UO) and the quadratic sum-square error with unknown inputs (QSSE-UI), have been proposed for the damage tracking of structures when some of the acceleration responses are not measured and the external excitations are not available. In this paper, these newly proposed analysis methods will be compared in terms of accuracy, convergence and efficiency, for damage identification of structures based on experimental data obtained through a series of experimental tests using a small-scale 3-story building model with white noise excitation. The capability of the LSE-UI, EKF-UI, SNLSE-UI-UO and QSSE-UI approaches in tracking the structural damages will be demonstrated.

  19. In vitro biomonitoring in polar extracts of solid phase matrices reveals the presence of unknown compounds with estrogenic activity

    NARCIS (Netherlands)

    Legler, J.; Leonards, P.E.G.; Spenkelink, A.; Murk, A.J.

    2003-01-01

    Determination of estrogenic activity has so far mainly concentrated on the assessment of compounds in surface water and effluent. This study is one of the first to biomonitor (xeno-)estrogens in sediment, suspended particulate matter and aquatic organisms. The relatively polar acetone extracts from

  20. RSS-based localization of isotropically decaying source with unknown power and pathloss factor

    International Nuclear Information System (INIS)

    Sun, Shunyuan; Sun, Li; Ding, Zhiguo

    2016-01-01

    This paper addresses the localization of an isotropically decaying source based on the received signal strength (RSS) measurements that are collected from nearby active sensors that are position-known and wirelessly connected, and it propose a novel iterative algorithm for RSS-based source localization in order to improve the location accuracy and realize real-time location and automatic monitoring for hospital patients and medical equipment in the smart hospital. In particular, we consider the general case where the source power and pathloss factor are both unknown. For such a source localization problem, we propose an iterative algorithm, in which the unknown source position and two other unknown parameters (i.e. the source power and pathloss factor) are estimated in an alternating way based on each other, with our proposed sub-optimum initial estimate on source position obtained based on the RSS measurements that are collected from a few (closest) active sensors with largest RSS values. Analysis and simulation study show that our proposed iterative algorithm guarantees globally convergence to the least-squares (LS) solution, where for our suitably assumed independent and identically distributed (i.i.d.) zero-mean Gaussian RSS measurement errors the converged localization performance achieves the optimum that corresponds to the Cramer–Rao lower bound (CRLB).

  1. Fault diagnosis of an intelligent hydraulic pump based on a nonlinear unknown input observer

    Directory of Open Access Journals (Sweden)

    Zhonghai MA

    2018-02-01

    Full Text Available Hydraulic piston pumps are commonly used in aircraft. In order to improve the viability of aircraft and energy efficiency, intelligent variable pressure pump systems have been used in aircraft hydraulic systems more and more widely. Efficient fault diagnosis plays an important role in improving the reliability and performance of hydraulic systems. In this paper, a fault diagnosis method of an intelligent hydraulic pump system (IHPS based on a nonlinear unknown input observer (NUIO is proposed. Different from factors of a full-order Luenberger-type unknown input observer, nonlinear factors of the IHPS are considered in the NUIO. Firstly, a new type of intelligent pump is presented, the mathematical model of which is established to describe the IHPS. Taking into account the real-time requirements of the IHPS and the special structure of the pump, the mechanism of the intelligent pump and failure modes are analyzed and two typical failure modes are obtained. Furthermore, a NUIO of the IHPS is performed based on the output pressure and swashplate angle signals. With the residual error signals produced by the NUIO, online intelligent pump failure occurring in real-time can be detected. Lastly, through analysis and simulation, it is confirmed that this diagnostic method could accurately diagnose and isolate those typical failure modes of the nonlinear IHPS. The method proposed in this paper is of great significance in improving the reliability of the IHPS. Keywords: Fault diagnosis, Hydraulic piston pump, Model-based, Nonlinear unknown input observer (NUIO, Residual error

  2. Iterative Adaptive Dynamic Programming for Solving Unknown Nonlinear Zero-Sum Game Based on Online Data.

    Science.gov (United States)

    Zhu, Yuanheng; Zhao, Dongbin; Li, Xiangjun

    2017-03-01

    H ∞ control is a powerful method to solve the disturbance attenuation problems that occur in some control systems. The design of such controllers relies on solving the zero-sum game (ZSG). But in practical applications, the exact dynamics is mostly unknown. Identification of dynamics also produces errors that are detrimental to the control performance. To overcome this problem, an iterative adaptive dynamic programming algorithm is proposed in this paper to solve the continuous-time, unknown nonlinear ZSG with only online data. A model-free approach to the Hamilton-Jacobi-Isaacs equation is developed based on the policy iteration method. Control and disturbance policies and value are approximated by neural networks (NNs) under the critic-actor-disturber structure. The NN weights are solved by the least-squares method. According to the theoretical analysis, our algorithm is equivalent to a Gauss-Newton method solving an optimization problem, and it converges uniformly to the optimal solution. The online data can also be used repeatedly, which is highly efficient. Simulation results demonstrate its feasibility to solve the unknown nonlinear ZSG. When compared with other algorithms, it saves a significant amount of online measurement time.

  3. An Evidence-Based Review Literature About Risk Indicators and Management of Unknown-Origin Xerostomia

    Directory of Open Access Journals (Sweden)

    Farzaneh Agha-hosseini

    2013-01-01

    Full Text Available Objective: This evidence-based article reviews risk indicators and management of unknown-origin xerostomia. Xerostomia and hyposalivation refer to different aspects of dry mouth. Xerostomia is a subjective sensation of dry mouth, whilst hyposalivation is defined as an objective assessment of reduced salivary flow rate. About 30% of the elderly (65 years and older experience xerostomia and hyposalivation. Structural and functional factors, or both may lead to salivary gland dysfunction.Study Selection: The EBM literature search was conducted by using the medical literature database MEDLINE via PubMed and OvidMedline search engines. Results were limited to English language articles (1965 to present including clinical trials (CT, randomized controlled trials (RCT, systematic reviews and review articles. Case control or cohort studies were included for the etiology.Results: Neuropathic etiology such as localized oral alteration of thermal sensations, saliva composition change (for example higher levels of K, Cl, Ca, IgA, amylase, calcium, PTH and cortisol, lower levels of estrogen and progesterone, smaller salivary gland size, and illnesses such as lichen planus, are risk indicators for unknown-origin xerostomia. The management is palliative and preventative. Management of symptoms includes drug administration (systemic secretogogues, saliva substitutes and bile secretion-stimulator, night guard, diet and habit modifications. Other managements may be indicated to treat adverse effects.Conclusion: Neuropathic etiology, saliva composition change, smaller salivary gland size, and illnesses such as oral lichen planus can be suggestive causes for unknown-origin xerostomia. However, longitudinal studies will be important to elucidate the causes of unknown-origin xerostomia.

  4. A multiple-dimension liquid chromatography coupled with mass spectrometry data strategy for the rapid discovery and identification of unknown compounds from a Chinese herbal formula (Er-xian decoction).

    Science.gov (United States)

    Wang, Caihong; Zhang, Jinlan; Wu, Caisheng; Wang, Zhe

    2017-10-06

    It is very important to rapidly discover and identify the multiple components of traditional Chinese medicine (TCM) formula. High performance liquid chromatography with high resolution tandem mass spectrometry (HPLC-HRMS/MS) has been widely used to analyze TCM formula and contains multiple-dimension data including retention time (RT), high resolution mass (HRMS), multiple-stage mass spectrometric (MS n ), and isotope intensity distribution (IID) data. So it is very necessary to exploit a useful strategy to utilize multiple-dimension data to rapidly probe structural information and identify chemical compounds. In this study, a new strategy to initiatively use the multiple-dimension LC-MS data has been developed to discover and identify unknown compounds of TCM in many styles. The strategy guarantees the fast discovery of candidate structural information and provides efficient structure clues for identification. The strategy contains four steps in sequence: (1) to discover potential compounds and obtain sub-structure information by the mass spectral tree similarity filter (MTSF) technique, based on HRMS and MS n data; (2) to classify potential compounds into known chemical classes by discriminant analysis (DA) on the basis of RT and HRMS data; (3) to hit the candidate structural information of compounds by intersection sub-structure between MTSF and DA (M,D-INSS); (4) to annotate and confirm candidate structures by IID data. This strategy allowed for the high exclusion efficiency (greater than 41%) of irrelevant ions in er-xian decoction (EXD) while providing accurate structural information of 553 potential compounds and identifying 66 candidates, therefore accelerating and simplifying the discovery and identification of unknown compounds in TCM formula. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. ANALYSIS AND IDENTIFICATION SPIKING CHEMICAL COMPOUNDS RELATED TO CHEMICAL WEAPON CONVENTION IN UNKNOWN WATER SAMPLES USING GAS CHROMATOGRAPHY AND GAS CHROMATOGRAPHY ELECTRON IONIZATION MASS SPECTROMETRY

    Directory of Open Access Journals (Sweden)

    Harry Budiman

    2010-06-01

    Full Text Available The identification and analysis of chemical warfare agents and their degradation products is one of important component for the implementation of the convention. Nowadays, the analytical method for determination chemical warfare agent and their degradation products has been developing and improving. In order to get the sufficient analytical data as recommended by OPCW especially in Proficiency Testing, the spiking chemical compounds related to Chemical Weapon Convention in unknown water sample were determined using two different techniques such as gas chromatography and gas chromatography electron-impact ionization mass spectrometry. Neutral organic extraction, pH 11 organic extraction, cation exchanged-methylation, triethylamine/methanol-silylation were performed to extract the chemical warfare agents from the sample, before analyzing with gas chromatography. The identification of chemical warfare agents was carried out by comparing the mass spectrum of chemicals with mass spectrum reference from the OPCW Central Analytical Database (OCAD library while the retention indices calculation obtained from gas chromatography analysis was used to get the confirmation and supported data of  the chemical warfare agents. Diisopropyl methylphosphonate, 2,2-diphenyl-2-hydroacetic acid and 3-quinuclidinol were found in unknown water sample. Those chemicals were classified in schedule 2 as precursor or reactant of chemical weapons compound in schedule list of Chemical Weapon Convention.   Keywords: gas chromatography, mass spectrometry, retention indices, OCAD library, chemical warfare agents

  6. Is counter-terrorism policy evidence-based? What works, what harms, and what is unknown.

    Science.gov (United States)

    Lum, Cynthia; Kennedy, Leslie W; Sherley, Alison

    2008-02-01

    Is counter-terrorism policy evidence-based? What works, what harms, and what is unknown. One of the central concerns surrounding counter-terrorism interventions today, given the attention and money spent on them, is whether such interventions are effective. To explore this issue, we conducted a general review of terrorism literature as well as a Campbell systematic review on counter-terrorism strategies. In this article, we summarize some of our findings from these works. Overall, we found an almost complete absence of evaluation research on counter-terrorism strategies and conclude that counter-terrorism policy is not evidence-based. The findings of this review emphasise the need for government leaders, policy makers, researchers, and funding agencies to include and insist on evaluations of the effectiveness of these programs in their agendas.

  7. Neural-network-observer-based optimal control for unknown nonlinear systems using adaptive dynamic programming

    Science.gov (United States)

    Liu, Derong; Huang, Yuzhu; Wang, Ding; Wei, Qinglai

    2013-09-01

    In this paper, an observer-based optimal control scheme is developed for unknown nonlinear systems using adaptive dynamic programming (ADP) algorithm. First, a neural-network (NN) observer is designed to estimate system states. Then, based on the observed states, a neuro-controller is constructed via ADP method to obtain the optimal control. In this design, two NN structures are used: a three-layer NN is used to construct the observer which can be applied to systems with higher degrees of nonlinearity and without a priori knowledge of system dynamics, and a critic NN is employed to approximate the value function. The optimal control law is computed using the critic NN and the observer NN. Uniform ultimate boundedness of the closed-loop system is guaranteed. The actor, critic, and observer structures are all implemented in real-time, continuously and simultaneously. Finally, simulation results are presented to demonstrate the effectiveness of the proposed control scheme.

  8. Switched-Observer-Based Adaptive Neural Control of MIMO Switched Nonlinear Systems With Unknown Control Gains.

    Science.gov (United States)

    Long, Lijun; Zhao, Jun

    2017-07-01

    In this paper, the problem of adaptive neural output-feedback control is addressed for a class of multi-input multioutput (MIMO) switched uncertain nonlinear systems with unknown control gains. Neural networks (NNs) are used to approximate unknown nonlinear functions. In order to avoid the conservativeness caused by adoption of a common observer for all subsystems, an MIMO NN switched observer is designed to estimate unmeasurable states. A new switched observer-based adaptive neural control technique for the problem studied is then provided by exploiting the classical average dwell time (ADT) method and the backstepping method and the Nussbaum gain technique. It effectively handles the obstacle about the coexistence of multiple Nussbaum-type function terms, and improves the classical ADT method, since the exponential decline property of Lyapunov functions for individual subsystems is no longer satisfied. It is shown that the technique proposed is able to guarantee semiglobal uniformly ultimately boundedness of all the signals in the closed-loop system under a class of switching signals with ADT, and the tracking errors converge to a small neighborhood of the origin. The effectiveness of the approach proposed is illustrated by its application to a two inverted pendulum system.

  9. Chronic kidney disease of unknown aetiology and ground-water ionicity: study based on Sri Lanka.

    Science.gov (United States)

    Dharma-Wardana, M W C; Amarasiri, Sarath L; Dharmawardene, Nande; Panabokke, C R

    2015-04-01

    High incidence of chronic kidney disease of unknown aetiology (CKDU) in Sri Lanka is shown to correlate with the presence of irrigation works and rivers that bring-in 'nonpoint source' fertilizer runoff from intensely agricultural regions. We review previous attempts to link CKDU with As, Cd and other standard toxins. Those studies (e.g. the WHO-sponsored study), while providing a wealth of data, are inconclusive in regard to aetiology. Here, we present new proposals based on increased ionicity of drinking water due to fertilizer runoff into the river system, redox processes in the soil and features of 'tank'-cascades and aquifers. The consequent chronic exposure to high ionicity in drinking water is proposed to debilitate the kidney via a Hofmeister-type (i.e. protein-denaturing) mechanism.

  10. Nonlinear unknown input sliding mode observer based chaotic system synchronization and message recovery scheme with uncertainty

    International Nuclear Information System (INIS)

    Sharma, Vivek; Sharma, B.B.; Nath, R.

    2017-01-01

    In the present manuscript, observer based synchronization and message recovery scheme is discussed for a system with uncertainties. LMI conditions are analytically derived solution of which gives the observer design matrices. Earlier approaches have used adaptive laws to address the uncertainties, however in present work, decoupling approach is used to make observer robust against uncertainties. The methodology requires upper bounds on nonlinearity and the message signal and estimates for these bounds are generated adaptively. Thus no information about the nature of nonlinearity and associated Lipschitz constant is needed in proposed approach. Message signal is recovered using equivalent output injection which is a low pass filtered equivalent of the discontinuous effort required to maintain the sliding motion. Finally, the efficacy of proposed Nonlinear Unknown Input Sliding Mode Observer (NUISMO) for chaotic communication is verified by conducting simulation studies on two chaotic systems i.e. third order Chua circuit and Rossler system.

  11. Root-MUSIC Based Angle Estimation for MIMO Radar with Unknown Mutual Coupling

    Directory of Open Access Journals (Sweden)

    Jianfeng Li

    2014-01-01

    Full Text Available Direction of arrival (DOA estimation problem for multiple-input multiple-output (MIMO radar with unknown mutual coupling is studied, and an algorithm for the DOA estimation based on root multiple signal classification (MUSIC is proposed. Firstly, according to the Toeplitz structure of the mutual coupling matrix, output data of some specified sensors are selected to eliminate the influence of the mutual coupling. Then the reduced-dimension transformation is applied to make the computation burden lower as well as obtain a Vandermonde structure of the direction matrix. Finally, Root-MUSIC can be adopted for the angle estimation. The angle estimation performance of the proposed algorithm is better than that of estimation of signal parameters via rotational invariance techniques (ESPRIT-like algorithm and MUSIC-like algorithm. Furthermore, the proposed algorithm has lower complexity than them. The simulation results verify the effectiveness of the algorithm, and the theoretical estimation error of the algorithm is also derived.

  12. Novel Diagonal Reloading Based Direction of Arrival Estimation in Unknown Non-Uniform Noise

    Directory of Open Access Journals (Sweden)

    Hao Zhou

    2018-01-01

    Full Text Available Nested array can expand the degrees of freedom (DOF from difference coarray perspective, but suffering from the performance degradation of direction of arrival (DOA estimation in unknown non-uniform noise. In this paper, a novel diagonal reloading (DR based DOA estimation algorithm is proposed using a recently developed nested MIMO array. The elements in the main diagonal of the sample covariance matrix are eliminated; next the smallest MN-K eigenvalues of the revised matrix are obtained and averaged to estimate the sum value of the signal power. Further the estimated sum value is filled into the main diagonal of the revised matrix for estimating the signal covariance matrix. In this case, the negative effect of noise is eliminated without losing the useful information of the signal matrix. Besides, the degrees of freedom are expanded obviously, resulting in the performance improvement. Several simulations are conducted to demonstrate the effectiveness of the proposed algorithm.

  13. Mapping of unknown industrial plant using ROS-based navigation mobile robot

    Science.gov (United States)

    Priyandoko, G.; Ming, T. Y.; Achmad, M. S. H.

    2017-10-01

    This research examines how humans work with teleoperated unmanned mobile robot inspection in industrial plant area resulting 2D/3D map for further critical evaluation. This experiment focuses on two parts, the way human-robot doing remote interactions using robust method and the way robot perceives the environment surround as a 2D/3D perspective map. ROS (robot operating system) as a tool was utilized in the development and implementation during the research which comes up with robust data communication method in the form of messages and topics. RGBD SLAM performs the visual mapping function to construct 2D/3D map using Kinect sensor. The results showed that the mobile robot-based teleoperated system are successful to extend human perspective in term of remote surveillance in large area of industrial plant. It was concluded that the proposed work is robust solution for large mapping within an unknown construction building.

  14. Can pluralistic approaches based upon unknown languages enhance learner engagement and lead to active social inclusion?

    Science.gov (United States)

    Dahm, Rebecca

    2017-08-01

    One way to foster active social inclusion is to enable students to develop a positive attitude to "foreignness". Creating a situation where mainstream students are less wary of foreign languages and cultures, and where newcomers feel their linguistic background is being valued, provides favourable conditions for the inclusion of these newcomers in the classroom and in society. However, language classrooms in French schools rarely take any previously acquired linguistic knowledge into account, thus unconsciously contributing to the rift between multilingual learners (e.g. 1st- and 2nd-generation immigrant children, refugees, children of parents with different mother tongues) and French learners. Native French learners' first experience of learning another language is usually when English is added as a subject to their curriculum in primary school. In some schools in France, English lessons now include the simulation of multilingual situations, designed in particular for the French "quasi-monolingual" students to lose their fear of unknown languages and "foreignness" in general. But the overall aim is to help both groups of learners become aware of the positive impact of multilingualism on cognitive abilities. However, to achieve long-term effects, this awareness-raising needs to be accompanied by maximum engagement on the part of the students. This article explores an instructional strategy termed Pluralistic Approaches based upon Unknown Languages (PAUL), which was designed to develop learning strategies of quasi-monolingual students in particular and to increase learner engagement more generally. The results of a small-scale PAUL study discussed by the author seem to confirm an increase in learner engagement leading to an enhancement of learning outcomes. Moreover, PAUL seems indeed suitable for helping to prepare the ground for social inclusion.

  15. Uav-Based Detection of Unknown Radioactive Biomass Deposits in Chernobyl's Exclusion Zone

    Science.gov (United States)

    Briechle, S.; Sizov, A.; Tretyak, O.; Antropov, V.; Molitor, N.; Krzystek, P.

    2018-05-01

    Shortly after the explosion of the Chernobyl nuclear power plant (ChNPP) in 1986, radioactive fall-out and contaminated trees (socalled Red Forest) were buried in the Chernobyl Exclusion Zone (ChEZ). These days, exact locations of the buried contaminated material are needed. Moreover, 3D vegetation maps are necessary to simulate the impact of tornados and forest fire. After 30 years, some of the so-called trenches and clamps are visible. However, some of them are overgrown and have slightly settled in the centimeter and decimeter range. This paper presents a pipeline that comprises 3D vegetation mapping and machine learning methods to precisely map trenches and clamps from remote sensing data. The dataset for our experiments consists of UAV-based LiDAR data, multi-spectral data, and aerial gamma-spectrometry data. Depending on the study areas overall accuracies ranging from 95.6 % to 99.0 % were reached for the classification of radioactive deposits. Our first results demonstrate an accurate and reliable UAV-based detection of unknown radioactive biomass deposits in the ChEZ.

  16. UAV-BASED DETECTION OF UNKNOWN RADIOACTIVE BIOMASS DEPOSITS IN CHERNOBYL’S EXCLUSION ZONE

    Directory of Open Access Journals (Sweden)

    S. Briechle

    2018-05-01

    Full Text Available Shortly after the explosion of the Chernobyl nuclear power plant (ChNPP in 1986, radioactive fall-out and contaminated trees (socalled Red Forest were buried in the Chernobyl Exclusion Zone (ChEZ. These days, exact locations of the buried contaminated material are needed. Moreover, 3D vegetation maps are necessary to simulate the impact of tornados and forest fire. After 30 years, some of the so-called trenches and clamps are visible. However, some of them are overgrown and have slightly settled in the centimeter and decimeter range. This paper presents a pipeline that comprises 3D vegetation mapping and machine learning methods to precisely map trenches and clamps from remote sensing data. The dataset for our experiments consists of UAV-based LiDAR data, multi-spectral data, and aerial gamma-spectrometry data. Depending on the study areas overall accuracies ranging from 95.6 % to 99.0 % were reached for the classification of radioactive deposits. Our first results demonstrate an accurate and reliable UAV-based detection of unknown radioactive biomass deposits in the ChEZ.

  17. A definition of unknown parent groups based on bull usage patterns across herds.

    Science.gov (United States)

    Bouquet, A; Renand, G; Phocas, F

    2011-03-01

    In genetic evaluations, the definition of unknown parent groups (UPG) is usually based on time periods, selection path and flows of foreign founders. The definition of UPG may be more complex for populations presenting genetic heterogeneity due to both, large national expansion and coexistence of artificial insemination (AI) and natural service (NS). A UPG definition method accounting for beef bull flows was proposed and applied to the French Charolais cattle population. It assumed that, at a given time period, unknown parents belonged to the same UPG when their progeny were bred in herds that used bulls with similar origins (birth region and reproduction way). Thus, the birth period, region and AI rate of a herd were pointed out to be the three criteria reflecting genetic disparities at the national level in a beef cattle population. To deal with regional genetic disparities, 14 regions were identified using a factorial approach combining principal component analysis and Ward clustering. The selection nucleus of the French cattle population was dispersed over three main breeding areas. Flows of NS bulls were mainly carried out within each breeding area. On the contrary, the use and the selection of AI bulls were based on a national pool of candidates. Within a time period, herds of different regions were clustered together when they used bulls coming from the same origin and with an estimated difference of genetic level lower than 20% of genetic standard deviation (σg) for calf muscle and skeleton scores (SS) at weaning. This led to the definition of 16 UPG of sires, which were validated as robust and relevant in a sire model, meaning numerically stable and corresponding to distinct genetic subpopulations. The UPG genetic levels were estimated for muscle and SS under sire and animal models. Whatever the trait, differences between bull UPG estimates within a time period could reach 0.5 σg across regions. For a given time period, bull UPG estimates for muscle and

  18. Calibration of Binocular Vision Sensors Based on Unknown-Sized Elliptical Stripe Images

    Directory of Open Access Journals (Sweden)

    Zhen Liu

    2017-12-01

    Full Text Available Most of the existing calibration methods for binocular stereo vision sensor (BSVS depend on a high-accuracy target with feature points that are difficult and costly to manufacture and. In complex light conditions, optical filters are used for BSVS, but they affect imaging quality. Hence, the use of a high-accuracy target with certain-sized feature points for calibration is not feasible under such complex conditions. To solve these problems, a calibration method based on unknown-sized elliptical stripe images is proposed. With known intrinsic parameters, the proposed method adopts the elliptical stripes located on the parallel planes as a medium to calibrate BSVS online. In comparison with the common calibration methods, the proposed method avoids utilizing high-accuracy target with certain-sized feature points. Therefore, the proposed method is not only easy to implement but is a realistic method for the calibration of BSVS with optical filter. Changing the size of elliptical curves projected on the target solves the difficulty of applying the proposed method in different fields of view and distances. Simulative and physical experiments are conducted to validate the efficiency of the proposed method. When the field of view is approximately 400 mm × 300 mm, the proposed method can reach a calibration accuracy of 0.03 mm, which is comparable with that of Zhang’s method.

  19. Performance study of LMS based adaptive algorithms for unknown system identification

    International Nuclear Information System (INIS)

    Javed, Shazia; Ahmad, Noor Atinah

    2014-01-01

    Adaptive filtering techniques have gained much popularity in the modeling of unknown system identification problem. These techniques can be classified as either iterative or direct. Iterative techniques include stochastic descent method and its improved versions in affine space. In this paper we present a comparative study of the least mean square (LMS) algorithm and some improved versions of LMS, more precisely the normalized LMS (NLMS), LMS-Newton, transform domain LMS (TDLMS) and affine projection algorithm (APA). The performance evaluation of these algorithms is carried out using adaptive system identification (ASI) model with random input signals, in which the unknown (measured) signal is assumed to be contaminated by output noise. Simulation results are recorded to compare the performance in terms of convergence speed, robustness, misalignment, and their sensitivity to the spectral properties of input signals. Main objective of this comparative study is to observe the effects of fast convergence rate of improved versions of LMS algorithms on their robustness and misalignment

  20. Performance study of LMS based adaptive algorithms for unknown system identification

    Energy Technology Data Exchange (ETDEWEB)

    Javed, Shazia; Ahmad, Noor Atinah [School of Mathematical Sciences, Universiti Sains Malaysia, 11800 Penang (Malaysia)

    2014-07-10

    Adaptive filtering techniques have gained much popularity in the modeling of unknown system identification problem. These techniques can be classified as either iterative or direct. Iterative techniques include stochastic descent method and its improved versions in affine space. In this paper we present a comparative study of the least mean square (LMS) algorithm and some improved versions of LMS, more precisely the normalized LMS (NLMS), LMS-Newton, transform domain LMS (TDLMS) and affine projection algorithm (APA). The performance evaluation of these algorithms is carried out using adaptive system identification (ASI) model with random input signals, in which the unknown (measured) signal is assumed to be contaminated by output noise. Simulation results are recorded to compare the performance in terms of convergence speed, robustness, misalignment, and their sensitivity to the spectral properties of input signals. Main objective of this comparative study is to observe the effects of fast convergence rate of improved versions of LMS algorithms on their robustness and misalignment.

  1. Structure-based inference of molecular functions of proteins of unknown function from Berkeley Structural Genomics Center

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sung-Hou; Shin, Dong Hae; Hou, Jingtong; Chandonia, John-Marc; Das, Debanu; Choi, In-Geol; Kim, Rosalind; Kim, Sung-Hou

    2007-09-02

    Advances in sequence genomics have resulted in an accumulation of a huge number of protein sequences derived from genome sequences. However, the functions of a large portion of them cannot be inferred based on the current methods of sequence homology detection to proteins of known functions. Three-dimensional structure can have an important impact in providing inference of molecular function (physical and chemical function) of a protein of unknown function. Structural genomics centers worldwide have been determining many 3-D structures of the proteins of unknown functions, and possible molecular functions of them have been inferred based on their structures. Combined with bioinformatics and enzymatic assay tools, the successful acceleration of the process of protein structure determination through high throughput pipelines enables the rapid functional annotation of a large fraction of hypothetical proteins. We present a brief summary of the process we used at the Berkeley Structural Genomics Center to infer molecular functions of proteins of unknown function.

  2. A novel KFCM based fault diagnosis method for unknown faults in satellite reaction wheels.

    Science.gov (United States)

    Hu, Di; Sarosh, Ali; Dong, Yun-Feng

    2012-03-01

    Reaction wheels are one of the most critical components of the satellite attitude control system, therefore correct diagnosis of their faults is quintessential for efficient operation of these spacecraft. The known faults in any of the subsystems are often diagnosed by supervised learning algorithms, however, this method fails to work correctly when a new or unknown fault occurs. In such cases an unsupervised learning algorithm becomes essential for obtaining the correct diagnosis. Kernel Fuzzy C-Means (KFCM) is one of the unsupervised algorithms, although it has its own limitations; however in this paper a novel method has been proposed for conditioning of KFCM method (C-KFCM) so that it can be effectively used for fault diagnosis of both known and unknown faults as in satellite reaction wheels. The C-KFCM approach involves determination of exact class centers from the data of known faults, in this way discrete number of fault classes are determined at the start. Similarity parameters are derived and determined for each of the fault data point. Thereafter depending on the similarity threshold each data point is issued with a class label. The high similarity points fall into one of the 'known-fault' classes while the low similarity points are labeled as 'unknown-faults'. Simulation results show that as compared to the supervised algorithm such as neural network, the C-KFCM method can effectively cluster historical fault data (as in reaction wheels) and diagnose the faults to an accuracy of more than 91%. Copyright © 2011 ISA. Published by Elsevier Ltd. All rights reserved.

  3. Unknown input observer based detection of sensor faults in a wind turbine

    DEFF Research Database (Denmark)

    Odgaard, Peter Fogh; Stoustrup, Jakob

    2010-01-01

    In this paper an unknown input observer is designed to detect three different sensor fault scenarios in a specified bench mark model for fault detection and accommodation of wind turbines. In this paper a subset of faults is dealt with, it are faults in the rotor and generator speed sensors as well...... as a converter sensor fault. The proposed scheme detects the speed sensor faults in question within the specified requirements given in the bench mark model, while the converter fault is detected but not within the required time to detect....

  4. Chaotic system optimal tracking using data-based synchronous method with unknown dynamics and disturbances

    International Nuclear Information System (INIS)

    Song Ruizhuo; Wei Qinglai

    2017-01-01

    We develop an optimal tracking control method for chaotic system with unknown dynamics and disturbances. The method allows the optimal cost function and the corresponding tracking control to update synchronously. According to the tracking error and the reference dynamics, the augmented system is constructed. Then the optimal tracking control problem is defined. The policy iteration (PI) is introduced to solve the min-max optimization problem. The off-policy adaptive dynamic programming (ADP) algorithm is then proposed to find the solution of the tracking Hamilton–Jacobi–Isaacs (HJI) equation online only using measured data and without any knowledge about the system dynamics. Critic neural network (CNN), action neural network (ANN), and disturbance neural network (DNN) are used to approximate the cost function, control, and disturbance. The weights of these networks compose the augmented weight matrix, and the uniformly ultimately bounded (UUB) of which is proven. The convergence of the tracking error system is also proven. Two examples are given to show the effectiveness of the proposed synchronous solution method for the chaotic system tracking problem. (paper)

  5. Tracking Control Based on Recurrent Neural Networks for Nonlinear Systems with Multiple Inputs and Unknown Deadzone

    Directory of Open Access Journals (Sweden)

    J. Humberto Pérez-Cruz

    2012-01-01

    Full Text Available This paper deals with the problem of trajectory tracking for a broad class of uncertain nonlinear systems with multiple inputs each one subject to an unknown symmetric deadzone. On the basis of a model of the deadzone as a combination of a linear term and a disturbance-like term, a continuous-time recurrent neural network is directly employed in order to identify the uncertain dynamics. By using a Lyapunov analysis, the exponential convergence of the identification error to a bounded zone is demonstrated. Subsequently, by a proper control law, the state of the neural network is compelled to follow a bounded reference trajectory. This control law is designed in such a way that the singularity problem is conveniently avoided and the exponential convergence to a bounded zone of the difference between the state of the neural identifier and the reference trajectory can be proven. Thus, the exponential convergence of the tracking error to a bounded zone and the boundedness of all closed-loop signals can be guaranteed. One of the main advantages of the proposed strategy is that the controller can work satisfactorily without any specific knowledge of an upper bound for the unmodeled dynamics and/or the disturbance term.

  6. N-grams Based Supervised Machine Learning Model for Mobile Agent Platform Protection against Unknown Malicious Mobile Agents

    Directory of Open Access Journals (Sweden)

    Pallavi Bagga

    2017-12-01

    Full Text Available From many past years, the detection of unknown malicious mobile agents before they invade the Mobile Agent Platform has been the subject of much challenging activity. The ever-growing threat of malicious agents calls for techniques for automated malicious agent detection. In this context, the machine learning (ML methods are acknowledged more effective than the Signature-based and Behavior-based detection methods. Therefore, in this paper, the prime contribution has been made to detect the unknown malicious mobile agents based on n-gram features and supervised ML approach, which has not been done so far in the sphere of the Mobile Agents System (MAS security. To carry out the study, the n-grams ranging from 3 to 9 are extracted from a dataset containing 40 malicious and 40 non-malicious mobile agents. Subsequently, the classification is performed using different classifiers. A nested 5-fold cross validation scheme is employed in order to avoid the biasing in the selection of optimal parameters of classifier. The observations of extensive experiments demonstrate that the work done in this paper is suitable for the task of unknown malicious mobile agent detection in a Mobile Agent Environment, and also adds the ML in the interest list of researchers dealing with MAS security.

  7. A learning-based semi-autonomous controller for robotic exploration of unknown disaster scenes while searching for victims.

    Science.gov (United States)

    Doroodgar, Barzin; Liu, Yugang; Nejat, Goldie

    2014-12-01

    Semi-autonomous control schemes can address the limitations of both teleoperation and fully autonomous robotic control of rescue robots in disaster environments by allowing a human operator to cooperate and share such tasks with a rescue robot as navigation, exploration, and victim identification. In this paper, we present a unique hierarchical reinforcement learning-based semi-autonomous control architecture for rescue robots operating in cluttered and unknown urban search and rescue (USAR) environments. The aim of the controller is to enable a rescue robot to continuously learn from its own experiences in an environment in order to improve its overall performance in exploration of unknown disaster scenes. A direction-based exploration technique is integrated in the controller to expand the search area of the robot via the classification of regions and the rubble piles within these regions. Both simulations and physical experiments in USAR-like environments verify the robustness of the proposed HRL-based semi-autonomous controller to unknown cluttered scenes with different sizes and varying types of configurations.

  8. Quinoline-Based Hybrid Compounds with Antimalarial Activity

    Directory of Open Access Journals (Sweden)

    Xhamla Nqoro

    2017-12-01

    Full Text Available The application of quinoline-based compounds for the treatment of malaria infections is hampered by drug resistance. Drug resistance has led to the combination of quinolines with other classes of antimalarials resulting in enhanced therapeutic outcomes. However, the combination of antimalarials is limited by drug-drug interactions. In order to overcome the aforementioned factors, several researchers have reported hybrid compounds prepared by reacting quinoline-based compounds with other compounds via selected functionalities. This review will focus on the currently reported quinoline-based hybrid compounds and their preclinical studies.

  9. Degradation of based EPDM dielectric compounds

    International Nuclear Information System (INIS)

    Galembeck, F.

    1988-01-01

    The stability of an EPDM compound used as power cables insulation was studied under various conditions of thermal stress. Changes in the dielectric and tensile strenght of the samples were found after the aging. Samples of the EPDM compound were analysed by spectroscopic (photoacoustic, IR) methods showing alterations in its components: Pb 3 O 4 is reduced to PbO and exsuded paraffin is oxidized. Methane is prevalent in the gaseous mixture released by the heated compound and analysed by Gas Chromatography. (author) [pt

  10. Learning to Grasp Unknown Objects Based on 3D Edge Information

    DEFF Research Database (Denmark)

    Bodenhagen, Leon; Kraft, Dirk; Popovic, Mila

    2010-01-01

    In this work we refine an initial grasping behavior based on 3D edge information by learning. Based on a set of autonomously generated evaluated grasps and relations between the semi-global 3D edges, a prediction function is learned that computes a likelihood for the success of a grasp using either...... an offline or an online learning scheme. Both methods are implemented using a hybrid artificial neural network containing standard nodes with a sigmoid activation function and nodes with a radial basis function. We show that a significant performance improvement can be achieved....

  11. Known Structure, Unknown Function: An Inquiry-Based Undergraduate Biochemistry Laboratory Course

    Science.gov (United States)

    Gray, Cynthia; Price, Carol W.; Lee, Christopher T.; Dewald, Alison H.; Cline, Matthew A.; McAnany, Charles E.; Columbus, Linda; Mura, Cameron

    2015-01-01

    Undergraduate biochemistry laboratory courses often do not provide students with an authentic research experience, particularly when the express purpose of the laboratory is purely instructional. However, an instructional laboratory course that is inquiry- and research-based could simultaneously impart scientific knowledge and foster a student's…

  12. Three coordination compounds based on benzene tetracarboxylate ...

    Indian Academy of Sciences (India)

    YUNLONG WU

    nescence, considerable attention has been focused on the construction of coordination .... measurements were performed on ground powder samples at .... Figure 2. (a) Coordination environment of Co1 ion in compound 2. (b) Coordination.

  13. Known structure, unknown function: An inquiry?based undergraduate biochemistry laboratory course

    OpenAIRE

    Gray, Cynthia; Price, Carol W.; Lee, Christopher T.; Dewald, Alison H.; Cline, Matthew A.; McAnany, Charles E.; Columbus, Linda; Mura, Cameron

    2015-01-01

    Abstract Undergraduate biochemistry laboratory courses often do not provide students with an authentic research experience, particularly when the express purpose of the laboratory is purely instructional. However, an instructional laboratory course that is inquiry? and research?based could simultaneously impart scientific knowledge and foster a student's research expertise and confidence. We have developed a year?long undergraduate biochemistry laboratory curriculum wherein students determine...

  14. Study of the unknown hemisphere of mercury by ground-based astronomical facilities

    Science.gov (United States)

    Ksanfomality, L. V.

    2011-08-01

    The short exposure method proved to be very productive in ground-based observations of Mercury. Telescopic observations with short exposures, together with computer codes for the processing of data arrays of many thousands of original electronic photos, make it possible to improve the resolution of images from ground-based instruments to almost the diffraction limit. The resulting composite images are comparable with images from spacecrafts approaching from a distance of about 1 million km. This paper presents images of the hemisphere of Mercury in longitude sectors 90°-180°W, 215°-350°W, and 50°-90°W, including, among others, areas not covered by spacecraft cameras. For the first time a giant S basin was discovered in the sector of longitudes 250°-290°W, which is the largest formation of this type on terrestrial planets. Mercury has a strong phase effects. As a result, the view of the surface changes completely with the change in the planetary phase. But the choice of the phase in the study using spacecrafts is limited by orbital characteristics of the mission. Thus, ground-based observations of the planet provide a valuable support.

  15. Typing of unknown microorganisms based on quantitative analysis of fatty acids by mass spectrometry and hierarchical clustering

    Energy Technology Data Exchange (ETDEWEB)

    Li Tingting; Dai Ling; Li Lun; Hu Xuejiao; Dong Linjie; Li Jianjian; Salim, Sule Khalfan; Fu Jieying [Key Laboratory of Pesticides and Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan, Hubei 430079 (China); Zhong Hongying, E-mail: hyzhong@mail.ccnu.edu.cn [Key Laboratory of Pesticides and Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan, Hubei 430079 (China)

    2011-01-17

    Rapid identification of unknown microorganisms of clinical and agricultural importance is not only critical for accurate diagnosis of infections but also essential for appropriate and prompt treatment. We describe here a rapid method for microorganisms typing based on quantitative analysis of fatty acids by iFAT approach (Isotope-coded Fatty Acid Transmethylation). In this work, lyophilized cell lysates were directly mixed with 0.5 M NaOH solution in d3-methanol and n-hexane. After 1 min of ultrasonication, the top n-hexane layer was combined with a mixture of standard d0-methanol derived fatty acid methylesters with known concentration. Measurement of intensity ratios of d3/d0 labeled fragment ion and molecular ion pairs at the corresponding target fatty acids provides a quantitative basis for hierarchical clustering. In the resultant dendrogram, the Euclidean distance between unknown species and known species quantitatively reveals their differences or shared similarities in fatty acid related pathways. It is of particular interest to apply this method for typing fungal species because fungi has distinguished lipid biosynthetic pathways that have been targeted for lots of drugs or fungicides compared with bacteria and animals. The proposed method has no dependence on the availability of genome or proteome databases. Therefore, it is can be applicable for a broad range of unknown microorganisms or mutant species.

  16. Known structure, unknown function: An inquiry‐based undergraduate biochemistry laboratory course

    Science.gov (United States)

    Gray, Cynthia; Price, Carol W.; Lee, Christopher T.; Dewald, Alison H.; Cline, Matthew A.; McAnany, Charles E.

    2015-01-01

    Abstract Undergraduate biochemistry laboratory courses often do not provide students with an authentic research experience, particularly when the express purpose of the laboratory is purely instructional. However, an instructional laboratory course that is inquiry‐ and research‐based could simultaneously impart scientific knowledge and foster a student's research expertise and confidence. We have developed a year‐long undergraduate biochemistry laboratory curriculum wherein students determine, via experiment and computation, the function of a protein of known three‐dimensional structure. The first half of the course is inquiry‐based and modular in design; students learn general biochemical techniques while gaining preparation for research experiments in the second semester. Having learned standard biochemical methods in the first semester, students independently pursue their own (original) research projects in the second semester. This new curriculum has yielded an improvement in student performance and confidence as assessed by various metrics. To disseminate teaching resources to students and instructors alike, a freely accessible Biochemistry Laboratory Education resource is available at http://biochemlab.org. © 2015 The Authors Biochemistry and Molecular Biology Education published by Wiley Periodicals, Inc. on behalf of International Union of Biochemistry and Molecular Biology, 43(4):245–262, 2015. PMID:26148241

  17. Known structure, unknown function: An inquiry-based undergraduate biochemistry laboratory course.

    Science.gov (United States)

    Gray, Cynthia; Price, Carol W; Lee, Christopher T; Dewald, Alison H; Cline, Matthew A; McAnany, Charles E; Columbus, Linda; Mura, Cameron

    2015-01-01

    Undergraduate biochemistry laboratory courses often do not provide students with an authentic research experience, particularly when the express purpose of the laboratory is purely instructional. However, an instructional laboratory course that is inquiry- and research-based could simultaneously impart scientific knowledge and foster a student's research expertise and confidence. We have developed a year-long undergraduate biochemistry laboratory curriculum wherein students determine, via experiment and computation, the function of a protein of known three-dimensional structure. The first half of the course is inquiry-based and modular in design; students learn general biochemical techniques while gaining preparation for research experiments in the second semester. Having learned standard biochemical methods in the first semester, students independently pursue their own (original) research projects in the second semester. This new curriculum has yielded an improvement in student performance and confidence as assessed by various metrics. To disseminate teaching resources to students and instructors alike, a freely accessible Biochemistry Laboratory Education resource is available at http://biochemlab.org. © 2015 The Authors Biochemistry and Molecular Biology Education published by Wiley Periodicals, Inc. on behalf of International Union of Biochemistry and Molecular Biology.

  18. Fisheye-Based Method for GPS Localization Improvement in Unknown Semi-Obstructed Areas

    Directory of Open Access Journals (Sweden)

    Julien Moreau

    2017-01-01

    Full Text Available A precise GNSS (Global Navigation Satellite System localization is vital for autonomous road vehicles, especially in cluttered or urban environments where satellites are occluded, preventing accurate positioning. We propose to fuse GPS (Global Positioning System data with fisheye stereovision to face this problem independently to additional data, possibly outdated, unavailable, and needing correlation with reality. Our stereoscope is sky-facing with 360° × 180° fisheye cameras to observe surrounding obstacles. We propose a 3D modelling and plane extraction through following steps: stereoscope self-calibration for decalibration robustness, stereo matching considering neighbours epipolar curves to compute 3D, and robust plane fitting based on generated cartography and Hough transform. We use these 3D data with GPS raw data to estimate NLOS (Non Line Of Sight reflected signals pseudorange delay. We exploit extracted planes to build a visibility mask for NLOS detection. A simplified 3D canyon model allows to compute reflections pseudorange delays. In the end, GPS positioning is computed considering corrected pseudoranges. With experimentations on real fixed scenes, we show generated 3D models reaching metric accuracy and improvement of horizontal GPS positioning accuracy by more than 50%. The proposed procedure is effective, and the proposed NLOS detection outperforms CN0-based methods (Carrier-to-receiver Noise density.

  19. Using model-based screening to help discover unknown environmental contaminants.

    Science.gov (United States)

    McLachlan, Michael S; Kierkegaard, Amelie; Radke, Michael; Sobek, Anna; Malmvärn, Anna; Alsberg, Tomas; Arnot, Jon A; Brown, Trevor N; Wania, Frank; Breivik, Knut; Xu, Shihe

    2014-07-01

    Of the tens of thousands of chemicals in use, only a small fraction have been analyzed in environmental samples. To effectively identify environmental contaminants, methods to prioritize chemicals for analytical method development are required. We used a high-throughput model of chemical emissions, fate, and bioaccumulation to identify chemicals likely to have high concentrations in specific environmental media, and we prioritized these for target analysis. This model-based screening was applied to 215 organosilicon chemicals culled from industrial chemical production statistics. The model-based screening prioritized several recognized organosilicon contaminants and generated hypotheses leading to the selection of three chemicals that have not previously been identified as potential environmental contaminants for target analysis. Trace analytical methods were developed, and the chemicals were analyzed in air, sewage sludge, and sediment. All three substances were found to be environmental contaminants. Phenyl-tris(trimethylsiloxy)silane was present in all samples analyzed, with concentrations of ∼50 pg m(-3) in Stockholm air and ∼0.5 ng g(-1) dw in sediment from the Stockholm archipelago. Tris(trifluoropropyl)trimethyl-cyclotrisiloxane and tetrakis(trifluoropropyl)tetramethyl-cyclotetrasiloxane were found in sediments from Lake Mjøsa at ∼1 ng g(-1) dw. The discovery of three novel environmental contaminants shows that models can be useful for prioritizing chemicals for exploratory assessment.

  20. Actor-critic-based optimal tracking for partially unknown nonlinear discrete-time systems.

    Science.gov (United States)

    Kiumarsi, Bahare; Lewis, Frank L

    2015-01-01

    This paper presents a partially model-free adaptive optimal control solution to the deterministic nonlinear discrete-time (DT) tracking control problem in the presence of input constraints. The tracking error dynamics and reference trajectory dynamics are first combined to form an augmented system. Then, a new discounted performance function based on the augmented system is presented for the optimal nonlinear tracking problem. In contrast to the standard solution, which finds the feedforward and feedback terms of the control input separately, the minimization of the proposed discounted performance function gives both feedback and feedforward parts of the control input simultaneously. This enables us to encode the input constraints into the optimization problem using a nonquadratic performance function. The DT tracking Bellman equation and tracking Hamilton-Jacobi-Bellman (HJB) are derived. An actor-critic-based reinforcement learning algorithm is used to learn the solution to the tracking HJB equation online without requiring knowledge of the system drift dynamics. That is, two neural networks (NNs), namely, actor NN and critic NN, are tuned online and simultaneously to generate the optimal bounded control policy. A simulation example is given to show the effectiveness of the proposed method.

  1. Minimal-Approximation-Based Distributed Consensus Tracking of a Class of Uncertain Nonlinear Multiagent Systems With Unknown Control Directions.

    Science.gov (United States)

    Choi, Yun Ho; Yoo, Sung Jin

    2017-03-28

    A minimal-approximation-based distributed adaptive consensus tracking approach is presented for strict-feedback multiagent systems with unknown heterogeneous nonlinearities and control directions under a directed network. Existing approximation-based consensus results for uncertain nonlinear multiagent systems in lower-triangular form have used multiple function approximators in each local controller to approximate unmatched nonlinearities of each follower. Thus, as the follower's order increases, the number of the approximators used in its local controller increases. However, the proposed approach employs only one function approximator to construct the local controller of each follower regardless of the order of the follower. The recursive design methodology using a new error transformation is derived for the proposed minimal-approximation-based design. Furthermore, a bounding lemma on parameters of Nussbaum functions is presented to handle the unknown control direction problem in the minimal-approximation-based distributed consensus tracking framework and the stability of the overall closed-loop system is rigorously analyzed in the Lyapunov sense.

  2. A Large Group Decision Making Approach Based on TOPSIS Framework with Unknown Weights Information

    Directory of Open Access Journals (Sweden)

    Li Yupeng

    2017-01-01

    Full Text Available Large group decision making considering multiple attributes is imperative in many decision areas. The weights of the decision makers (DMs is difficult to obtain for the large number of DMs. To cope with this issue, an integrated multiple-attributes large group decision making framework is proposed in this article. The fuzziness and hesitation of the linguistic decision variables are described by interval-valued intuitionistic fuzzy sets. The weights of the DMs are optimized by constructing a non-linear programming model, in which the original decision matrices are aggregated by using the interval-valued intuitionistic fuzzy weighted average operator. By solving the non-linear programming model with MATLAB®, the weights of the DMs and the fuzzy comprehensive decision matrix are determined. Then the weights of the criteria are calculated based on the information entropy theory. At last, the TOPSIS framework is employed to establish the decision process. The divergence between interval-valued intuitionistic fuzzy numbers is calculated by interval-valued intuitionistic fuzzy cross entropy. A real-world case study is constructed to elaborate the feasibility and effectiveness of the proposed methodology.

  3. Modern materials based on refractory compounds

    International Nuclear Information System (INIS)

    Kosolapova, T.Ya.

    1979-01-01

    Discussed are the existing methods for synthesizing powders of binary refractory compounds and high-productivity techniques which hold promise as regards the manufacture of highly disperse and pure powders. Plasmochemical synthesis is shown to be an effective method for obtaining practically all carbides, nitrides and borides. A description is given of three main methods for obtaining single crystals of refractory compounds (TiN, TiC, ZrC, ZrB 2 , NbC) fairly perfect in structure and composition. These processes include deposition from vapour-gas phase, melting in arc plasma and crystallization from solutions in metallic melts. The advantages have been shown of the self-propagating high-temperature synthesis of refractory compounds, ensuring the manufacture of products, close in composition to stoichiometric ones simultaneously with forming of items. Mechanical, thermal, abrasive, and resistive characteristics of the above materials are presented

  4. Adaptive Actor-Critic Design-Based Integral Sliding-Mode Control for Partially Unknown Nonlinear Systems With Input Disturbances.

    Science.gov (United States)

    Fan, Quan-Yong; Yang, Guang-Hong

    2016-01-01

    This paper is concerned with the problem of integral sliding-mode control for a class of nonlinear systems with input disturbances and unknown nonlinear terms through the adaptive actor-critic (AC) control method. The main objective is to design a sliding-mode control methodology based on the adaptive dynamic programming (ADP) method, so that the closed-loop system with time-varying disturbances is stable and the nearly optimal performance of the sliding-mode dynamics can be guaranteed. In the first step, a neural network (NN)-based observer and a disturbance observer are designed to approximate the unknown nonlinear terms and estimate the input disturbances, respectively. Based on the NN approximations and disturbance estimations, the discontinuous part of the sliding-mode control is constructed to eliminate the effect of the disturbances and attain the expected equivalent sliding-mode dynamics. Then, the ADP method with AC structure is presented to learn the optimal control for the sliding-mode dynamics online. Reconstructed tuning laws are developed to guarantee the stability of the sliding-mode dynamics and the convergence of the weights of critic and actor NNs. Finally, the simulation results are presented to illustrate the effectiveness of the proposed method.

  5. Performance Analysis of Blind Subspace-Based Signature Estimation Algorithms for DS-CDMA Systems with Unknown Correlated Noise

    Science.gov (United States)

    Zarifi, Keyvan; Gershman, Alex B.

    2006-12-01

    We analyze the performance of two popular blind subspace-based signature waveform estimation techniques proposed by Wang and Poor and Buzzi and Poor for direct-sequence code division multiple-access (DS-CDMA) systems with unknown correlated noise. Using the first-order perturbation theory, analytical expressions for the mean-square error (MSE) of these algorithms are derived. We also obtain simple high SNR approximations of the MSE expressions which explicitly clarify how the performance of these techniques depends on the environmental parameters and how it is related to that of the conventional techniques that are based on the standard white noise assumption. Numerical examples further verify the consistency of the obtained analytical results with simulation results.

  6. A highly precise frequency-based method for estimating the tension of an inclined cable with unknown boundary conditions

    Science.gov (United States)

    Ma, Lin

    2017-11-01

    This paper develops a method for precisely determining the tension of an inclined cable with unknown boundary conditions. First, the nonlinear motion equation of an inclined cable is derived, and a numerical model of the motion of the cable is proposed using the finite difference method. The proposed numerical model includes the sag-extensibility, flexural stiffness, inclination angle and rotational stiffness at two ends of the cable. Second, the influence of the dynamic parameters of the cable on its frequencies is discussed in detail, and a method for precisely determining the tension of an inclined cable is proposed based on the derivatives of the eigenvalues of the matrices. Finally, a multiparameter identification method is developed that can simultaneously identify multiple parameters, including the rotational stiffness at two ends. This scheme is applicable to inclined cables with varying sag, varying flexural stiffness and unknown boundary conditions. Numerical examples indicate that the method provides good precision. Because the parameters of cables other than tension (e.g., the flexural stiffness and rotational stiffness at the ends) are not accurately known in practical engineering, the multiparameter identification method could further improve the accuracy of cable tension measurements.

  7. Robotic Services at Home: An Initialization System Based on Robots' Information and User Preferences in Unknown Environments

    Directory of Open Access Journals (Sweden)

    Nor Nur Safwati Mohd

    2014-07-01

    Full Text Available One important issue in robotic services is the construction of the robotic system in the actual environment. In other words, robots must perform environment sensing or have information on real objects, such as location and 3D dimensions, in order to live together with humans. It is crucial to have a mechanism to create an actual robotic system (intelligent space such that there is no initialization framework for the objects in the environment, or we have to perform SLAM and object recognition as well as mapping to generate a useful environmental database. In intelligent space research, normally the objects are attached to various sensors in order to extract the necessary information. However, that approach will highly depend on sensor accuracy and the robotic system will be burdened if there are too many sensors in an environment. Therefore, in this paper we present a system in which a robot can obtain information about an object and even create the furniture layout map for an unknown environment. Our approach is intended to improve home-based robotic services by taking into account the user or individual preferences for the Intelligent Space (IS. With this information, we can create an informational map of the home-based environment for the realization of robot assistance of humans in their daily activities at home, especially for disabled people. The result shows the system design and development in our approach by using model-based system engineering.

  8. APPROACH ON INTELLIGENT OPTIMIZATION DESIGN BASED ON COMPOUND KNOWLEDGE

    Institute of Scientific and Technical Information of China (English)

    Yao Jianchu; Zhou Ji; Yu Jun

    2003-01-01

    A concept of an intelligent optimal design approach is proposed, which is organized by a kind of compound knowledge model. The compound knowledge consists of modularized quantitative knowledge, inclusive experience knowledge and case-based sample knowledge. By using this compound knowledge model, the abundant quantity information of mathematical programming and the symbolic knowledge of artificial intelligence can be united together in this model. The intelligent optimal design model based on such a compound knowledge and the automatically generated decomposition principles based on it are also presented. Practically, it is applied to the production planning, process schedule and optimization of production process of a refining & chemical work and a great profit is achieved. Specially, the methods and principles are adaptable not only to continuous process industry, but also to discrete manufacturing one.

  9. Sliding Mode Observer-Based Current Sensor Fault Reconstruction and Unknown Load Disturbance Estimation for PMSM Driven System.

    Science.gov (United States)

    Zhao, Kaihui; Li, Peng; Zhang, Changfan; Li, Xiangfei; He, Jing; Lin, Yuliang

    2017-12-06

    This paper proposes a new scheme of reconstructing current sensor faults and estimating unknown load disturbance for a permanent magnet synchronous motor (PMSM)-driven system. First, the original PMSM system is transformed into two subsystems; the first subsystem has unknown system load disturbances, which are unrelated to sensor faults, and the second subsystem has sensor faults, but is free from unknown load disturbances. Introducing a new state variable, the augmented subsystem that has sensor faults can be transformed into having actuator faults. Second, two sliding mode observers (SMOs) are designed: the unknown load disturbance is estimated by the first SMO in the subsystem, which has unknown load disturbance, and the sensor faults can be reconstructed using the second SMO in the augmented subsystem, which has sensor faults. The gains of the proposed SMOs and their stability analysis are developed via the solution of linear matrix inequality (LMI). Finally, the effectiveness of the proposed scheme was verified by simulations and experiments. The results demonstrate that the proposed scheme can reconstruct current sensor faults and estimate unknown load disturbance for the PMSM-driven system.

  10. The volatile compound BinBase mass spectral database.

    Science.gov (United States)

    Skogerson, Kirsten; Wohlgemuth, Gert; Barupal, Dinesh K; Fiehn, Oliver

    2011-08-04

    Volatile compounds comprise diverse chemical groups with wide-ranging sources and functions. These compounds originate from major pathways of secondary metabolism in many organisms and play essential roles in chemical ecology in both plant and animal kingdoms. In past decades, sampling methods and instrumentation for the analysis of complex volatile mixtures have improved; however, design and implementation of database tools to process and store the complex datasets have lagged behind. The volatile compound BinBase (vocBinBase) is an automated peak annotation and database system developed for the analysis of GC-TOF-MS data derived from complex volatile mixtures. The vocBinBase DB is an extension of the previously reported metabolite BinBase software developed to track and identify derivatized metabolites. The BinBase algorithm uses deconvoluted spectra and peak metadata (retention index, unique ion, spectral similarity, peak signal-to-noise ratio, and peak purity) from the Leco ChromaTOF software, and annotates peaks using a multi-tiered filtering system with stringent thresholds. The vocBinBase algorithm assigns the identity of compounds existing in the database. Volatile compound assignments are supported by the Adams mass spectral-retention index library, which contains over 2,000 plant-derived volatile compounds. Novel molecules that are not found within vocBinBase are automatically added using strict mass spectral and experimental criteria. Users obtain fully annotated data sheets with quantitative information for all volatile compounds for studies that may consist of thousands of chromatograms. The vocBinBase database may also be queried across different studies, comprising currently 1,537 unique mass spectra generated from 1.7 million deconvoluted mass spectra of 3,435 samples (18 species). Mass spectra with retention indices and volatile profiles are available as free download under the CC-BY agreement (http://vocbinbase.fiehnlab.ucdavis.edu). The BinBase

  11. The volatile compound BinBase mass spectral database

    Directory of Open Access Journals (Sweden)

    Barupal Dinesh K

    2011-08-01

    Full Text Available Abstract Background Volatile compounds comprise diverse chemical groups with wide-ranging sources and functions. These compounds originate from major pathways of secondary metabolism in many organisms and play essential roles in chemical ecology in both plant and animal kingdoms. In past decades, sampling methods and instrumentation for the analysis of complex volatile mixtures have improved; however, design and implementation of database tools to process and store the complex datasets have lagged behind. Description The volatile compound BinBase (vocBinBase is an automated peak annotation and database system developed for the analysis of GC-TOF-MS data derived from complex volatile mixtures. The vocBinBase DB is an extension of the previously reported metabolite BinBase software developed to track and identify derivatized metabolites. The BinBase algorithm uses deconvoluted spectra and peak metadata (retention index, unique ion, spectral similarity, peak signal-to-noise ratio, and peak purity from the Leco ChromaTOF software, and annotates peaks using a multi-tiered filtering system with stringent thresholds. The vocBinBase algorithm assigns the identity of compounds existing in the database. Volatile compound assignments are supported by the Adams mass spectral-retention index library, which contains over 2,000 plant-derived volatile compounds. Novel molecules that are not found within vocBinBase are automatically added using strict mass spectral and experimental criteria. Users obtain fully annotated data sheets with quantitative information for all volatile compounds for studies that may consist of thousands of chromatograms. The vocBinBase database may also be queried across different studies, comprising currently 1,537 unique mass spectra generated from 1.7 million deconvoluted mass spectra of 3,435 samples (18 species. Mass spectra with retention indices and volatile profiles are available as free download under the CC-BY agreement (http

  12. Development and validation of a novel algorithm based on the ECG magnet response for rapid identification of any unknown pacemaker.

    Science.gov (United States)

    Squara, Fabien; Chik, William W; Benhayon, Daniel; Maeda, Shingo; Latcu, Decebal Gabriel; Lacaze-Gadonneix, Jonathan; Tibi, Thierry; Thomas, Olivier; Cooper, Joshua M; Duthoit, Guillaume

    2014-08-01

    Pacemaker (PM) interrogation requires correct manufacturer identification. However, an unidentified PM is a frequent occurrence, requiring time-consuming steps to identify the device. The purpose of this study was to develop and validate a novel algorithm for PM manufacturer identification, using the ECG response to magnet application. Data on the magnet responses of all recent PM models (≤15 years) from the 5 major manufacturers were collected. An algorithm based on the ECG response to magnet application to identify the PM manufacturer was subsequently developed. Patients undergoing ECG during magnet application in various clinical situations were prospectively recruited in 7 centers. The algorithm was applied in the analysis of every ECG by a cardiologist blinded to PM information. A second blinded cardiologist analyzed a sample of randomly selected ECGs in order to assess the reproducibility of the results. A total of 250 ECGs were analyzed during magnet application. The algorithm led to the correct single manufacturer choice in 242 ECGs (96.8%), whereas 7 (2.8%) could only be narrowed to either 1 of 2 manufacturer possibilities. Only 2 (0.4%) incorrect manufacturer identifications occurred. The algorithm identified Medtronic and Sorin Group PMs with 100% sensitivity and specificity, Biotronik PMs with 100% sensitivity and 99.5% specificity, and St. Jude and Boston Scientific PMs with 92% sensitivity and 100% specificity. The results were reproducible between the 2 blinded cardiologists with 92% concordant findings. Unknown PM manufacturers can be accurately identified by analyzing the ECG magnet response using this newly developed algorithm. Copyright © 2014 Heart Rhythm Society. Published by Elsevier Inc. All rights reserved.

  13. A fluorescence-based rapid screening assay for cytotoxic compounds

    International Nuclear Information System (INIS)

    Montoya, Jessica; Varela-Ramirez, Armando; Estrada, Abril; Martinez, Luis E.; Garza, Kristine; Aguilera, Renato J.

    2004-01-01

    A simple fluorescence-based assay was developed for the rapid screening of potential cytotoxic compounds generated by combinatorial chemistry. The assay is based on detection of nuclear green fluorescent protein (GFP) staining of a human cervical cancer cell line (HeLa) carrying an integrated histone H2B-GFP fusion gene. Addition of a cytotoxic compound to the HeLa-GFP cells results in the eventual degradation of DNA and loss of the GFP nuclear fluorescence. Using this assay, we screened 11 distinct quinone derivatives and found that several of these compounds were cytotoxic. These compounds are structurally related to plumbagin an apoptosis-inducing naphthoquinone isolated from Black Walnut. In order to determine the mechanism by which cell death was induced, we performed additional experiments with the most cytotoxic quinones. These compounds were found to induce morphological changes (blebbing and nuclear condensation) consistent with induction of apoptosis. Additional tests revealed that the cytotoxic compounds induce both necrotic and apoptotic modes of death

  14. Design of cinnamaldehyde amino acid Schiff base compounds based on the quantitative structure–activity relationship

    Science.gov (United States)

    Hui Wang; Mingyue Jiang; Shujun Li; Chung-Yun Hse; Chunde Jin; Fangli Sun; Zhuo Li

    2017-01-01

    Cinnamaldehyde amino acid Schiff base (CAAS) is a new class of safe, bioactive compounds which could be developed as potential antifungal agents for fungal infections. To design new cinnamaldehyde amino acid Schiff base compounds with high bioactivity, the quantitative structure–activity relationships (QSARs) for CAAS compounds against Aspergillus niger (A. niger) and...

  15. Biotin IgM Antibodies in Human Blood: A Previously Unknown Factor Eliciting False Results in Biotinylation-Based Immunoassays

    Science.gov (United States)

    Chen, Tingting; Hedman, Lea; Mattila, Petri S.; Jartti, Laura; Jartti, Tuomas; Ruuskanen, Olli; Söderlund-Venermo, Maria; Hedman, Klaus

    2012-01-01

    Biotin is an essential vitamin that binds streptavidin or avidin with high affinity and specificity. As biotin is a small molecule that can be linked to proteins without affecting their biological activity, biotinylation is applied widely in biochemical assays. In our laboratory, IgM enzyme immuno assays (EIAs) of µ-capture format have been set up against many viruses, using as antigen biotinylated virus like particles (VLPs) detected by horseradish peroxidase-conjugated streptavidin. We recently encountered one serum sample reacting with the biotinylated VLP but not with the unbiotinylated one, suggesting in human sera the occurrence of biotin-reactive antibodies. In the present study, we search the general population (612 serum samples from adults and 678 from children) for IgM antibodies reactive with biotin and develop an indirect EIA for quantification of their levels and assessment of their seroprevalence. These IgM antibodies were present in 3% adults regardless of age, but were rarely found in children. The adverse effects of the biotin IgM on biotinylation-based immunoassays were assessed, including four inhouse and one commercial virus IgM EIAs, showing that biotin IgM do cause false positivities. The biotin can not bind IgM and streptavidin or avidin simultaneously, suggesting that these biotin-interactive compounds compete for the common binding site. In competitive inhibition assays, the affinities of biotin IgM antibodies ranged from 2.1×10−3 to 1.7×10−4 mol/L. This is the first report on biotin antibodies found in humans, providing new information on biotinylation-based immunoassays as well as new insights into the biomedical effects of vitamins. PMID:22879954

  16. Synergy Maps: exploring compound combinations using network-based visualization.

    Science.gov (United States)

    Lewis, Richard; Guha, Rajarshi; Korcsmaros, Tamás; Bender, Andreas

    2015-01-01

    The phenomenon of super-additivity of biological response to compounds applied jointly, termed synergy, has the potential to provide many therapeutic benefits. Therefore, high throughput screening of compound combinations has recently received a great deal of attention. Large compound libraries and the feasibility of all-pairs screening can easily generate large, information-rich datasets. Previously, these datasets have been visualized using either a heat-map or a network approach-however these visualizations only partially represent the information encoded in the dataset. A new visualization technique for pairwise combination screening data, termed "Synergy Maps", is presented. In a Synergy Map, information about the synergistic interactions of compounds is integrated with information about their properties (chemical structure, physicochemical properties, bioactivity profiles) to produce a single visualization. As a result the relationships between compound and combination properties may be investigated simultaneously, and thus may afford insight into the synergy observed in the screen. An interactive web app implementation, available at http://richlewis42.github.io/synergy-maps, has been developed for public use, which may find use in navigating and filtering larger scale combination datasets. This tool is applied to a recent all-pairs dataset of anti-malarials, tested against Plasmodium falciparum, and a preliminary analysis is given as an example, illustrating the disproportionate synergism of histone deacetylase inhibitors previously described in literature, as well as suggesting new hypotheses for future investigation. Synergy Maps improve the state of the art in compound combination visualization, by simultaneously representing individual compound properties and their interactions. The web-based tool allows straightforward exploration of combination data, and easier identification of correlations between compound properties and interactions.

  17. Structure-Based Virtual Screening of Commercially Available Compound Libraries.

    Science.gov (United States)

    Kireev, Dmitri

    2016-01-01

    Virtual screening (VS) is an efficient hit-finding tool. Its distinctive strength is that it allows one to screen compound libraries that are not available in the lab. Moreover, structure-based (SB) VS also enables an understanding of how the hit compounds bind the protein target, thus laying ground work for the rational hit-to-lead progression. SBVS requires a very limited experimental effort and is particularly well suited for academic labs and small biotech companies that, unlike pharmaceutical companies, do not have physical access to quality small-molecule libraries. Here, we describe SBVS of commercial compound libraries for Mer kinase inhibitors. The screening protocol relies on the docking algorithm Glide complemented by a post-docking filter based on structural protein-ligand interaction fingerprints (SPLIF).

  18. Phosphorus-based compounds for EUV multilayer optics materials

    NARCIS (Netherlands)

    Medvedev, Viacheslav; Yakshin, Andrey; van de Kruijs, Robbert Wilhelmus Elisabeth; Bijkerk, Frederik

    2015-01-01

    We have evaluated the prospects of phosphorus-based compounds in extreme ultraviolet multilayer optics. Boron phosphide (BP) is suggested to be used as a spacer material in reflective multilayer optics operating just above the L-photoabsorption edge of P (λ ≈9.2 nm). Mo, Ag, Ru, Rh, and Pd were

  19. High-Tc Superconductors Based on FeAs Compounds

    CERN Document Server

    Izyumov, Yuri

    2010-01-01

    Physical properties and models of electronic structure are analyzed for a new class of high-TC superconductors which belong to iron-based layered compounds. Despite their variable chemical composition and differences in the crystal structure, these compounds possess similar physical characteristics, due to electron carriers in the FeAs layers and the interaction of these carriers with fluctuations of the magnetic order. A tremendous interest towards these materials is explained by the prospects of their practical use. In this monograph, a full picture of the formation of physical properties of these materials, in the context of existing theory models and electron structure studies, is given. The book is aimed at a broad circle of readers: physicists who study electronic properties of the FeAs compounds, chemists who synthesize them and specialists in the field of electronic structure calculations in solids. It is helpful not only to researchers active in the fields of superconductivity and magnetism, but also...

  20. Synthesis and anticonvulsant activity of certain chalcone based pyrazoline compounds

    Directory of Open Access Journals (Sweden)

    Sudhakara Rao Gerapati

    2015-09-01

    Full Text Available Convulsions are involuntary, violent, spasmodic and prolonged contractions of skeletal muscles. That means a patient may have epilepsy without convulsions and vice versa. Epilepsy is a common neurological abnormality affecting about 1% of the world population. The primary objectives of these synthesized compounds are to suppress seizures and provide neuroprotection by minimizing the effects from seizure attacks. Here some of the chalcones and chalcone based various pyrazolines were evaluated for anticonvulsant activity. Their structures have been elucidated on the basis of elemental analyses and spectroscopic studies (IR, 1H-NMR & Mass spectroscopy. A preliminary evaluation of the prepared compounds has indicated that some of them exhibit moderate to significant anticonvulsant activity compared to a diazepam standard1-3.  All compounds were tested for their anticonvulsant activity using maximal electroshock induced convulsions (MES in mice at a dose level of 4 mg/kg.b.w. The compounds  Ph1, Ph2 , Py2 ,Py3 and Py4 have shown  to  good anticonvulsant activity when doses are administered as 25mg/ kg.b.w  , reduced the phases of seizures severity and  found to be active and also  increased survival rate. Remaining compounds are less efficacious.

  1. Automated procedure for candidate compound selection in GCMS metabolomics based on prediction of Kovats retention index

    NARCIS (Netherlands)

    Mihaleva, V.V.; Verhoeven, H.A.; Vos, de C.H.; Hall, R.D.; Ham, van R.C.H.J.

    2009-01-01

    Motivation: Matching both the retention index (RI) and the mass spectrum of an unknown compound against a mass spectral reference library provides strong evidence for a correct identification of that compound. Data on retention indices are, however, available for only a small fraction of the

  2. Method of plasma etching Ga-based compound semiconductors

    Science.gov (United States)

    Qiu, Weibin; Goddard, Lynford L.

    2012-12-25

    A method of plasma etching Ga-based compound semiconductors includes providing a process chamber and a source electrode adjacent to the process chamber. The process chamber contains a sample comprising a Ga-based compound semiconductor. The sample is in contact with a platen which is electrically connected to a first power supply, and the source electrode is electrically connected to a second power supply. The method includes flowing SiCl.sub.4 gas into the chamber, flowing Ar gas into the chamber, and flowing H.sub.2 gas into the chamber. RF power is supplied independently to the source electrode and the platen. A plasma is generated based on the gases in the process chamber, and regions of a surface of the sample adjacent to one or more masked portions of the surface are etched to create a substantially smooth etched surface including features having substantially vertical walls beneath the masked portions.

  3. Quantitative comparative linguistics based on tiny corpora: N-gram language identification of wordlists of known and unknown languages from Amazonia and beyond

    NARCIS (Netherlands)

    Seifart, F.; Mundry, R.

    2015-01-01

    Can an unknown Amazonian language be identified by statistical procedures based on n-gram frequencies if only a short list of words is available and at the same time, the available data of the potential candidate languages are also limited to relatively short wordlists? In this paper we show that

  4. Isoniazid release from suppositories compounded with selected bases.

    Science.gov (United States)

    Hudson, Kristofer C; Asbill, C Scott; Webster, Andrew A

    2007-01-01

    There is an increasing need for an alternative route of isoniazid adminstration for prophylaxis and treatment of tuberculosis in children. The purpose of this study is to evaluate the in vitro release of isoniazid from extemporaneously compounded isoniazid suppositories with a goal of optimizing the suppository dosage form for this indication. Suppositories were compounded using three different base formulations (cocoa butter, Witepsol H15 Base F, and a combination of polyethylene glycols 3350, 1000, and 400). The release profiles of six compounded suppositories with isoniazid (100 mg) were tested with a United States Pharmacopeial Convention-approved dissolution apparatus. Isoniazid concentrations at predetermined time points were determined using high-performance liquid chromatographic analysis. The results show that drug release from the water-solutble base (mixed polyethylene glycols) was significantly greater than that from the lipophilic bases (cocoa butter and Witepsol H15). The percentage of isoniazid release form the polyethylene glycol suppository formulation (70 +/- 1.4 mg/mL) was greater than that from the cocoa butter (55 +/- 1.1 mg/mL) and Witepsol H15 Base F (18 +/- 0.36 mg/mL) suppository formulations.

  5. Known knowns, known unknowns and unknown unknowns in prokaryotic transposition.

    Science.gov (United States)

    Siguier, Patricia; Gourbeyre, Edith; Chandler, Michael

    2017-08-01

    Although the phenomenon of transposition has been known for over 60 years, its overarching importance in modifying and streamlining genomes took some time to recognize. In spite of a robust understanding of transposition of some TE, there remain a number of important TE groups with potential high genome impact and unknown transposition mechanisms and yet others, only recently identified by bioinformatics, yet to be formally confirmed as mobile. Here, we point to some areas of limited understanding concerning well established important TE groups with DDE Tpases, to address central gaps in our knowledge of characterised Tn with other types of Tpases and finally, to highlight new potentially mobile DNA species. It is not exhaustive. Examples have been chosen to provide encouragement in the continued exploration of the considerable prokaryotic mobilome especially in light of the current threat to public health posed by the spread of multiple Ab R . Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. An eigenvalue approach for the automatic scaling of unknowns in model-based reconstructions: Application to real-time phase-contrast flow MRI.

    Science.gov (United States)

    Tan, Zhengguo; Hohage, Thorsten; Kalentev, Oleksandr; Joseph, Arun A; Wang, Xiaoqing; Voit, Dirk; Merboldt, K Dietmar; Frahm, Jens

    2017-12-01

    The purpose of this work is to develop an automatic method for the scaling of unknowns in model-based nonlinear inverse reconstructions and to evaluate its application to real-time phase-contrast (RT-PC) flow magnetic resonance imaging (MRI). Model-based MRI reconstructions of parametric maps which describe a physical or physiological function require the solution of a nonlinear inverse problem, because the list of unknowns in the extended MRI signal equation comprises multiple functional parameters and all coil sensitivity profiles. Iterative solutions therefore rely on an appropriate scaling of unknowns to numerically balance partial derivatives and regularization terms. The scaling of unknowns emerges as a self-adjoint and positive-definite matrix which is expressible by its maximal eigenvalue and solved by power iterations. The proposed method is applied to RT-PC flow MRI based on highly undersampled acquisitions. Experimental validations include numerical phantoms providing ground truth and a wide range of human studies in the ascending aorta, carotid arteries, deep veins during muscular exercise and cerebrospinal fluid during deep respiration. For RT-PC flow MRI, model-based reconstructions with automatic scaling not only offer velocity maps with high spatiotemporal acuity and much reduced phase noise, but also ensure fast convergence as well as accurate and precise velocities for all conditions tested, i.e. for different velocity ranges, vessel sizes and the simultaneous presence of signals with velocity aliasing. In summary, the proposed automatic scaling of unknowns in model-based MRI reconstructions yields quantitatively reliable velocities for RT-PC flow MRI in various experimental scenarios. Copyright © 2017 John Wiley & Sons, Ltd.

  7. Chemical compound-based direct reprogramming for future clinical applications

    Science.gov (United States)

    Takeda, Yukimasa; Harada, Yoshinori; Yoshikawa, Toshikazu; Dai, Ping

    2018-01-01

    Recent studies have revealed that a combination of chemical compounds enables direct reprogramming from one somatic cell type into another without the use of transgenes by regulating cellular signaling pathways and epigenetic modifications. The generation of induced pluripotent stem (iPS) cells generally requires virus vector-mediated expression of multiple transcription factors, which might disrupt genomic integrity and proper cell functions. The direct reprogramming is a promising alternative to rapidly prepare different cell types by bypassing the pluripotent state. Because the strategy also depends on forced expression of exogenous lineage-specific transcription factors, the direct reprogramming in a chemical compound-based manner is an ideal approach to further reduce the risk for tumorigenesis. So far, a number of reported research efforts have revealed that combinations of chemical compounds and cell-type specific medium transdifferentiate somatic cells into desired cell types including neuronal cells, glial cells, neural stem cells, brown adipocytes, cardiomyocytes, somatic progenitor cells, and pluripotent stem cells. These desired cells rapidly converted from patient-derived autologous fibroblasts can be applied for their own transplantation therapy to avoid immune rejection. However, complete chemical compound-induced conversions remain challenging particularly in adult human-derived fibroblasts compared with mouse embryonic fibroblasts (MEFs). This review summarizes up-to-date progress in each specific cell type and discusses prospects for future clinical application toward cell transplantation therapy. PMID:29739872

  8. Investigations on Ce- and Yb-based intermetallic compounds

    International Nuclear Information System (INIS)

    Elenbaas, R.A.

    1980-01-01

    The author describes investigations on a number of cerium- and ytterbium-based intermetallic compounds and alloys, yielding a lot of experimental results which could not always be put in a quantitative picture. All experimental data are consistent with a single-ion behaviour, where the 4f state is more or less modified by the conduction electrons. In the investigated systems several different features of the magnetism of cerium atoms in metals were studied. (Auth.)

  9. Regression toward the mean – a detection method for unknown population mean based on Mee and Chua's algorithm

    Directory of Open Access Journals (Sweden)

    Lüdtke Rainer

    2008-08-01

    Full Text Available Abstract Background Regression to the mean (RTM occurs in situations of repeated measurements when extreme values are followed by measurements in the same subjects that are closer to the mean of the basic population. In uncontrolled studies such changes are likely to be interpreted as a real treatment effect. Methods Several statistical approaches have been developed to analyse such situations, including the algorithm of Mee and Chua which assumes a known population mean μ. We extend this approach to a situation where μ is unknown and suggest to vary it systematically over a range of reasonable values. Using differential calculus we provide formulas to estimate the range of μ where treatment effects are likely to occur when RTM is present. Results We successfully applied our method to three real world examples denoting situations when (a no treatment effect can be confirmed regardless which μ is true, (b when a treatment effect must be assumed independent from the true μ and (c in the appraisal of results of uncontrolled studies. Conclusion Our method can be used to separate the wheat from the chaff in situations, when one has to interpret the results of uncontrolled studies. In meta-analysis, health-technology reports or systematic reviews this approach may be helpful to clarify the evidence given from uncontrolled observational studies.

  10. Iron based superconductors and related compounds synthesized by solid state metathesis and high temperature reactions

    International Nuclear Information System (INIS)

    Frankovsky, Rainer

    2013-01-01

    The results of this thesis can be divided into three major topics, which can also be seen as different approaches of solid state chemistry to reveal interesting features of known and unknown compounds and to develop alternative synthesis routes. Firstly, known compounds with related structural motifs to the superconducting iron-arsenides were investigated regarding their structural and physical properties. In case of La 3 Pd 4 Ge 4 the influence of Fe doping on the properties was studied, whereas in the series ZrMAs (M=Ti,V) the physical properties have not yet been reported at all and were investigated for the first time. Secondly, an alternative synthesis route has been developed for the synthesis of superconducting LaFeAsO 1-x F x . This solid state metathesis reaction distinctly increased the quality of the samples compared to conventionally prepared products. Furthermore, the reaction pathway was investigated and clarified, which helps to understand the processes during high temperature solid state metathesis reactions in general. Thirdly, this alternative synthesis route was expanded to other systems and new compounds like co-substituted LaFe 1-x Mn x AsO 1-y F y were prepared and thoroughly investigated. This led to a complex study of the interplay of magnetism, electronic and structural conditions and the occurrence of superconducting properties. The investigation and understanding of such complex coherences will probably be decisive for the further understanding of the superconducting mechanism in iron based superconductors.

  11. Electrochemical properties of copper-based compounds with polyanion frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Mizuno, Yoshifumi; Hata, Shoma; Suzuki, Kota; Hirayama, Masaaki; Kanno, Ryoji, E-mail: kanno@echem.titech.ac.jp

    2016-03-15

    The copper-based polyanion compounds Li{sub 6}CuB{sub 4}O{sub 10} and Li{sub 2}CuP{sub 2}O{sub 7} were synthesized using a conventional solid-state reaction, and their electrochemical properties were determined. Li{sub 6}CuB{sub 4}O{sub 10} showed reversible capacity of 340 mA g{sup −1} at the first discharge–charge process, while Li{sub 2}CuP{sub 2}O{sub 7} showed large irreversible capacity and thus low charge capacity. Ex situ X-ray diffraction (XRD) and X-ray absorption near edge structure (XANES) measurements revealed that the electrochemical Li{sup +} intercalation/deintercalation reaction in Li{sub 6}CuB{sub 4}O{sub 10} occurred via reversible Cu{sup 2+}/Cu{sup +} reduction/oxidation reaction. These differences in their discharge/charge mechanisms are discussed based on the strength of the Cu–O covalency via their inductive effects. - Graphical abstract: Electrochemical properties for Cu-based polyanion compounds were investigated. The electrochemical reaction mechanisms are strongly affected by their Cu–O covalentcy. - Highlights: • Electrochemical properties of Cu-based polyanion compounds were investigated. • The Li{sup +} intercalation/deintercalation reaction progressed in Li{sub 6}CuB{sub 4}O{sub 10}. • The electrochemical displacement reaction progressed in Li{sub 2}CuP{sub 2}O{sub 7}. • The strength of Cu–O covalency affects the reaction mechanism.

  12. Nanostructured Polypyrrole-Based Ammonia and Volatile Organic Compound Sensors

    Directory of Open Access Journals (Sweden)

    Milena Šetka

    2017-03-01

    Full Text Available The aim of this review is to summarize the recent progress in the fabrication of efficient nanostructured polymer-based sensors with special focus on polypyrrole. The correlation between physico-chemical parameters, mainly morphology of various polypyrrole nanostructures, and their sensitivity towards selected gas and volatile organic compounds (VOC is provided. The different approaches of polypyrrole modification with other functional materials are also discussed. With respect to possible sensors application in medicine, namely in the diagnosis of diseases via the detection of volatile biomarkers from human breath, the sensor interaction with humidity is described as well. The major attention is paid to analytes such as ammonia and various alcohols.

  13. Stepping into the virtual unknown: feasibility study of a virtual reality-based test of ocular misalignment.

    Science.gov (United States)

    Nesaratnam, N; Thomas, P; Vivian, A

    2017-10-01

    IntroductionDissociated tests of strabismus provide valuable information for diagnosis and monitoring of ocular misalignment in patients with normal retinal correspondence. However, they are vulnerable to operator error and rely on a fixed head position. Virtual reality headsets obviate the need for head fixation, while providing other clear theoretical advantages, including complete control over the illumination and targets presented for the patient's interaction.PurposeWe compared the performance of a virtual reality-based test of ocular misalignment to that of the traditional Lees screen, to establish the feasibility of using virtual reality technology in ophthalmic settings in the future.MethodsThree patients underwent a traditional Lees screen test, and a virtual reality headset-based test of ocular motility. The virtual reality headset-based programme consisted of an initial test to measure horizontal and vertical deviation, followed by a test for torsion.ResultsThe pattern of deviation obtained using the virtual reality-based test showed agreement with that obtained from the Lees screen for patients with a fourth nerve palsy, comitant esotropia, and restrictive thyroid eye disease.ConclusionsThis study reports the first use of a virtual reality headset in assessing ocular misalignment, and demonstrates that it is a feasible dissociative test of strabismus.

  14. Designing towards the unknown

    DEFF Research Database (Denmark)

    Wilde, Danielle; Underwood, Jenny

    2018-01-01

    the research potential to far-ranging possibilities. In this article we unpack the motivations driving the PKI project. We present our mixed-methodology, which entangles textile crafts, design interactions and materiality to shape an embodied enquiry. Our research outcomes are procedural and methodological......New materials with new capabilities demand new ways of approaching design. Destabilising existing methods is crucial to develop new methods. Yet, radical destabilisation—where outcomes remain unknown long enough that new discoveries become possible—is not easy in technology design where complex......, to design towards unknown outcomes, using unknown materials. The impossibility of this task is proving as useful as it is disruptive. At its most potent, it is destabilising expectations, aesthetics and processes. Keeping the researchers, collaborators and participants in a state of unknowing, is opening...

  15. An approach to accidents modeling based on compounds road environments.

    Science.gov (United States)

    Fernandes, Ana; Neves, Jose

    2013-04-01

    The most common approach to study the influence of certain road features on accidents has been the consideration of uniform road segments characterized by a unique feature. However, when an accident is related to the road infrastructure, its cause is usually not a single characteristic but rather a complex combination of several characteristics. The main objective of this paper is to describe a methodology developed in order to consider the road as a complete environment by using compound road environments, overcoming the limitations inherented in considering only uniform road segments. The methodology consists of: dividing a sample of roads into segments; grouping them into quite homogeneous road environments using cluster analysis; and identifying the influence of skid resistance and texture depth on road accidents in each environment by using generalized linear models. The application of this methodology is demonstrated for eight roads. Based on real data from accidents and road characteristics, three compound road environments were established where the pavement surface properties significantly influence the occurrence of accidents. Results have showed clearly that road environments where braking maneuvers are more common or those with small radii of curvature and high speeds require higher skid resistance and texture depth as an important contribution to the accident prevention. Copyright © 2013 Elsevier Ltd. All rights reserved.

  16. Nonparametric evaluation of quantitative traits in population-based association studies when the genetic model is unknown.

    Science.gov (United States)

    Konietschke, Frank; Libiger, Ondrej; Hothorn, Ludwig A

    2012-01-01

    Statistical association between a single nucleotide polymorphism (SNP) genotype and a quantitative trait in genome-wide association studies is usually assessed using a linear regression model, or, in the case of non-normally distributed trait values, using the Kruskal-Wallis test. While linear regression models assume an additive mode of inheritance via equi-distant genotype scores, Kruskal-Wallis test merely tests global differences in trait values associated with the three genotype groups. Both approaches thus exhibit suboptimal power when the underlying inheritance mode is dominant or recessive. Furthermore, these tests do not perform well in the common situations when only a few trait values are available in a rare genotype category (disbalance), or when the values associated with the three genotype categories exhibit unequal variance (variance heterogeneity). We propose a maximum test based on Marcus-type multiple contrast test for relative effect sizes. This test allows model-specific testing of either dominant, additive or recessive mode of inheritance, and it is robust against variance heterogeneity. We show how to obtain mode-specific simultaneous confidence intervals for the relative effect sizes to aid in interpreting the biological relevance of the results. Further, we discuss the use of a related all-pairwise comparisons contrast test with range preserving confidence intervals as an alternative to Kruskal-Wallis heterogeneity test. We applied the proposed maximum test to the Bogalusa Heart Study dataset, and gained a remarkable increase in the power to detect association, particularly for rare genotypes. Our simulation study also demonstrated that the proposed non-parametric tests control family-wise error rate in the presence of non-normality and variance heterogeneity contrary to the standard parametric approaches. We provide a publicly available R library nparcomp that can be used to estimate simultaneous confidence intervals or compatible

  17. Materials Chemistry and Performance of Silicone-Based Replicating Compounds.

    Energy Technology Data Exchange (ETDEWEB)

    Brumbach, Michael T.; Mirabal, Alex James; Kalan, Michael; Trujillo, Ana B; Hale, Kevin

    2014-11-01

    Replicating compounds are used to cast reproductions of surface features on a variety of materials. Replicas allow for quantitative measurements and recordkeeping on parts that may otherwise be difficult to measure or maintain. In this study, the chemistry and replicating capability of several replicating compounds was investigated. Additionally, the residue remaining on material surfaces upon removal of replicas was quantified. Cleaning practices were tested for several different replicating compounds. For all replicating compounds investigated, a thin silicone residue was left by the replica. For some compounds, additional inorganic species could be identified in the residue. Simple solvent cleaning could remove some residue.

  18. A combined ANN-GA and experimental based technique for the estimation of the unknown heat flux for a conjugate heat transfer problem

    Science.gov (United States)

    M K, Harsha Kumar; P S, Vishweshwara; N, Gnanasekaran; C, Balaji

    2018-05-01

    The major objectives in the design of thermal systems are obtaining the information about thermophysical, transport and boundary properties. The main purpose of this paper is to estimate the unknown heat flux at the surface of a solid body. A constant area mild steel fin is considered and the base is subjected to constant heat flux. During heating, natural convection heat transfer occurs from the fin to ambient. The direct solution, which is the forward problem, is developed as a conjugate heat transfer problem from the fin and the steady state temperature distribution is recorded for any assumed heat flux. In order to model the natural convection heat transfer from the fin, an extended domain is created near the fin geometry and air is specified as a fluid medium and Navier Stokes equation is solved by incorporating the Boussinesq approximation. The computational time involved in executing the forward model is then reduced by developing a neural network (NN) between heat flux values and temperatures based on back propagation algorithm. The conjugate heat transfer NN model is now coupled with Genetic algorithm (GA) for the solution of the inverse problem. Initially, GA is applied to the pure surrogate data, the results are then used as input to the Levenberg- Marquardt method and such hybridization is proven to result in accurate estimation of the unknown heat flux. The hybrid method is then applied for the experimental temperature to estimate the unknown heat flux. A satisfactory agreement between the estimated and actual heat flux is achieved by incorporating the hybrid method.

  19. From crystal to compound: structure-based antimalarial drug discovery.

    Science.gov (United States)

    Drinkwater, Nyssa; McGowan, Sheena

    2014-08-01

    Despite a century of control and eradication campaigns, malaria remains one of the world's most devastating diseases. Our once-powerful therapeutic weapons are losing the war against the Plasmodium parasite, whose ability to rapidly develop and spread drug resistance hamper past and present malaria-control efforts. Finding new and effective treatments for malaria is now a top global health priority, fuelling an increase in funding and promoting open-source collaborations between researchers and pharmaceutical consortia around the world. The result of this is rapid advances in drug discovery approaches and technologies, with three major methods for antimalarial drug development emerging: (i) chemistry-based, (ii) target-based, and (iii) cell-based. Common to all three of these approaches is the unique ability of structural biology to inform and accelerate drug development. Where possible, SBDD (structure-based drug discovery) is a foundation for antimalarial drug development programmes, and has been invaluable to the development of a number of current pre-clinical and clinical candidates. However, as we expand our understanding of the malarial life cycle and mechanisms of resistance development, SBDD as a field must continue to evolve in order to develop compounds that adhere to the ideal characteristics for novel antimalarial therapeutics and to avoid high attrition rates pre- and post-clinic. In the present review, we aim to examine the contribution that SBDD has made to current antimalarial drug development efforts, covering hit discovery to lead optimization and prevention of parasite resistance. Finally, the potential for structural biology, particularly high-throughput structural genomics programmes, to identify future targets for drug discovery are discussed.

  20. Lag synchronization of unknown chaotic delayed Yang-Yang-type fuzzy neural networks with noise perturbation based on adaptive control and parameter identification.

    Science.gov (United States)

    Xia, Yonghui; Yang, Zijiang; Han, Maoan

    2009-07-01

    This paper considers the lag synchronization (LS) issue of unknown coupled chaotic delayed Yang-Yang-type fuzzy neural networks (YYFCNN) with noise perturbation. Separate research work has been published on the stability of fuzzy neural network and LS issue of unknown coupled chaotic neural networks, as well as its application in secure communication. However, there have not been any studies that integrate the two. Motivated by the achievements from both fields, we explored the benefits of integrating fuzzy logic theories into the study of LS problems and applied the findings to secure communication. Based on adaptive feedback control techniques and suitable parameter identification, several sufficient conditions are developed to guarantee the LS of coupled chaotic delayed YYFCNN with or without noise perturbation. The problem studied in this paper is more general in many aspects. Various problems studied extensively in the literature can be treated as special cases of the findings of this paper, such as complete synchronization (CS), effect of fuzzy logic, and noise perturbation. This paper presents an illustrative example and uses simulated results of this example to show the feasibility and effectiveness of the proposed adaptive scheme. This research also demonstrates the effectiveness of application of the proposed adaptive feedback scheme in secure communication by comparing chaotic masking with fuzziness with some previous studies. Chaotic signal with fuzziness is more complex, which makes unmasking more difficult due to the added fuzzy logic.

  1. How to Incorporate Technology with Inquiry-Based Learning to Enhance the Understanding of Chemical Composition; How to Analyze Unknown Samples

    Directory of Open Access Journals (Sweden)

    Suzanne Lunsford

    2017-02-01

    Full Text Available The use of technology in teaching offers numerous amounts of possibilities and can be challenging for physics, chemistry and geology content courses. When incorporating technology into a science content lab it is better to be driven by pedagogy than by technology in an inquiry-based lab setting. Students need to be introduced to real-world technology in the beginning of first year chemistry or physics course to ensure real-world technology concepts while assisting with content such as periodic trends on the periodic table. This article will describe the use of technology with Raman Spectroscopy and Energy Dispersive XRay Spectroscopy (EDS and Fourier Transform Infrared Spectroscopy (FTIR to research chemical compositions in the real world of unknown samples. Such unknown samples utilized in this lab were clamshell (parts of clams that look like shark teeth versus shark teeth. The data will be shared to show how the students (pre-service teachers and in-service teachers solved the problem using technology while learning important content that will assist in the next level of chemistry, physics and even geology.

  2. Analyzing compound and project progress through multi-objective-based compound quality assessment.

    Science.gov (United States)

    Nissink, J Willem M; Degorce, Sébastien

    2013-05-01

    Compound-quality scoring methods designed to evaluate multiple drug properties concurrently are useful to analyze and prioritize output from drug-design efforts. However, formalized multiparameter optimization approaches are not widely used in drug design. We rank molecules synthesized in drug-discovery projects using simple and aggregated desirability functions reflecting medicinal chemistry 'rules'. Our quality score deals transparently with missing data, a key requirement in drug-hunting projects where data availability is often limited. We further estimate confidence in the interpretation of such a compound-quality measure. Scores and associated confidences provide systematic insight in the quality of emerging chemical equity. Tracking quality of synthetic output over time yields valuable insight into the progress of drug-design teams, with potential applications in risk and resource management of a drug portfolio.

  3. Fever of unknown origin

    International Nuclear Information System (INIS)

    Misaki, Takashi; Matsui, Akira; Tanaka, Fumiko; Okuno, Yoshishige; Mitsumori, Michihide; Torizuka, Tatsurou; Dokoh, Shigeharu; Hayakawa, Katsumi; Shimbo, Shin-ichirou

    1990-01-01

    Gallium-67 scintigraphy is a commonly performed imaging modality in deteting pyrogenic lesions in cases of long-standing inexplainable fever. To re-evaluate the significance of gallium imaging in such cases, a retrospective review was made of 56 scans performed in febrile patients in whom sufficient clinical and laboratory findings were obtained. Gallium scans were true positive in 30 patients, false positive in 3, true negative in 19, and false negative in 4. In the group of true positive, local inflammatory lesions were detected in 23 patients with a final diagnosis of lung tuberculosis, urinary tract infection, and inflammatory joint disease. Abnormal gallium accumulation, as shown in the other 7 patients, provided clues to the diagnosis of generalized disorders, such as hematological malignancies (n=3), systemic autoimmune diseases (n=3), and severe infectious mononucleosis (n=one). In the group of false positive, gallium imaging revealed intestinal excretion of gallium in 2 patients and physiological pulmonary hilar accumulation in one. In the true negative group of 19 patients, fever of unknown origin was resolved spontaneously in 12 patients, and with antibiotics and corticosteroids in 2 and 5 patients, respectively. Four patients having false negative scans were finally diagnosed as having urinary tract infection (n=2), bacterial meningitis (n=one), and polyarteritis (n=one). Gallium imaging would remain the technique of choice in searching for origin of unknown fever. It may also be useful for early diagnosis of systemic disease, as well as focal inflammation. (N.K.)

  4. Volatile organic compounds discrimination based on dual mode detection

    Science.gov (United States)

    Yu, Yuanyuan; Wu, Enxiu; Chen, Yan; Feng, Zhihong; Zheng, Shijun; Zhang, Hao; Pang, Wei; Liu, Jing; Zhang, Daihua

    2018-06-01

    We report on a volatile organic compound (VOC) sensor that can provide concentration-independent signals toward target gases. The device is based on a dual-mode detection mechanism that can simultaneously record the mechanical (resonant frequency, f r) and electrical (current, I) responses of the same gas adsorption event. The two independent signals form a unique I–f r trace for each target VOC as the concentration varies. The mechanical response (frequency shift, Δf r) resulting from mass load on the device is directly related to the amount of surface adsorptions, while the electrical response (current variation, ΔI) is associated with charge transfer across the sensing interface and changes in carrier mobility. The two responses resulting from independent physical processes reflect intrinsic physical properties of each target gas. The ΔI–Δf r trace combined with the concentration dependent frequency (or current) signals can therefore be used to achieve target both recognition and quantification. The dual-mode device is designed and fabricated using standard complementary metal oxide semiconductor (CMOS) compatible processes. It exhibits consistent and stable performance in our tests with six different VOCs including ethanol, methanol, acetone, formaldehyde, benzene and hexane.

  5. Crystal growth iron based pnictide compounds; Kristallzuechtung eisenbasierter Pniktidverbindungen

    Energy Technology Data Exchange (ETDEWEB)

    Nacke, Claudia

    2012-11-15

    The present work is concerned with selected crystal growth method for producing iron-based superconductors. The first part of this work introduces significant results of the crystal growth of BaFe{sub 2}As{sub 2} and the cobalt-substituted compound Ba(Fe{sub 1-x}Co{sub x}){sub 2}As{sub 2} with x{sub Nom} = 0.025, 0.05, 0.07, 0.10 and 0.20. For this purpose a test procedure for the vertical Bridgman method was developed. The second part of this work contains substantial results for growing a crystal of LiFeAs and the nickel-substituted compound Li{sub 1-δ}Fe{sub 1-x}Ni{sub x}As with x{sub Nom} = 0.015, 0.025, 0.05, 0.06, 0.075 and 0.10. For this purpose a test procedure for the melt flow process has been developed successfully. [German] Die vorliegende Arbeit befasst sich mit ausgewaehlten Kristallzuechtungsverfahren zur Herstellung eisenbasierter Supraleiter. Der erste Teil dieser Arbeit fuehrt wesentliche Ergebnisse der Kristallzuechtung von BaFe{sub 2}As{sub 2} sowie der Cobalt-substituierten Verbindung Ba(Fe{sub 1-x}Co{sub x}){sub 2}As{sub 2} mit x{sub Nom} =0.025, 0.05, 0.07, 0.10 und 0.20 auf. Hierzu wurde eine Versuchsdurchfuehrung fuer das vertikale Bridgman-Verfahren konzipiert, mit welcher erfolgreich Kristalle dieser Zusammensetzungen gezuechtet wurden. Der zweite Teil dieser Arbeit enthaelt wesentliche Ergebnisse zur Kristallzuechtung von LiFeAs sowie der Nickel-substituierten Verbindung Li{sub 1-δ}Fe{sub 1-x}Ni{sub x}As mit x{sub Nom} = 0.015, 0.025, 0.05, 0.06, 0.075 und 0.10. Hierfuer wurde erfolgreich eine Versuchsdurchfuehrung fuer das Schmelzfluss-Verfahren entwickelt.

  6. Compounds in dictionary-based Cross-language information retrieval_revised

    Directory of Open Access Journals (Sweden)

    2002-01-01

    Full Text Available Compound words form an important part of natural language. From the cross-lingual information retrieval (CLIR point of view it is important that many natural languages are highly productive with compounds, and translation resources cannot include entries for all compounds. Also, compounds are often content bearing words in a sentence. In Swedish, German and Finnish roughly one tenth of the words in a text prepared for information retrieval purposes are compounds. Important research questions concerning compound handling in dictionary-based cross-language information retrieval are 1 compound splitting into components, 2 normalisation of components, 3 translation of components and 4 query structuring for compounds and their components in the target language. The impact of compound processing on the performance of the cross-language information retrieval process is evaluated in this study and the results indicate that the effect is clearly positive.

  7. Function analysis of unknown genes

    DEFF Research Database (Denmark)

    Rogowska-Wrzesinska, A.

    2002-01-01

      This thesis entitled "Function analysis of unknown genes" presents the use of proteome analysis for the characterisation of yeast (Saccharomyces cerevisiae) genes and their products (proteins especially those of unknown function). This study illustrates that proteome analysis can be used...... to describe different aspects of molecular biology of the cell, to study changes that occur in the cell due to overexpression or deletion of a gene and to identify various protein modifications. The biological questions and the results of the described studies show the diversity of the information that can...... genes and proteins. It reports the first global proteome database collecting 36 yeast single gene deletion mutants and selecting over 650 differences between analysed mutants and the wild type strain. The obtained results show that two-dimensional gel electrophoresis and mass spectrometry based proteome...

  8. [Badminton--unknown sport].

    Science.gov (United States)

    Zekan-Petrinović, Lidija

    2007-01-01

    For a long time, badminton was considered to be only a slow and light game for children, a game that is played outdoors and is structurally undemanding.Today, it is not an unknown and unrecognised sport, especially after it was included into the Olympics Games in 1992. Badminton is one of the oldest sports in the world. It is suitable for all ages (for children and elderly equally), women and men and even handicapped persons. Beginners can start playing badminton matches early because the basics are learned quickly. As a recreational activity, badminton is very popular in Zagreb. In the last 10 years, a number of halls specialized for badminton or offering badminton as one of available sports activities have been opened in Zagreb. At present, there are over 70 professional playgrounds for training of top contestants but also for the citizens who can play recreational badminton.

  9. Image-based compound profiling reveals a dual inhibitor of tyrosine kinase and microtubule polymerization

    OpenAIRE

    Tanabe, Kenji

    2016-01-01

    Small-molecule compounds are widely used as biological research tools and therapeutic drugs. Therefore, uncovering novel targets of these compounds should provide insights that are valuable in both basic and clinical studies. I developed a method for image-based compound profiling by quantitating the effects of compounds on signal transduction and vesicle trafficking of epidermal growth factor receptor (EGFR). Using six signal transduction molecules and two markers of vesicle trafficking, 570...

  10. Synthesis and Application of Polymeric Fluorescent Compounds Based on Coumarin

    Directory of Open Access Journals (Sweden)

    Guojun Liu

    2015-06-01

    Full Text Available In this work, a multifunctional yellowing inhibitor was synthesized by the Pechmann method. In order to obtain the target compound, 7-hydroxy-4-methyl coumarin was prepared by using the raw materials of resorcinol and ethyl acetoacetate, with toluene-p-sulfonic acid as the catalyst. New polymeric fluorescent compounds were synthesized by connecting the 7-hydroxy-4-methyl coumarin, the hindered amine light stabilizer 4-amion-2,2,6,6-tetramentylniperidine, and a series of polyethylene glycol segments into the same molecule with cyanuric chloride as a bridge. The structures of the synthesized molecules were confirmed by FT-IR, 1H NMR, and elemental analysis. The luminescent properties of the fluorescent compounds were studied by UV-vis spectroscopy and fluorescence spectroscopy. The integration effect between the fluorescent compounds and paper was tested by a scanning electron microscope. The light stability effect on the paper sheet was tested using an ultraviolet aging apparatus. The results indicate that the polymeric fluorescent compounds had a positive effect on the light stability of the high-yield pulp.

  11. Volume-based predictive biomarkers of sequential FDG-PET/CT for sunitinib in cancer of unknown primary: identification of the best benefited patients

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Yifei [Second Military Medical University, Department of Orthorpedic Oncology, Changzheng Hospital, Shanghai (China); Second Military Medical University, Department of Pathology, Changzheng Hospital, Shanghai (China); Xu, Wei; Xiao, Jianru [Second Military Medical University, Department of Orthorpedic Oncology, Changzheng Hospital, Shanghai (China); Bai, Ruojing [Geriatrics Institute, Department of Geriatrics, Tianjin Medical University General Hospital, Laboratory of Neuro-Trauma and Neurodegenerative Disorder, Tianjin (China); Li, Yiming [Neurosurgery Institute, Department of Neuro-oncology, Beijing (China); Yu, Hongyu [Second Military Medical University, Department of Pathology, Changzheng Hospital, Shanghai (China); Yang, Chunshan [Panorama Medical Imaging Center, Department of PET/CT Radiology, Shanghai (China); Department of PET/CT Radiology Center, Shanghai (China); Shi, Huazheng; Zhang, Jian [Department of PET/CT Radiology Center, Shanghai (China); Li, Jidong [The First People' s Hospital of Shangqiu, Department of Stomatology, Shangqiu, Henan Province (China); Wang, Chenguang [Second Military Medical University, Department of Radiology, Changzheng Hospital, Shanghai (China)

    2017-02-15

    To test the performance of sequential {sup 18}F-fluorodeoxyglucose positron emission tomography/computed tomography (FDG-PET/CT) in predicting survival after sunitinib therapies in patients with cancer of unknown primary (CUP). CUP patients were enrolled for sequential PET/CT scanning for sunitinib and a control group. Univariate and multivariate analysis were applied to test the efficacy of sunitinib therapy in CUP patients. Next, sequential analyses involving PET/CT parameters were performed to identify and validate sensitive PET/CT biomarkers for sunitinib therapy. Finally, time-dependent receiver operating characteristic (TDROC) analyses were performed to compare the predictive accuracy. Multivariate analysis proved that sunitinib group had significantly improved survival (p < 0.01) as compared to control group. After cycle 2 of therapy, multivariate analysis identified volume-based PET/CT parameters as sensitive biomarkers for sunitinib (p < 0.01). TDROC curves demonstrated whole-body total lesion glycolysis reduction (Δ WTLG) and follow-up WTLG to have good accuracy for efficacy prediction. This evidence was validated after cycle 4 of therapy with the same method. Sunitinib therapy proved effective in treatment of CUP. PET/CT volume-based parameters may help predict outcome of sunitinib therapy, in which Δ WTLG and follow-up WTLG seem to be sensitive biomarkers for sunitinib efficacy. Patients with greater reduction and lower WTLG at follow-up seem to have better survival outcome. (orig.)

  12. Volume-based predictive biomarkers of sequential FDG-PET/CT for sunitinib in cancer of unknown primary: identification of the best benefited patients

    International Nuclear Information System (INIS)

    Ma, Yifei; Xu, Wei; Xiao, Jianru; Bai, Ruojing; Li, Yiming; Yu, Hongyu; Yang, Chunshan; Shi, Huazheng; Zhang, Jian; Li, Jidong; Wang, Chenguang

    2017-01-01

    To test the performance of sequential "1"8F-fluorodeoxyglucose positron emission tomography/computed tomography (FDG-PET/CT) in predicting survival after sunitinib therapies in patients with cancer of unknown primary (CUP). CUP patients were enrolled for sequential PET/CT scanning for sunitinib and a control group. Univariate and multivariate analysis were applied to test the efficacy of sunitinib therapy in CUP patients. Next, sequential analyses involving PET/CT parameters were performed to identify and validate sensitive PET/CT biomarkers for sunitinib therapy. Finally, time-dependent receiver operating characteristic (TDROC) analyses were performed to compare the predictive accuracy. Multivariate analysis proved that sunitinib group had significantly improved survival (p < 0.01) as compared to control group. After cycle 2 of therapy, multivariate analysis identified volume-based PET/CT parameters as sensitive biomarkers for sunitinib (p < 0.01). TDROC curves demonstrated whole-body total lesion glycolysis reduction (Δ WTLG) and follow-up WTLG to have good accuracy for efficacy prediction. This evidence was validated after cycle 4 of therapy with the same method. Sunitinib therapy proved effective in treatment of CUP. PET/CT volume-based parameters may help predict outcome of sunitinib therapy, in which Δ WTLG and follow-up WTLG seem to be sensitive biomarkers for sunitinib efficacy. Patients with greater reduction and lower WTLG at follow-up seem to have better survival outcome. (orig.)

  13. Inquiry-Based Instruction of Compound Microscopy Using Simulated Paleobiogeography

    Science.gov (United States)

    Hodgson, Jay Y. S.; Mateer, Scott C.

    2015-01-01

    The compound microscope is an important tool in biology, and mastering it requires repetition. Unfortunately, introductory activities for students can be formulaic, and consequently, students are often unengaged and fail to develop the required experience to become proficient in microscopy. To engage students, increase repetition, and develop…

  14. Ternary alloys based on II-VI semiconductor compounds

    CERN Document Server

    Tomashyk, Vasyl; Shcherbak, Larysa

    2013-01-01

    Phase Equilibria in the Systems Based on ZnSSystems Based on ZnSeSystems Based on ZnTeSystems Based on CdSSystem Based on CdSeSystem Based on CdTeSystems Based on HgSSystems Based on HgSeSystems Based on HgTeIndexReferences appear at the end of each chapter.

  15. Neural-Network-Based Robust Optimal Tracking Control for MIMO Discrete-Time Systems With Unknown Uncertainty Using Adaptive Critic Design.

    Science.gov (United States)

    Liu, Lei; Wang, Zhanshan; Zhang, Huaguang

    2018-04-01

    This paper is concerned with the robust optimal tracking control strategy for a class of nonlinear multi-input multi-output discrete-time systems with unknown uncertainty via adaptive critic design (ACD) scheme. The main purpose is to establish an adaptive actor-critic control method, so that the cost function in the procedure of dealing with uncertainty is minimum and the closed-loop system is stable. Based on the neural network approximator, an action network is applied to generate the optimal control signal and a critic network is used to approximate the cost function, respectively. In contrast to the previous methods, the main features of this paper are: 1) the ACD scheme is integrated into the controllers to cope with the uncertainty and 2) a novel cost function, which is not in quadric form, is proposed so that the total cost in the design procedure is reduced. It is proved that the optimal control signals and the tracking errors are uniformly ultimately bounded even when the uncertainty exists. Finally, a numerical simulation is developed to show the effectiveness of the present approach.

  16. Self-association and infrared spectres of some heterocyclic compounds based on pyrrol in solid state

    International Nuclear Information System (INIS)

    Mulloev, N.; Nurulloev, M.; Narziev, B.N.

    1993-01-01

    Present article is devoted to self-association and infrared spectres of some heterocyclic compounds based on pyrrol in solid state. The study results of self-association specified by molecular hydrogen bonds of some heterocyclic compounds based on pyrrol on spectres of infrared absorption of stretching vibrations of N-H group were considered.

  17. Recension: Mao - The Unknown Story

    DEFF Research Database (Denmark)

    Clausen, Søren

    2005-01-01

    Anmeldelse - kritisk! - til Sveriges førende Kinatidsskrift af Jung Chang & Jon Halliday's sensationelle "Mao - the Unknown Story".......Anmeldelse - kritisk! - til Sveriges førende Kinatidsskrift af Jung Chang & Jon Halliday's sensationelle "Mao - the Unknown Story"....

  18. Contribution of 18F-FDG PET in the diagnostic assessment of fever of unknown origin (FUO): a stratification-based meta-analysis

    International Nuclear Information System (INIS)

    Besson, Florent L.; Chaumet-Riffaud, Philippe; Prigent, Alain; Durand, Emmanuel; Playe, Margot; Noel, Nicolas; Lambotte, Olivier; Goujard, Cecile

    2016-01-01

    The aim of this study was to quantify the contribution of FDG PET to the diagnostic assessment of fever of unknown origin (FUO), taking into account the diagnostic limitations resulting from the composite nature of this entity. The PubMed/MEDLINE database was searched from 2000 to September 2015. Original articles fulfilling the following criteria were included: (1) FUO as the initial diagnosis, (2) no immunosuppressed or nosocomial condition, (3) final diagnosis not based on PET, (4) a follow-up period specified, (5) adult population, and (6) availability of adapted data for calculation of odds ratios (ORs). ORs were computed for each study and then pooled using a random effects model. Stratification-based sensitivity analyses were finally performed using the following prespecified criteria: (a) study design, (b) PET device, (c) geographic area, and (d) follow-up period. A meta-analysis of the 14 included studies showed that normal PET findings led to an increase in the absolute final diagnostic rate of 36 % abnormal PET findings to an increase of 83 %, corresponding to a pooled OR of 8.94 (95 % CI 4.18 - 19.12, Z = 5.65; p < 0.00001). The design of the studies influenced the results (OR 2.92, 95 % CI 1.00 - 8.53 for prospective studies; OR 18,57, 95 % CI 7.57 - 45.59 for retrospective studies; p = 0.01), whereas devices (dedicated or hybrid), geographic area and follow-up period did not. Abnormal PET findings are associated with a substantially increased final diagnostic rate in FUO. Consequently, FDG PET could be considered for inclusion in the first-line diagnostic work-up of FUO. Further randomized prospective studies with standardized FDG PET procedures are warranted to confirm this first-line position. (orig.)

  19. Efficient fluorescent deep-blue and hybrid white emitting devices based on carbazole/benzimidazole compound

    KAUST Repository

    Yang, Xiaohui; Zheng, Shijun; Bottger, Rebecca; Chae, HyunSik; Tanaka, Takeshi; Li, Sheng; Mochizuki, Amane; Jabbour, Ghassan E.

    2011-01-01

    We report the synthesis, photophysics, and electrochemical characterization of carbazole/benzimidazole-based compound (Cz-2pbb) and efficient fluorescent deep-blue light emitting devices based on Cz-2pbb with the peak external quantum efficiency

  20. Previously unknown species of Aspergillus.

    Science.gov (United States)

    Gautier, M; Normand, A-C; Ranque, S

    2016-08-01

    The use of multi-locus DNA sequence analysis has led to the description of previously unknown 'cryptic' Aspergillus species, whereas classical morphology-based identification of Aspergillus remains limited to the section or species-complex level. The current literature highlights two main features concerning these 'cryptic' Aspergillus species. First, the prevalence of such species in clinical samples is relatively high compared with emergent filamentous fungal taxa such as Mucorales, Scedosporium or Fusarium. Second, it is clearly important to identify these species in the clinical laboratory because of the high frequency of antifungal drug-resistant isolates of such Aspergillus species. Matrix-assisted laser desorption/ionization-time of flight mass spectrometry (MALDI-TOF MS) has recently been shown to enable the identification of filamentous fungi with an accuracy similar to that of DNA sequence-based methods. As MALDI-TOF MS is well suited to the routine clinical laboratory workflow, it facilitates the identification of these 'cryptic' Aspergillus species at the routine mycology bench. The rapid establishment of enhanced filamentous fungi identification facilities will lead to a better understanding of the epidemiology and clinical importance of these emerging Aspergillus species. Based on routine MALDI-TOF MS-based identification results, we provide original insights into the key interpretation issues of a positive Aspergillus culture from a clinical sample. Which ubiquitous species that are frequently isolated from air samples are rarely involved in human invasive disease? Can both the species and the type of biological sample indicate Aspergillus carriage, colonization or infection in a patient? Highly accurate routine filamentous fungi identification is central to enhance the understanding of these previously unknown Aspergillus species, with a vital impact on further improved patient care. Copyright © 2016 European Society of Clinical Microbiology and

  1. Biomimetic approach to tacit learning based on compound control.

    Science.gov (United States)

    Shimoda, Shingo; Kimura, Hidenori

    2010-02-01

    The remarkable capability of living organisms to adapt to unknown environments is due to learning mechanisms that are totally different from the current artificial machine-learning paradigm. Computational media composed of identical elements that have simple activity rules play a major role in biological control, such as the activities of neurons in brains and the molecular interactions in intracellular control. As a result of integrations of the individual activities of the computational media, new behavioral patterns emerge to adapt to changing environments. We previously implemented this feature of biological controls in a form of machine learning and succeeded to realize bipedal walking without the robot model or trajectory planning. Despite the success of bipedal walking, it was a puzzle as to why the individual activities of the computational media could achieve the global behavior. In this paper, we answer this question by taking a statistical approach that connects the individual activities of computational media to global network behaviors. We show that the individual activities can generate optimized behaviors from a particular global viewpoint, i.e., autonomous rhythm generation and learning of balanced postures, without using global performance indices.

  2. Managing the Unknown

    DEFF Research Database (Denmark)

    Wieland, Andreas

    2016-01-01

    Early approaches to managing risk in supply chains were based on enterprise risk management tools – tools that had been developed for a system called the “company.” These tools often contained risk categories relating to operational and financial circumstances within the company. Moreover......, these tools were easily scalable, as they allowed the inclusion of additional risk categories. It comes as no surprise, therefore, that the notion of risks further upstream and downstream in the supply chain has led risk managers to include new categories such as “supplier insolvency,” “supplier quality......” or “defects of supplied parts (per million).” The inclusion of such categories that represent risk sources outside of their own companies has certainly been a great achievement. But, as I will argue, this is not enough to shift from a company view towards a supply chain view that has been shown to enable...

  3. Advances in Base-Free Oxidation of Bio-Based Compounds on Supported Gold Catalysts

    Directory of Open Access Journals (Sweden)

    Robert Wojcieszak

    2017-11-01

    Full Text Available The oxidation of bio-based molecules in general, and of carbohydrates and furanics in particular, is a highly attractive process. The catalytic conversion of renewable compounds is of high importance. Acids and other chemical intermediates issued from oxidation processes have many applications related, especially, to food and detergents, as well as to pharmaceutics, cosmetics, and the chemical industry. Until now, the oxidation of sugars, furfural, or 5-hydroxymethylfurfural has been mainly conducted through biochemical processes or with strong inorganic oxidants. The use of these processes very often presents many disadvantages, especially regarding products separation and selectivity control. Generally, the oxidation is performed in batch conditions using an appropriate catalyst and a basic aqueous solution (pH 7–9, while bubbling oxygen or air through the slurry. However, there is a renewed interest in working in base-free conditions to avoid the production of salts. Actually, this gives direct access to different acids or diacids without laborious product purification steps. This review focuses on processes applying gold-based catalysts, and on the catalytic properties of these systems in the base-free oxidation of important compounds: C5–C6 sugars, furfural, and 5-hydroxymethylfurfural. A better understanding of the chemical and physical properties of the catalysts and of the operating conditions applied in the oxidation reactions is essential. For this reason, in this review we put emphasis on these most impacting factors.

  4. Translation of Japanese Noun Compounds at Super-Function Based MT System

    Science.gov (United States)

    Zhao, Xin; Ren, Fuji; Kuroiwa, Shingo

    Noun compounds are frequently encountered construction in nature language processing (NLP), consisting of a sequence of two or more nouns which functions syntactically as one noun. The translation of noun compounds has become a major issue in Machine Translation (MT) due to their frequency of occurrence and high productivity. In our previous studies on Super-Function Based Machine Translation (SFBMT), we have found that noun compounds are very frequently used and difficult to be translated correctly, the overgeneration of noun compounds can be dangerous as it may introduce ambiguity in the translation. In this paper, we discuss the challenges in handling Japanese noun compounds in an SFBMT system, we present a shallow method for translating noun compounds by using a word level translation dictionary and target language monolingual corpus.

  5. Building Asphalt Pavement with SBS-based Compound Added Using a Dry Process in Greenland

    DEFF Research Database (Denmark)

    Lee, Hosin; Kim, Yongjoo; Geisler, Nivi

    2009-01-01

    PMA where it is formulated to melt and blend with asphalt quickly during a batch mixing process. The main objectives of this study are to (1) build asphalt pavement using asphalt mixtures with SBS-based compound added using a “dry” process at the batch plant and (2) evaluate its performance under......-based compound seemed to affect the asphalt mix to become more flexible under the heavy loads. By adding SBS-based compound to asphalt mixtures using a “dry” process, it is expected that the pavement would become more resistant to rutting than a typical asphalt mixture used in Greenland while enduring its arctic...

  6. New Ideas for an Old Enzyme: A Short, Question-Based Laboratory Project for the Purification and Identification of an Unknown LDH Isozyme

    Science.gov (United States)

    Coleman, Aaron B.

    2010-01-01

    Enzyme purification projects are an excellent way to introduce many aspects of protein biochemistry, but can be difficult to carry out under the constraints of a typical undergraduate laboratory course. We have designed a short laboratory project for the purification and identification of an "unknown" lactate dehydrogenase (LDH) isozyme that can…

  7. Radiation effects on II-VI compound-based detectors

    CERN Document Server

    Cavallini, A; Dusi, W; Auricchio, N; Chirco, P; Zanarini, M; Siffert, P; Fougeres, P

    2002-01-01

    The performance of room temperature CdTe and CdZnTe detectors exposed to a radiation source can be strongly altered by the interaction of the ionizing particles and the material. Up to now, few experimental data are available on the response of II-VI compound detectors to different types of radiation sources. We have carried out a thorough investigation on the effects of gamma-rays, neutrons and electron irradiation both on CdTe : Cl and Cd sub 0 sub . sub 9 Zn sub 0 sub . sub 1 Te detectors. We have studied the detector response after radiation exposure by means of dark current measurements and of quantitative spectroscopic analyses at low and medium energies. The deep traps present in the material have been characterized by means of PICTS (photo-induced current transient spectroscopy) analyses, which allow to determine the trap apparent activation energy and capture cross-section. The evolution of the trap parameters with increasing irradiation doses has been monitored for all the different types of radiati...

  8. Modelling of the Kinetics of Sulfure Compounds in Desulfurisation Processes Based on Industry Data of Plant

    Directory of Open Access Journals (Sweden)

    Krivtcova Nadezhda

    2016-01-01

    Full Text Available Modelling of sulfur compounds kinetics was performed, including kinetics of benzothiophene and dibenzothiophene homologues. Modelling is based on experimental data obtained from monitoring of industrial hydrotreating set. Obtained results include kinetic parameters of reactions.

  9. Modelling of the Kinetics of Sulfure Compounds in Desulfurisation Processes Based on Industry Data of Plant

    OpenAIRE

    Krivtsova, Nadezhda Igorevna; Tataurshikov, A.; Kotkova, Elena

    2016-01-01

    Modelling of sulfur compounds kinetics was performed, including kinetics of benzothiophene and dibenzothiophene homologues. Modelling is based on experimental data obtained from monitoring of industrial hydrotreating set. Obtained results include kinetic parameters of reactions.

  10. Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries.

    Science.gov (United States)

    Ma, Xiao H; Jia, Jia; Zhu, Feng; Xue, Ying; Li, Ze R; Chen, Yu Z

    2009-05-01

    Machine learning methods have been explored as ligand-based virtual screening tools for facilitating drug lead discovery. These methods predict compounds of specific pharmacodynamic, pharmacokinetic or toxicological properties based on their structure-derived structural and physicochemical properties. Increasing attention has been directed at these methods because of their capability in predicting compounds of diverse structures and complex structure-activity relationships without requiring the knowledge of target 3D structure. This article reviews current progresses in using machine learning methods for virtual screening of pharmacodynamically active compounds from large compound libraries, and analyzes and compares the reported performances of machine learning tools with those of structure-based and other ligand-based (such as pharmacophore and clustering) virtual screening methods. The feasibility to improve the performance of machine learning methods in screening large libraries is discussed.

  11. Green chemistry approach to the synthesis of potentially bioactive aminobenzylated Mannich bases through active hydrogen compounds

    Directory of Open Access Journals (Sweden)

    S. L. VASOYA

    2005-10-01

    Full Text Available An efficient and high yield method for the synthesis of aminobenzylated Mannich bases is described. The synthesis occurs in aqueous medium at 0 ºC. The compounds show moderate antitubercular and antimicrobial activities.

  12. Determination of sulfur compounds in hydrotreated transformer base oil by potentiometric titration.

    Science.gov (United States)

    Chao, Qiu; Sheng, Han; Cheng, Xingguo; Ren, Tianhui

    2005-06-01

    A method was developed to analyze the distribution of sulfur compounds in model sulfur compounds by potentiometric titration, and applied to analyze hydrotreated transformer base oil. Model thioethers were oxidized to corresponding sulfoxides by tetrabutylammonium periodate and sodium metaperiodate, respectively, and the sulfoxides were titrated by perchloric acid titrant in acetic anhydride. The contents of aliphatic thioethers and total thioethers were then determined from that of sulfoxides in solution. The method was applied to determine the organic sulfur compounds in hydrotreated transformer base oil.

  13. Synthesis and optoelectronic characterization of some triphenylamine-based compounds containing strong acceptor substituents

    Energy Technology Data Exchange (ETDEWEB)

    Grigoras, Mircea, E-mail: grim@icmpp.ro; Ivan, Teofilia; Vacareanu, Loredana; Catargiu, Ana Maria; Tigoianu, Radu

    2014-09-15

    Three novel triphenylamine-based compounds containing strong electron acceptor groups have been synthesized and their comparative photophysical properties are presented. These compounds were obtained by a two-step method: (i) triphenylamine compounds with one, two and three phenylacetylene arms were synthesized by Sonogashira reaction between iodine-substituted triphenylamines and phenylacetylene, followed by (ii) post-modification of these electron-rich alkynes by addition of the strong electron acceptor, tetracyanoethylene. Characterization of all oligomers was made by FTIR, {sup 1}H-NMR, UV–vis and fluorescence spectroscopy. A batochromic shifting of the UV and photoluminescence maxima was observed with the increase of the acceptor group number. The electrochemical behavior was studied by cyclic voltammetry. The cyclic voltammograms have evidenced that triphenylamine-phenylacetylene compounds undergo only oxidation processes while compounds modified with tetracyanoethylene show both oxidation and reduction peaks associated with donor and acceptor groups, respectively. The donor–acceptor compounds coordinate metal ions (i.e., Hg{sup 2+} and Sn{sup 2+}) by cyano groups resulting in the decreasing of charge transfer band intensity, and they can be used as chemosensors. - Highlights: • Three triphenylamine-based ethynylene compounds were prepared by Sonogashira reaction. • Post-modification of ethynylene linkages by tetracyanethylene cycloaddition and retroconversion led to donor–acceptor compounds. • Photophysical properties of donor–acceptor oligomers were studied in different solvents.

  14. Accelerating Multiple Compound Comparison Using LINGO-Based Load-Balancing Strategies on Multi-GPUs.

    Science.gov (United States)

    Lin, Chun-Yuan; Wang, Chung-Hung; Hung, Che-Lun; Lin, Yu-Shiang

    2015-01-01

    Compound comparison is an important task for the computational chemistry. By the comparison results, potential inhibitors can be found and then used for the pharmacy experiments. The time complexity of a pairwise compound comparison is O(n (2)), where n is the maximal length of compounds. In general, the length of compounds is tens to hundreds, and the computation time is small. However, more and more compounds have been synthesized and extracted now, even more than tens of millions. Therefore, it still will be time-consuming when comparing with a large amount of compounds (seen as a multiple compound comparison problem, abbreviated to MCC). The intrinsic time complexity of MCC problem is O(k (2) n (2)) with k compounds of maximal length n. In this paper, we propose a GPU-based algorithm for MCC problem, called CUDA-MCC, on single- and multi-GPUs. Four LINGO-based load-balancing strategies are considered in CUDA-MCC in order to accelerate the computation speed among thread blocks on GPUs. CUDA-MCC was implemented by C+OpenMP+CUDA. CUDA-MCC achieved 45 times and 391 times faster than its CPU version on a single NVIDIA Tesla K20m GPU card and a dual-NVIDIA Tesla K20m GPU card, respectively, under the experimental results.

  15. Accelerating Multiple Compound Comparison Using LINGO-Based Load-Balancing Strategies on Multi-GPUs

    Directory of Open Access Journals (Sweden)

    Chun-Yuan Lin

    2015-01-01

    Full Text Available Compound comparison is an important task for the computational chemistry. By the comparison results, potential inhibitors can be found and then used for the pharmacy experiments. The time complexity of a pairwise compound comparison is O(n2, where n is the maximal length of compounds. In general, the length of compounds is tens to hundreds, and the computation time is small. However, more and more compounds have been synthesized and extracted now, even more than tens of millions. Therefore, it still will be time-consuming when comparing with a large amount of compounds (seen as a multiple compound comparison problem, abbreviated to MCC. The intrinsic time complexity of MCC problem is O(k2n2 with k compounds of maximal length n. In this paper, we propose a GPU-based algorithm for MCC problem, called CUDA-MCC, on single- and multi-GPUs. Four LINGO-based load-balancing strategies are considered in CUDA-MCC in order to accelerate the computation speed among thread blocks on GPUs. CUDA-MCC was implemented by C+OpenMP+CUDA. CUDA-MCC achieved 45 times and 391 times faster than its CPU version on a single NVIDIA Tesla K20m GPU card and a dual-NVIDIA Tesla K20m GPU card, respectively, under the experimental results.

  16. Pyrolysis mechanism of microalgae Nannochloropsis sp. based on model compounds and their interaction

    International Nuclear Information System (INIS)

    Wang, Xin; Tang, Xiaohan; Yang, Xiaoyi

    2017-01-01

    Highlights: • Pyrolysis experiments were conducted by model compounds of algal components. • Interaction affected little bio-crude yield of model compounds co-pyrolysis. • Some interaction pathways between microalgae components were recommended. • N-heterocyclic compounds were further pyrolysis products of Maillard reaction products. • Surfactant synthesis (lipid-amino acids and lipid-glucose) between algal components. - Abstract: Pyrolysis is one of important pathways to convert microalgae to liquid biofuels and key components of microalgae have different chemical composition and structure, which provides a barrier for large-scale microalgae-based liquid biofuel application. Microalgae component pyrolysis mechanism should be researched to optimal pyrolysis process parameters. In this study, single pyrolysis and co-pyrolysis of microalgal components (model compounds castor oil, soybean protein and glucose) were conducted to reveal interaction between them by thermogrametric analysis and bio-crude evaluation. Castor oil (model compound of lipid) has higher pyrolysis temperature than other model compounds and has the maximum contribution to bio-crude formation. Bio-crude from soybean protein has higher N-heterocyclic compounds as well as phenols, which could be important aromatic hydrocarbon source during biorefineries and alternative aviation biofuel production. Potential interaction pathways based on model compounds are recommended including further decomposition of Maillard reaction products (MRPs) and surfactant synthesis, which indicate that glucose played an important role on pyrolysis of microalgal protein and lipid components. The results should provide necessary information for microalgae pyrolysis process optimization and large-scale pyrolysis reactor design.

  17. Detection of polyaromatic compounds using antibody-based fiberoptics fluoroimmunosensors

    International Nuclear Information System (INIS)

    Vo-Dinh, T.; Tromberg, B.J.; Griffin, G.D.; Ambrose, K.R.; Sepaniak, M.J.; Alarie, J.P.

    1987-01-01

    In this work we have investigated the performance of an antibody-based fiberoptics sensor for the detection of the carcinogen benzo(a)pyrene and its DNA-adduct product BP-tetrol. The excellent sensitivity of this device - femtomole limits of detection for BP - illustrates that it has considerable potential to perform analyses of chemical and biological samples at trace levels in complex matrices. The results indicate that fiberoptics-based fluoroimmunosensors can be useful in a wide spectrum of biochemical and clinical analyses. 17 refs., 4 figs., 1 tab

  18. Detection of polyaromatic compounds using antibody-based fiberoptics fluoroimmunosensors

    Energy Technology Data Exchange (ETDEWEB)

    Vo-Dinh, T.; Tromberg, B.J.; Griffin, G.D.; Ambrose, K.R.; Sepaniak, M.J.; Alarie, J.P.

    1987-01-01

    In this work we have investigated the performance of an antibody-based fiberoptics sensor for the detection of the carcinogen benzo(a)pyrene and its DNA-adduct product BP-tetrol. The excellent sensitivity of this device - femtomole limits of detection for BP - illustrates that it has considerable potential to perform analyses of chemical and biological samples at trace levels in complex matrices. The results indicate that fiberoptics-based fluoroimmunosensors can be useful in a wide spectrum of biochemical and clinical analyses. 17 refs., 4 figs., 1 tab.

  19. Optimization of the solvent-based dissolution method to sample volatile organic compound vapors for compound-specific isotope analysis.

    Science.gov (United States)

    Bouchard, Daniel; Wanner, Philipp; Luo, Hong; McLoughlin, Patrick W; Henderson, James K; Pirkle, Robert J; Hunkeler, Daniel

    2017-10-20

    The methodology of the solvent-based dissolution method used to sample gas phase volatile organic compounds (VOC) for compound-specific isotope analysis (CSIA) was optimized to lower the method detection limits for TCE and benzene. The sampling methodology previously evaluated by [1] consists in pulling the air through a solvent to dissolve and accumulate the gaseous VOC. After the sampling process, the solvent can then be treated similarly as groundwater samples to perform routine CSIA by diluting an aliquot of the solvent into water to reach the required concentration of the targeted contaminant. Among solvents tested, tetraethylene glycol dimethyl ether (TGDE) showed the best aptitude for the method. TGDE has a great affinity with TCE and benzene, hence efficiently dissolving the compounds during their transition through the solvent. The method detection limit for TCE (5±1μg/m 3 ) and benzene (1.7±0.5μg/m 3 ) is lower when using TGDE compared to methanol, which was previously used (385μg/m 3 for TCE and 130μg/m 3 for benzene) [2]. The method detection limit refers to the minimal gas phase concentration in ambient air required to load sufficient VOC mass into TGDE to perform δ 13 C analysis. Due to a different analytical procedure, the method detection limit associated with δ 37 Cl analysis was found to be 156±6μg/m 3 for TCE. Furthermore, the experimental results validated the relationship between the gas phase TCE and the progressive accumulation of dissolved TCE in the solvent during the sampling process. Accordingly, based on the air-solvent partitioning coefficient, the sampling methodology (e.g. sampling rate, sampling duration, amount of solvent) and the final TCE concentration in the solvent, the concentration of TCE in the gas phase prevailing during the sampling event can be determined. Moreover, the possibility to analyse for TCE concentration in the solvent after sampling (or other targeted VOCs) allows the field deployment of the sampling

  20. Characterization and crystal structures of new Schiff base macrocyclic compounds

    Czech Academy of Sciences Publication Activity Database

    Khalaji, A.D.; Ghoran, S.H.; Pojarová, Michaela; Dušek, Michal

    2015-01-01

    Roč. 56, č. 7 (2015), s. 1410-1414 ISSN 0022-4766 R&D Projects: GA ČR(CZ) GA14-03276S Institutional support: RVO:68378271 Keywords : synthesis * macrocyclic Schiff base * single crystal structure analysis * spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.536, year: 2015

  1. Molecular Recognition: Detection of Colorless Compounds Based on Color Change

    Science.gov (United States)

    Khalafi, Lida; Kashani, Samira; Karimi, Javad

    2016-01-01

    A laboratory experiment is described in which students measure the amount of cetirizine in allergy-treatment tablets based on molecular recognition. The basis of recognition is competition of cetirizine with phenolphthalein to form an inclusion complex with ß-cyclodextrin. Phenolphthalein is pinkish under basic condition, whereas it's complex form…

  2. The discovery of bioisoster compound for plumbagin using the knowledge-based rational method

    Science.gov (United States)

    Jeong, Seo Hee; Choi, Jung Sup; Ko, Young Kwan; Kang, Nam Sook

    2015-04-01

    Arabidopsis thaliana 7-Keto-8-AminoPelargonic Acid Synthase (AtKAPAS) is a crucial herbicide target, and AtKAPAS inhibitors are widely available in the agrochemical market. The herbicide plumbagin is known as a potent inhibitor for AtKAPAS but it is extremely toxic. In this study, we identified the metabolic site of plumbagin and also performed a similarity-based library analysis using 2D fingerprints and a docking study. Four compounds as virtual hits were derived from plumbagin. Treatment of Digitaria ciliaris with compound 2, one of four hit compounds, stunted the growth of leaves and the leaf tissue was desiccated or burned within three days. Thus, we expect that compound 2 will be developed as a new herbicide and additionally our strategy will provide helpful information for optimizing lead compounds.

  3. Rule-based Approach on Extraction of Malay Compound Nouns in Standard Malay Document

    Science.gov (United States)

    Abu Bakar, Zamri; Kamal Ismail, Normaly; Rawi, Mohd Izani Mohamed

    2017-08-01

    Malay compound noun is defined as a form of words that exists when two or more words are combined into a single syntax and it gives a specific meaning. Compound noun acts as one unit and it is spelled separately unless an established compound noun is written closely from two words. The basic characteristics of compound noun can be seen in the Malay sentences which are the frequency of that word in the text itself. Thus, this extraction of compound nouns is significant for the following research which is text summarization, grammar checker, sentiments analysis, machine translation and word categorization. There are many research efforts that have been proposed in extracting Malay compound noun using linguistic approaches. Most of the existing methods were done on the extraction of bi-gram noun+noun compound. However, the result still produces some problems as to give a better result. This paper explores a linguistic method for extracting compound Noun from stand Malay corpus. A standard dataset are used to provide a common platform for evaluating research on the recognition of compound Nouns in Malay sentences. Therefore, an improvement for the effectiveness of the compound noun extraction is needed because the result can be compromised. Thus, this study proposed a modification of linguistic approach in order to enhance the extraction of compound nouns processing. Several pre-processing steps are involved including normalization, tokenization and tagging. The first step that uses the linguistic approach in this study is Part-of-Speech (POS) tagging. Finally, we describe several rules-based and modify the rules to get the most relevant relation between the first word and the second word in order to assist us in solving of the problems. The effectiveness of the relations used in our study can be measured using recall, precision and F1-score techniques. The comparison of the baseline values is very essential because it can provide whether there has been an improvement

  4. Food processing strategies to enhance phenolic compounds bioaccessibility and bioavailability in plant-based foods.

    Science.gov (United States)

    Ribas-Agustí, Albert; Martín-Belloso, Olga; Soliva-Fortuny, Robert; Elez-Martínez, Pedro

    2017-06-13

    Phenolic compounds are important constituents of plant-based foods, as their presence is related to protective effects on health. To exert their biological activity, phenolic compounds must be released from the matrix during digestion in an absorbable form (bioaccessible) and finally absorbed and transferred to the bloodstream (bioavailable). Chemical structure and matrix interactions are some food-related factors that hamper phenolic compounds bioaccessibility and bioavailability, and that can be counteracted by food processing. It has been shown that food processing can induce chemical or physical modifications in food that enhance phenolic compounds bioaccessibility and bioavailability. These changes include: (i) chemical modifications into more bioaccessible and bioavailable forms; (ii) cleavage of covalent or hydrogen bonds or hydrophobic forces that attach phenolic compounds to matrix macromolecules; (iii) damaging microstructural barriers such as cell walls that impede the release from the matrix; and (iv) create microstructures that protect phenolic compounds until they are absorbed. Indeed, food processing can produce degradation of phenolic compounds, however, it is possible to counteract it by modulating the operating conditions in favor of increased bioaccessibility and bioavailability. This review compiles the current knowledge on the effects of processing on phenolic compounds bioaccessibility or bioavailability, while suggesting new guidelines in the search of optimal processing conditions as a step forward towards the design of healthier foods.

  5. Schiff bases derived from 1-aminoanthraquinone: a new class of analgesic compounds

    International Nuclear Information System (INIS)

    Fareed, G.; Rizwan, G.H.; Fareed, N.

    2017-01-01

    A series of Schiff bases 1-17 were synthesised by way of a facile condensation between 1-amino-anthraquinone with a variety of carbonyl compounds in the presence of a catalytic amount of dodeca-tungstosilicic acid/P 2O5 under solvent free conditions at room temperature. These were charachterised by1H- and 13C-NMR, LCMS, FTIR and elemental analyses. All the compounds were screened for their analgesic activity using hot plate thermal stimuli method at dose of 10 and 30 mg/kg. Diclofenac sodium was used as a reference drug. All the compounds at dose of 10 and 30 mg/kg body weight showed the significant (p<0.05) increase in latency time as compared to control (normal saline). Compound 5 showed excellent activity after 120 min of drug administration (10 mg/kg) of body weight. Compound 10 was found to be potent (10.48+-1.19s, 11.27+-1.2s and 10.24+-1.9s) at dose of 30 mg/kg at 30, 60 and 120 min, respectively when compared to the standard drug. Compound 6 (10.13+-0.4s) was also found to be an excellent analgesic compound at a dose of 30 mg/kg at 120 min. However, the studies on analgesic activity revealed that some of the target compounds may be strong candidates as an analgesic drug. (author)

  6. Three-Party Quantum State Sharing of an Arbitrary Unknown Two-Qubit State Based on Entanglement Swapping and Bell-State Measurements

    International Nuclear Information System (INIS)

    Yuan Hao; Song Jun; Hou Kui; Hu Xiaoyuan; Shi Shouhua; Han Lianfang

    2009-01-01

    We propose a scheme for sharing an arbitrary unknown two-qubit state among three parties by using a four-qubit cluster-class state and a Bell state as a quantum channel. With a quantum controlled phase gate (QCPG) operation and a local unitary operation, any one of the two agents has the access to reconstruct the original state if he/she collaborates with the other one, whilst individual agent obtains no information. As all quantum resource can be used to carry the useful information, the intrinsic efficiency of qubits approaches the maximal value. Moreover, the present scheme is more feasible with present-day technique.

  7. Sensitivity of energy-packed compounds based on superfine and nanoporous silicon to pulsed electrical treatments

    Energy Technology Data Exchange (ETDEWEB)

    Zegrya, G. G. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Savenkov, G. G. [Saint-Petersburg State Engineering Institute (Technical University) (Russian Federation); Morozov, V. A. [Saint-Petersburg State University (Russian Federation); Zegrya, A. G.; Ulin, N. V., E-mail: Ulin@mail.ioffe.ru; Ulin, V. P. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Lukin, A. A. [Saint-Petersburg State Engineering Institute (Technical University) (Russian Federation); Bragin, V. A.; Oskin, I. A. [AO Scientific Production Association Poisk (Russian Federation); Mikhailov, Yu. M. [Russian Academy of Sciences, Institute of Problems of Chemical Physics (Russian Federation)

    2017-04-15

    The sensitivity of an energy-packed compound based on nanoporous silicon and calcium perchlorate to a high-current electron beam is studied. The initiation of explosive transformations in a mixture of potassium picrate with a highly dispersed powder of boron-doped silicon by means of a high-voltage discharge is examined. It is shown that explosive transformation modes (combustion and explosion) appear in the energy-packed compound under study upon its treatment with an electron beam. A relationship is established between the explosive transformation modes and the density of the energy-packed compound and between the breakdown (initiation) voltage and the mass fraction of the silicon powder.

  8. Unknown foundation determination for scour.

    Science.gov (United States)

    2012-04-01

    Unknown foundations affect about 9,000 bridges in Texas. For bridges over rivers, this creates a problem : regarding scour decisions as the calculated scour depth cannot be compared to the foundation depth, and a : very conservative costly approach m...

  9. Synthesis and Antimicrobial Activity of New Schiff Base Compounds Containing 2-Hydroxy-4-pentadecylbenzaldehyde Moiety

    Directory of Open Access Journals (Sweden)

    Gadada Naganagowda

    2014-01-01

    Full Text Available Various novel Schiff base compounds have been synthesized by reaction of 2-hydroxy-4-pentadecylbenzaldehyde with substituted benzothiophene-2-carboxylic acid hydrazide and different substituted aromatic or heterocyclic amines in the presence of acetic acid in ethanol. The structures of all these compounds were confirmed by elemental analysis, IR, 1H-NMR, 13C-NMR, and mass spectral data and have been screened for antibacterial and antifungal activity.

  10. Comments on possible preferential order-disorder in A-15 compounds based upon Nb

    International Nuclear Information System (INIS)

    Cox, D.E.

    1977-01-01

    The possible existence of preferential B-site disorder in A-15 compounds recently claimed on the basis of x-ray powder diffraction data but questioned from the viewpoint of known phase diagrams is examined for some Nb-based compounds of this type. It is concluded that x-ray powder data do not allow the determination of both order and compositional variables as suggested, and the latter must therefore be determined by some other method. (author)

  11. Performance Evaluation of Frequency Transform Based Block Classification of Compound Image Segmentation Techniques

    Science.gov (United States)

    Selwyn, Ebenezer Juliet; Florinabel, D. Jemi

    2018-04-01

    Compound image segmentation plays a vital role in the compression of computer screen images. Computer screen images are images which are mixed with textual, graphical, or pictorial contents. In this paper, we present a comparison of two transform based block classification of compound images based on metrics like speed of classification, precision and recall rate. Block based classification approaches normally divide the compound images into fixed size blocks of non-overlapping in nature. Then frequency transform like Discrete Cosine Transform (DCT) and Discrete Wavelet Transform (DWT) are applied over each block. Mean and standard deviation are computed for each 8 × 8 block and are used as features set to classify the compound images into text/graphics and picture/background block. The classification accuracy of block classification based segmentation techniques are measured by evaluation metrics like precision and recall rate. Compound images of smooth background and complex background images containing text of varying size, colour and orientation are considered for testing. Experimental evidence shows that the DWT based segmentation provides significant improvement in recall rate and precision rate approximately 2.3% than DCT based segmentation with an increase in block classification time for both smooth and complex background images.

  12. Nanoscale Device Properties of Tellurium-based Chalcogenide Compounds

    Science.gov (United States)

    Dahal, Bishnu R.

    The great progress achieved in miniaturization of microelectronic devices has now reached a distinct bottleneck, as devices are starting to approach the fundamental fabrication and performance limit. Even if a major breakthrough is made in the fabrication process, these scaled down electronic devices will not function properly since the quantum effects can no longer be neglected in the nanoscale regime. Advances in nanotechnology and new materials are driving novel technologies for future device applications. Current microelectronic devices have the smallest feature size, around 10 nm, and the industry is planning to switch away from silicon technology in the near future. The new technology will be fundamentally different. There are several leading technologies based on spintronics, tunneling transistors, and the newly discovered 2-dimensional material systems. All of these technologies are at the research level, and are far from ready for use in making devices in large volumes. This dissertation will focus on a very promising material system, Te-based chalcogenides, which have potential applications in spintronics, thermoelectricity and topological insulators that can lead to low-power-consumption electronics. Very recently it was predicted and experimentally observed that the spin-orbit interaction in certain materials can lead to a new electronic state called topological insulating phase. The topological insulator, like an ordinary insulator, has a bulk energy gap separating the highest occupied electronic band from the lowest empty band. However, the surface states in the case of a three-dimensional or edge states in a two-dimensional topological insulator allow electrons to conduct at the surface, due to the topological character of the bulk wavefunctions. These conducting states are protected by time-reversal symmetry, and cannot be eliminated by defects or chemical passivation. The edge/surface states satisfy Dirac dispersion relations, and hence the physics

  13. Image-based compound profiling reveals a dual inhibitor of tyrosine kinase and microtubule polymerization.

    Science.gov (United States)

    Tanabe, Kenji

    2016-04-27

    Small-molecule compounds are widely used as biological research tools and therapeutic drugs. Therefore, uncovering novel targets of these compounds should provide insights that are valuable in both basic and clinical studies. I developed a method for image-based compound profiling by quantitating the effects of compounds on signal transduction and vesicle trafficking of epidermal growth factor receptor (EGFR). Using six signal transduction molecules and two markers of vesicle trafficking, 570 image features were obtained and subjected to multivariate analysis. Fourteen compounds that affected EGFR or its pathways were classified into four clusters, based on their phenotypic features. Surprisingly, one EGFR inhibitor (CAS 879127-07-8) was classified into the same cluster as nocodazole, a microtubule depolymerizer. In fact, this compound directly depolymerized microtubules. These results indicate that CAS 879127-07-8 could be used as a chemical probe to investigate both the EGFR pathway and microtubule dynamics. The image-based multivariate analysis developed herein has potential as a powerful tool for discovering unexpected drug properties.

  14. AFFINITY BIOSENSOR BASED ON SCREEN-PRINTED ELECTRODE MODIFIED WITH DNA FOR GENOTOXIC COMPOUNDS DETECTION

    Directory of Open Access Journals (Sweden)

    Bambang Kuswandi

    2010-06-01

    Full Text Available An electrochemical method for the detection of the genotoxic compounds using a DNA-modified electrode was developed. This electrode was successfully used for the electrochemical detection of genotoxic compounds in water samples. The electrochemical results clearly demonstrated that, the development is related to the molecular interaction between the surface-linked DNA obtained from calf thymus and the target compounds, such as pollutants, in order to develop a simple device for rapid screening of genotoxic compounds in environmental samples. The detection of such compounds was measured by their effect on the oxidation signal of the guanine peak of the DNA immobilised on the surface of carbon based Screen-Printed Electrode (SPE in disposable mode, and monitored by square-wave voltametric analysis. The DNA biosensor is able to detect known intercalating and groove-binding genotoxic compounds such as Dioxin, Bisphenol A, PCBs, and Phtalates. Application to real water samples is discussed and reported.   Keywords: electrochemical, screen-printed electrode, DNA biosensor, genotoxic compounds

  15. Coexistence of magnetism and superconductivity in the hole doped FeAs-based superconducting compound

    International Nuclear Information System (INIS)

    Lu, T.P.; Wu, C.C.; Chou, W.H.; Lan, M.D.

    2010-01-01

    The magnetic and superconducting properties of the Sm-doped FeAs-based superconducting compound were investigated under wide ranges of temperature and magnetic field. After the systematical magnetic ion substitution, the superconducting transition temperature decreases with increasing magnetic moment. The hysteresis loop of the La 0.87-x Sm x Sr 0.13 FeAsO sample shows a superconducting hysteresis and a paramagnetic background signal. The paramagnetic signal is mainly attributed to the Sm moments. The experiment demonstrates that the coexistence of magnetism and superconductivity in the hole doped FeAs-based superconducting compounds is possible. Unlike the electron doped FeAs-based superconducting compounds SmFeAsOF, the hole doped superconductivity is degraded by the substitution of La by Sm. The hole-doped and electron-doped sides are not symmetric.

  16. Ligand efficiency based approach for efficient virtual screening of compound libraries.

    Science.gov (United States)

    Ke, Yi-Yu; Coumar, Mohane Selvaraj; Shiao, Hui-Yi; Wang, Wen-Chieh; Chen, Chieh-Wen; Song, Jen-Shin; Chen, Chun-Hwa; Lin, Wen-Hsing; Wu, Szu-Huei; Hsu, John T A; Chang, Chung-Ming; Hsieh, Hsing-Pang

    2014-08-18

    Here we report for the first time the use of fit quality (FQ), a ligand efficiency (LE) based measure for virtual screening (VS) of compound libraries. The LE based VS protocol was used to screen an in-house database of 125,000 compounds to identify aurora kinase A inhibitors. First, 20 known aurora kinase inhibitors were docked to aurora kinase A crystal structure (PDB ID: 2W1C); and the conformations of docked ligand were used to create a pharmacophore (PH) model. The PH model was used to screen the database compounds, and rank (PH rank) them based on the predicted IC50 values. Next, LE_Scale, a weight-dependant LE function, was derived from 294 known aurora kinase inhibitors. Using the fit quality (FQ = LE/LE_Scale) score derived from the LE_Scale function, the database compounds were reranked (PH_FQ rank) and the top 151 (0.12% of database) compounds were assessed for aurora kinase A inhibition biochemically. This VS protocol led to the identification of 7 novel hits, with compound 5 showing aurora kinase A IC50 = 1.29 μM. Furthermore, testing of 5 against a panel of 31 kinase reveals that it is selective toward aurora kinase A & B, with <50% inhibition for other kinases at 10 μM concentrations and is a suitable candidate for further development. Incorporation of FQ score in the VS protocol not only helped identify a novel aurora kinase inhibitor, 5, but also increased the hit rate of the VS protocol by improving the enrichment factor (EF) for FQ based screening (EF = 828), compared to PH based screening (EF = 237) alone. The LE based VS protocol disclosed here could be applied to other targets for hit identification in an efficient manner. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  17. Geometry-based multiplication correction for passive neutron coincidence assay of materials with variable and unknown (α,n) neutron rates

    International Nuclear Information System (INIS)

    Langner, D.G.; Russo, P.A.

    1993-02-01

    We have studied the problem of assaying impure plutonium-bearing materials using passive neutron coincidence counting. We have developed a technique to analyze neutron coincidence data from impure plutonium samples that uses the bulk geometry of the sample to correct for multiplication in samples for which the (α,n) neutron production rate is unknown. This technique can be applied to any impure plutonium-bearing material whose matrix constituents are approximately constant, whose self-multiplication is low to moderate, whose plutonium isotopic composition is known and not substantially varying, and whose bulk geometry is measurable or can be derived. This technique requires a set of reference materials that have well-characterized plutonium contents. These reference materials are measured once to derive a calibration that is specific to the neutron detector and the material. The technique has been applied to molten salt extraction residues, PuF 4 samples that have a variable salt matrix, and impure plutonium oxide samples. It is also applied to pure plutonium oxide samples for comparison. Assays accurate to 4% (1 σ) were obtained for impure samples measured in a High-Level Neutron Coincidence Counter II. The effects on the technique of variations in neutron detector efficiency with energy and the effects of neutron capture in the sample are discussed

  18. A new feedback image encryption scheme based on perturbation with dynamical compound chaotic sequence cipher generator

    Science.gov (United States)

    Tong, Xiaojun; Cui, Minggen; Wang, Zhu

    2009-07-01

    The design of the new compound two-dimensional chaotic function is presented by exploiting two one-dimensional chaotic functions which switch randomly, and the design is used as a chaotic sequence generator which is proved by Devaney's definition proof of chaos. The properties of compound chaotic functions are also proved rigorously. In order to improve the robustness against difference cryptanalysis and produce avalanche effect, a new feedback image encryption scheme is proposed using the new compound chaos by selecting one of the two one-dimensional chaotic functions randomly and a new image pixels method of permutation and substitution is designed in detail by array row and column random controlling based on the compound chaos. The results from entropy analysis, difference analysis, statistical analysis, sequence randomness analysis, cipher sensitivity analysis depending on key and plaintext have proven that the compound chaotic sequence cipher can resist cryptanalytic, statistical and brute-force attacks, and especially it accelerates encryption speed, and achieves higher level of security. By the dynamical compound chaos and perturbation technology, the paper solves the problem of computer low precision of one-dimensional chaotic function.

  19. Evaluating the mutagenic potential of aerosol organic compounds using informatics-based screening

    Science.gov (United States)

    Decesari, Stefano; Kovarich, Simona; Pavan, Manuela; Bassan, Arianna; Ciacci, Andrea; Topping, David

    2018-02-01

    Whilst general policy objectives to reduce airborne particulate matter (PM) health effects are to reduce exposure to PM as a whole, emerging evidence suggests that more detailed metrics associating impacts with different aerosol components might be needed. Since it is impossible to conduct toxicological screening on all possible molecular species expected to occur in aerosol, in this study we perform a proof-of-concept evaluation on the information retrieved from in silico toxicological predictions, in which a subset (N = 104) of secondary organic aerosol (SOA) compounds were screened for their mutagenicity potential. An extensive database search showed that experimental data are available for 13 % of the compounds, while reliable predictions were obtained for 82 %. A multivariate statistical analysis of the compounds based on their physico-chemical, structural, and mechanistic properties showed that 80 % of the compounds predicted as mutagenic were grouped into six clusters, three of which (five-membered lactones from monoterpene oxidation, oxygenated multifunctional compounds from substituted benzene oxidation, and hydroperoxides from several precursors) represent new candidate groups of compounds for future toxicological screenings. These results demonstrate that coupling model-generated compositions to in silico toxicological screening might enable more comprehensive exploration of the mutagenic potential of specific SOA components.

  20. Check specific compounds lyrics Saeb and Biddle, based on syntactic and semantic core composition

    Directory of Open Access Journals (Sweden)

    khodabakhsh asadollahi

    2016-02-01

    Full Text Available Saebe Tabrizi and Bidele Dehlavi of the most famous poets in Hindi, which each in turn, the Iranian branch and Hindi Hindi style, the lyrics have been changed in this period. Most scholars who have studied the poetry Biddle to research, Specific compounds as one of the most important factors in a monopoly ambiguity Biddle poetry and in the making and meaning of these compounds have less reflection. Here are the lyrics to rely on dictionary and Biddle, the Iranian branch of specific compounds in both Hindi and Hindi poetry style is investigated. Combining both his first two exocentric and endocentric compounds is assorted, Based on Syntactic relations, various models of deep structure and composition relationships is presented. Saeb specific compounds and Biddle in deep syntactic relations as diverse as the relationship between the finite, nominative, accusative, amendment and so on.The semantic structure, certain combinations of the two poets more varied combinations are commonplace in standard language, so that some of the compounds exist in terms of meaning in language

  1. Metabolomics-Based Screening of Biofilm-Inhibitory Compounds against Pseudomonas aeruginosa from Burdock Leaf

    Directory of Open Access Journals (Sweden)

    Zaixiang Lou

    2015-09-01

    Full Text Available Screening of anti-biofilm compounds from the burdock leaf based on metabolomics is reported here. The crystal violet assay indicated 34% ethanol elution fraction of burdock leaf could completely inhibit biofilm formation of Pseudomonas aeruginosa at 1 mg·mL−1. Then, the chemical composition of burdock leaf fraction was analyzed by ultra-performance liquid chromatography-mass spectrometry (UPLC-MS and 11 active compounds (chlorogenic acid, caffeic acid, p-coumaric acid, quercetin, ursolic acid, rutin, cynarin, luteolin, crocin, benzoic acid, and Tenacissoside I were identified. Lastly, UPLC-MS analysis was employed to obtain the metabolic fingerprints of burdock leaf fractions before and after inhibiting the biofilm of Pseudomonas aeruginosa. The metabolic fingerprints were transformed to data, analyzed with PLS-DA (partial least squares discriminant analysis and the peaks whose area was significantly changed were found out. Thus, 81 compounds were screened as potential anti-biofilm ingredients. Among them, rutin, ursolic acid, caffeic acid, p-coumaric acid and quercetin were identified and confirmed as the main anti-biofilm compounds in burdock leaf. The study provided basic anti-biofilm profile data for the compounds in burdock leaf, as well as provided a convenient method for fast screening of anti-biofilm compounds from natural plants.

  2. Recycling of Gamma Irradiated Inner Tubes in Butyl Based Rubber Compound

    International Nuclear Information System (INIS)

    Karaagac, B.

    2006-01-01

    Crosslinked elastomeric materials, such as tyres are of great challenge concerning the environmental and ecological reasons. Ionizing radiation seems to offer unique opportunities to tackle the problem of recycling of polymers and rubbers on account of its ability to cause chain scission and/or cross-linking of polymeric materials. There is only limited amount of work reported on the irradiation-induced degradation of rubbers. Unlike the majority of the elastomers with high levels of unsaturation, butyl rubber exhibits significant degradation by ionizing radiation action. In this study, recycling of gamma irradiated inner tubes made of butyl rubber in butyl based rubber compounds was studied. Used inner tubes were irradiated with gamma rays in air at 100 and 120 kGy absorbed doses. The compatibility of irradiated inner tubes with virgin butyl rubber was first investigated. Gamma irradiated inner tube wastes were replaced with butyl rubber up to 15 phr in the compound recipe. Similar recipes were also prepared by using the same quantity of commercial butyl rubber crumbs devulcanized by conventional methods. The rheological and mechanical properties and carbon black dispersion degree for both types of compounds prepared by using inner tubes scraps and commercial butyl crumbs were measured and were compared to the values of virgin butyl rubber compound. It is well known that mechanical properties are deteriorated when rubber crumb is added to the virgin compound. It was observed that the decrease in the mechanical properties was much lower for the compounds prepared from the tubes irradiated at 120 kGy than irradiated at 100 kGy. The better mechanical properties were obtained for the compounds prepared by recycling of irradiated inner tubes at 120 kGy than the compounds prepared by using commercial butyl crumbs. Almost similar carbon black distributions were observed for the all compounds studied. It has been concluded that gamma irradiated inner tubes are compatible

  3. Diagnostic Performance of F-18 FDG PET/CT in Patients with Cancer of Unknown Primary: Additional Benefit over CT-Based Conventional Work up

    Directory of Open Access Journals (Sweden)

    Mehrdad Bakhshayeshkaram

    2016-01-01

    Full Text Available Background: In the era of well-developed site-specific treatment strategies in cancer, identification of occult primary is of paramount importance in CUP patients. Furthermore, exact determination of the extent of the disease may help in optimizing treatment planning. The aim of the present study was to investigate additional value of F-18 FDG PET/CT in patients with cancer of unknown primary (CUP as an appropriate imaging tool in early phase of initial standard work up.Materials and Methods: Sixty-two newly diagnosed CUP patients with inconclusive diagnostic CT scan of chest, abdomen and pelvis referring for F-18 FDG PET/CT were enrolled in this study. Standard of reference was defined as histopathology, other diagnostic procedures and a 3-month formal clinical follow up. The results of PET/CT were categorized as suggestion for primary site and additional metastasis and classified as true positive, false positive, false negative and true negative. The impact of additional metastasis revealed by F-18 FDG PET/CT on treatment planning and the time contribution of F-18 FDG PET/CT in diagnostic pathway was investigated.Results: Sixty-two patients with mean age of 62 (30 men, 32 women, PET/CT correctly identified primary origin in 32% with false positive rate of 14.8%. No primary lesion was detected after negative PET/CT according to standard of reference. Sensitivity, Specificity and accuracy were 100%, 78% and 85%, respectively. Additional metastatic site was found in 56% with 22% impact on treatment planning. Time contribution for PET/CT was 10% of total diagnostic pathway.Conclusion: Providing higher detection rate of primary origin with excellent diagnostic performance, shortening the diagnostic pathway and improving treatment planning, F-18 FDG PET/CT may play a major role in diagnostic work up of CUP patients and may be recommended as an alternative imaging tool in early phase of investigation.

  4. Patterns of care and survival after a cancer of unknown primary (CUP) diagnosis: A population-based nested cohort study in Australian Government Department of Veterans' Affairs clients.

    Science.gov (United States)

    Schaffer, Andrea L; Pearson, Sallie-Anne; Dobbins, Timothy A; Er, Chuang C; Ward, Robyn L; Vajdic, Claire M

    2015-08-01

    Little is known about patterns of care after a cancer of unknown primary (CUP) diagnosis. We performed a retrospective cohort study to describe and compare the treatment, health service use and survival of patients with CUP and metastatic cancer of known primary among 143,956 Australian Government Department of Veterans' Affairs clients, 2004-2007. We randomly matched clients with CUP (C809; n=252) with clients with a first diagnosis of metastatic solid cancer of known primary (n=980). We ascertained health services from the month of diagnosis up to 2 months post-diagnosis for consultations, hospitalizations and emergency department visits, and up to 1 year for treatment. We compared cancer treatments using conditional logistic regression; consultation rates using negative binomial regression; and survival using stratified Cox regression. 30% of CUP patients and 70% of patients with known primary received cancer treatment and the median survival was 37 days and 310 days respectively. CUP patients received fewer cancer medicines (odds ratio (OR)=0.54, 95% confidence interval (CI) 0.33-0.89) and less cancer-related surgery (OR=0.25, 95% CI 0.15-0.41); males with CUP received more radiation therapy (OR=2.88, 95% CI 1.69-4.91). CUP patients had more primary care consultations (incidence rate ratio (IRR)=1.25, 95% CI 1.11-1.41), emergency department visits (IRR=1.86, 95% CI 1.50-2.31) and hospitalizations (IRR=1.18, 95% CI 1.03-1.35), and a higher risk of death within 30 days (hazard ratio=3.30, 95% CI 1.69-6.44). Patients with CUP receive less treatment but use more health services, which may reflect underlying patient and disease characteristics. Copyright © 2015 Commonwealth of Australia. Published by Elsevier Ltd.. All rights reserved.

  5. Contact-based ligand-clustering approach for the identification of active compounds in virtual screening

    Directory of Open Access Journals (Sweden)

    Mantsyzov AB

    2012-09-01

    Full Text Available Alexey B Mantsyzov,1 Guillaume Bouvier,2 Nathalie Evrard-Todeschi,1 Gildas Bertho11Université Paris Descartes, Sorbonne, Paris, France; 2Institut Pasteur, Paris, FranceAbstract: Evaluation of docking results is one of the most important problems for virtual screening and in silico drug design. Modern approaches for the identification of active compounds in a large data set of docked molecules use energy scoring functions. One of the general and most significant limitations of these methods relates to inaccurate binding energy estimation, which results in false scoring of docked compounds. Automatic analysis of poses using self-organizing maps (AuPosSOM represents an alternative approach for the evaluation of docking results based on the clustering of compounds by the similarity of their contacts with the receptor. A scoring function was developed for the identification of the active compounds in the AuPosSOM clustered dataset. In addition, the AuPosSOM efficiency for the clustering of compounds and the identification of key contacts considered as important for its activity, were also improved. Benchmark tests for several targets revealed that together with the developed scoring function, AuPosSOM represents a good alternative to the energy-based scoring functions for the evaluation of docking results.Keywords: scoring, docking, virtual screening, CAR, AuPosSOM

  6. Allocating monitoring effort in the face of unknown unknowns

    Science.gov (United States)

    Wintle, B.A.; Runge, M.C.; Bekessy, S.A.

    2010-01-01

    There is a growing view that to make efficient use of resources, ecological monitoring should be hypothesis-driven and targeted to address specific management questions. 'Targeted' monitoring has been contrasted with other approaches in which a range of quantities are monitored in case they exhibit an alarming trend or provide ad hoc ecological insights. The second form of monitoring, described as surveillance, has been criticized because it does not usually aim to discern between competing hypotheses, and its benefits are harder to identify a priori. The alternative view is that the existence of surveillance data may enable rapid corroboration of emerging hypotheses or help to detect important 'unknown unknowns' that, if undetected, could lead to catastrophic outcomes or missed opportunities. We derive a model to evaluate and compare the efficiency of investments in surveillance and targeted monitoring. We find that a decision to invest in surveillance monitoring may be defensible if: (1) the surveillance design is more likely to discover or corroborate previously unknown phenomena than a targeted design and (2) the expected benefits (or avoided costs) arising from discovery are substantially higher than those arising from a well-planned targeted design. Our examination highlights the importance of being explicit about the objectives, costs and expected benefits of monitoring in a decision analytic framework. ?? 2010 Blackwell Publishing Ltd/CNRS.

  7. Influence of Element Substitution on Corrosion Behavior of Bi2Te3-Based Compounds

    Science.gov (United States)

    Kohri, Hitoshi; Yagasaki, Takayoshi

    2018-02-01

    Atmospheric water may condense on the surface of Bi2Te3-based compounds constituting the Peltier module, depending on the operating environment used. In the stage of disposal, Bi2Te3-based compounds may come into contact with water in waste disposal sites. There are very few publications about the influence of condensed water on Peltier modules. Bi2Te3-Sb2Te3 or Bi2Te3-Bi2Se3 pseudo binary system compounds are used as p-type material or n-type material, respectively. The lattice distortion will be induced in the crystal of Bi2Te3-based compounds by element substitution due to the reduction in their thermal conductivity. However, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds remains unclear. In this study, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds with practical compositions has been investigated. Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 was prepared by the vertical Bridgman method. The electrochemical properties at room temperature were evaluated by cyclic voltammetry in a standard three-electrode cell. The working electrolyte was a naturally aerated 0.6 or 3.0 mass% NaCl solution. From the tendency for corrosion potential for all the samples, the corrosion sensitivity of ternary compounds was slightly higher than that of binary compounds. From the trend of current density, it was found that Bi0.5Sb1.5Te3 had a corrosion resistance intermediate between Bi2Te3 and Sb2Te3. On the other hand, corrosion resistance was affected despite a small amount of Se substitution, and the corrosion resistance of Bi2Te2.85Se0.15 was close to or lower than that of Bi2Se3. From the observation results of the corrosion products, the trends of morphology and composition of corrosion products for Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 were consistent with those of Sb2Te3 or Bi2Se3, respectively. From the results of x-ray photoelectron spectroscopy for the electrolyte after testing, the possibility that a

  8. Influence of Element Substitution on Corrosion Behavior of Bi2Te3-Based Compounds

    Science.gov (United States)

    Kohri, Hitoshi; Yagasaki, Takayoshi

    2018-06-01

    Atmospheric water may condense on the surface of Bi2Te3-based compounds constituting the Peltier module, depending on the operating environment used. In the stage of disposal, Bi2Te3-based compounds may come into contact with water in waste disposal sites. There are very few publications about the influence of condensed water on Peltier modules. Bi2Te3-Sb2Te3 or Bi2Te3-Bi2Se3 pseudo binary system compounds are used as p-type material or n-type material, respectively. The lattice distortion will be induced in the crystal of Bi2Te3-based compounds by element substitution due to the reduction in their thermal conductivity. However, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds remains unclear. In this study, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds with practical compositions has been investigated. Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 was prepared by the vertical Bridgman method. The electrochemical properties at room temperature were evaluated by cyclic voltammetry in a standard three-electrode cell. The working electrolyte was a naturally aerated 0.6 or 3.0 mass% NaCl solution. From the tendency for corrosion potential for all the samples, the corrosion sensitivity of ternary compounds was slightly higher than that of binary compounds. From the trend of current density, it was found that Bi0.5Sb1.5Te3 had a corrosion resistance intermediate between Bi2Te3 and Sb2Te3. On the other hand, corrosion resistance was affected despite a small amount of Se substitution, and the corrosion resistance of Bi2Te2.85Se0.15 was close to or lower than that of Bi2Se3. From the observation results of the corrosion products, the trends of morphology and composition of corrosion products for Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 were consistent with those of Sb2Te3 or Bi2Se3, respectively. From the results of x-ray photoelectron spectroscopy for the electrolyte after testing, the possibility that a

  9. Chiral halogenated Schiff base compounds: green synthesis, anticancer activity and DNA-binding study

    Science.gov (United States)

    Ariyaeifar, Mahnaz; Amiri Rudbari, Hadi; Sahihi, Mehdi; Kazemi, Zahra; Kajani, Abolghasem Abbasi; Zali-Boeini, Hassan; Kordestani, Nazanin; Bruno, Giuseppe; Gharaghani, Sajjad

    2018-06-01

    Eight enantiomerically pure halogenated Schiff base compounds were synthesized by reaction of halogenated salicylaldehydes with 3-Amino-1,2-propanediol (R or S) in water as green solvent at ambient temperature. All compounds were characterized by elemental analyses, NMR (1H and 13C), circular dichroism (CD) and FT-IR spectroscopy. FS-DNA binding studies of these compounds carried out by fluorescence quenching and UV-vis spectroscopy. The obtained results revealed that the ligands bind to DNA as: (Rsbnd ClBr) > (Rsbnd Cl2) > (Rsbnd Br2) > (Rsbnd I2) and (Ssbnd ClBr) > (Ssbnd Cl2) > (Ssbnd Br2) > (Ssbnd I2), indicating the effect of halogen on binding constant. In addition, DNA-binding constant of the Ssbnd and R-enantiomers are different from each other. The ligands can form halogen bonds with DNA that were confirmed by molecular docking. This method was also measured the bond distances and bond angles. The study of obtained data can have concluded that binding affinity of the ligands to DNA depends on strength of halogen bonds. The potential anticancer activity of ligands were also evaluated on MCF-7 and HeLa cancer cell lines by using MTT assay. The results showed that the anticancer activity and FS-DNA interaction is significantly dependent on the stereoisomers of Schiff base compounds as R-enantiomers displayed significantly higher activity than S-enantiomers. The molecular docking was also used to illustrate the specific DNA-binding of synthesized compounds and groove binding mode of DNA interaction was proposed for them. In addition, molecular docking results indicated that there are three types of bonds (Hsbnd and X-bond and hX-bond) between synthesized compounds and base pairs of DNA.

  10. Random mutagenesis in Corynebacterium glutamicum ATCC 13032 using an IS6100-based transposon vector identified the last unknown gene in the histidine biosynthesis pathway

    Directory of Open Access Journals (Sweden)

    Gaigalat Lars

    2006-08-01

    Full Text Available Abstract Background Corynebacterium glutamicum, a Gram-positive bacterium of the class Actinobacteria, is an industrially relevant producer of amino acids. Several methods for the targeted genetic manipulation of this organism and rational strain improvement have been developed. An efficient transposon mutagenesis system for the completely sequenced type strain ATCC 13032 would significantly advance functional genome analysis in this bacterium. Results A comprehensive transposon mutant library comprising 10,080 independent clones was constructed by electrotransformation of the restriction-deficient derivative of strain ATCC 13032, C. glutamicum RES167, with an IS6100-containing non-replicative plasmid. Transposon mutants had stable cointegrates between the transposon vector and the chromosome. Altogether 172 transposon integration sites have been determined by sequencing of the chromosomal inserts, revealing that each integration occurred at a different locus. Statistical target site analyses revealed an apparent absence of a target site preference. From the library, auxotrophic mutants were obtained with a frequency of 2.9%. By auxanography analyses nearly two thirds of the auxotrophs were further characterized, including mutants with single, double and alternative nutritional requirements. In most cases the nutritional requirement observed could be correlated to the annotation of the mutated gene involved in the biosynthesis of an amino acid, a nucleotide or a vitamin. One notable exception was a clone mutagenized by transposition into the gene cg0910, which exhibited an auxotrophy for histidine. The protein sequence deduced from cg0910 showed high sequence similarities to inositol-1(or 4-monophosphatases (EC 3.1.3.25. Subsequent genetic deletion of cg0910 delivered the same histidine-auxotrophic phenotype. Genetic complementation of the mutants as well as supplementation by histidinol suggests that cg0910 encodes the hitherto unknown

  11. Compound odontoma

    Directory of Open Access Journals (Sweden)

    Monica Yadav

    2012-01-01

    Full Text Available Odontomas have been extensively reported in the dental literature, and the term refers to tumors of odontogenic origin. Though the exact etiology is still unknown, the postulated causes include: local trauma, infection, inheritance and genetic mutation. The majority of the lesions are asymptomatic; however, may be accompanied with pain and swelling as secondary complaints in some cases. Here, we report a case of a compound odontome in a 14 year old patient.

  12. Leaching characteristics of calcium-based compounds in MSWI Residues: From the viewpoint of clogging risk.

    Science.gov (United States)

    Xia, Yi; Zhang, Hua; Phoungthong, Khamphe; Shi, Dong-Xiao; Shen, Wen-Hui; Shao, Li-Ming; He, Pin-Jing

    2015-08-01

    Leachate collection system (LCS) clogging caused by calcium precipitation would be disadvantageous to landfill stability and operation. Meanwhile, calcium-based compounds are the main constituents in both municipal solid waste incineration bottom ash (MSWIBA) and stabilized air pollution control residues (SAPCR), which would increase the risk of LCS clogging once these calcium-rich residues were disposed in landfills. The leaching behaviors of calcium from the four compounds and municipal solid waste incineration (MSWI) residues were studied, and the influencing factors on leaching were discussed. The results showed that pH was the crucial factor in the calcium leaching process. CaCO3 and CaSiO3 began leaching when the leachate pH decreased to less than 7 and 10, respectively, while Ca3(PO4)2 leached at pHleaching rate for the different calcium-based compounds is as follows: CaSiO3>Ca3(PO4)2>CaCO3. The calcium leaching from the MSWIBA and SAPCR separately started from pHleaching respectively, which was proven by the X-ray diffraction results. Based on the leaching characteristics of the different calcium compounds and the mineral phase of calcium in the incineration residues, simulated computation of their clogging potential was conducted, providing the theoretical basis for the risk assessment pertaining to LCS clogging in landfills. Copyright © 2015 Elsevier Ltd. All rights reserved.

  13. FilTer BaSe: A web accessible chemical database for small compound libraries.

    Science.gov (United States)

    Kolte, Baban S; Londhe, Sanjay R; Solanki, Bhushan R; Gacche, Rajesh N; Meshram, Rohan J

    2018-03-01

    Finding novel chemical agents for targeting disease associated drug targets often requires screening of large number of new chemical libraries. In silico methods are generally implemented at initial stages for virtual screening. Filtering of such compound libraries on physicochemical and substructure ground is done to ensure elimination of compounds with undesired chemical properties. Filtering procedure, is redundant, time consuming and requires efficient bioinformatics/computer manpower along with high end software involving huge capital investment that forms a major obstacle in drug discovery projects in academic setup. We present an open source resource, FilTer BaSe- a chemoinformatics platform (http://bioinfo.net.in/filterbase/) that host fully filtered, ready to use compound libraries with workable size. The resource also hosts a database that enables efficient searching the chemical space of around 348,000 compounds on the basis of physicochemical and substructure properties. Ready to use compound libraries and database presented here is expected to aid a helping hand for new drug developers and medicinal chemists. Copyright © 2017 Elsevier Inc. All rights reserved.

  14. Targeting Anti-Cancer Active Compounds: Affinity-Based Chromatographic Assays

    OpenAIRE

    de Moraes, Marcela Cristina; Cardoso, Carmen Lucia; Seidl, Claudia; Moaddel, Ruin; Cass, Quezia Bezerra

    2016-01-01

    Affinity-based chromatography assays encompass the use of solid supports containing immobilized biological targets to monitor binding events in the isolation , identification and/or characterization of bioactive compounds. This powerful bioanalytical technique allows the screening of potential binders through fast analyses that can be directly performed using isolated substances or complex matrices. An overview of the recent researches in frontal and zonal affinity-based chromatography screen...

  15. Structure-based virtual screening and characterization of a novel IL-6 antagonistic compound from synthetic compound database

    Directory of Open Access Journals (Sweden)

    Wang J

    2016-12-01

    Full Text Available Jing Wang,1,* Chunxia Qiao,1,* He Xiao,1 Zhou Lin,1 Yan Li,1 Jiyan Zhang,1 Beifen Shen,1 Tinghuan Fu,2 Jiannan Feng1 1Department of Molecular Immunology, Beijing Institute of Basic Medical Sciences, 2First Affiliated Hospital of PLA General Hospital, Beijing, People’s Republic of China *These authors contributed equally to this work Abstract: According to the three-dimensional (3D complex structure of (hIL-6·hIL-6R·gp 1302 and the binding orientation of hIL-6, three compounds with high affinity to hIL-6R and bioactivity to block hIL-6 in vitro were screened theoretically from the chemical databases, including 3D-Available Chemicals Directory (ACD and MDL Drug Data Report (MDDR, by means of the computer-guided virtual screening method. Using distance geometry, molecular modeling and molecular dynamics trajectory analysis methods, the binding mode and binding energy of the three compounds were evaluated theoretically. Enzyme-linked immunosorbent assay analysis demonstrated that all the three compounds could block IL-6 binding to IL-6R specifically. However, only compound 1 could effectively antagonize the function of hIL-6 and inhibit the proliferation of XG-7 cells in a dose-dependent manner, whereas it showed no cytotoxicity to SP2/0 or L929 cells. These data demonstrated that the compound 1 could be a promising candidate of hIL-6 antagonist. Keywords: virtual screening, structural optimization, human interlukin-6, small molecular antagonist, XG-7 cells, apoptosis

  16. Multi-class Mode of Action Classification of Toxic Compounds Using Logic Based Kernel Methods.

    Science.gov (United States)

    Lodhi, Huma; Muggleton, Stephen; Sternberg, Mike J E

    2010-09-17

    Toxicity prediction is essential for drug design and development of effective therapeutics. In this paper we present an in silico strategy, to identify the mode of action of toxic compounds, that is based on the use of a novel logic based kernel method. The technique uses support vector machines in conjunction with the kernels constructed from first order rules induced by an Inductive Logic Programming system. It constructs multi-class models by using a divide and conquer reduction strategy that splits multi-classes into binary groups and solves each individual problem recursively hence generating an underlying decision list structure. In order to evaluate the effectiveness of the approach for chemoinformatics problems like predictive toxicology, we apply it to toxicity classification in aquatic systems. The method is used to identify and classify 442 compounds with respect to the mode of action. The experimental results show that the technique successfully classifies toxic compounds and can be useful in assessing environmental risks. Experimental comparison of the performance of the proposed multi-class scheme with the standard multi-class Inductive Logic Programming algorithm and multi-class Support Vector Machine yields statistically significant results and demonstrates the potential power and benefits of the approach in identifying compounds of various toxic mechanisms. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Financial Development and Economic Growth: Known Knowns, Known Unknowns, and Unknown Unknowns

    OpenAIRE

    Ugo Panizza

    2014-01-01

    This paper summarizes the main findings of the literature on the relationship between financial and economic development (the known knowns), points to directions for future research (the known unknowns), and then speculates on the third Rumsfeldian category. The known knowns section organizes the empirical literature on finance and growth into three strands: (i) the traditional literature which established the link between finance and growth; (ii) the new literature which qualified some of th...

  18. Most oxidative stress response in water samples comes from unknown chemicals: the need for effect-based water quality trigger values.

    Science.gov (United States)

    Escher, Beate I; van Daele, Charlotte; Dutt, Mriga; Tang, Janet Y M; Altenburger, Rolf

    2013-07-02

    The induction of adaptive stress response pathways is an early and sensitive indicator of the presence of chemical and non-chemical stressors in cells. An important stress response is the Nrf-2 mediated oxidative stress response pathway where electrophilic chemicals or chemicals that cause the formation of reactive oxygen species initiate the production of antioxidants and metabolic detoxification enzymes. The AREc32 cell line is sensitive to chemicals inducing oxidative stress and has been previously applied for water quality monitoring of organic micropollutants and disinfection byproducts. Here we propose an algorithm for the derivation of effect-based water quality trigger values for this end point that is based on the combined effects of mixtures of regulated chemicals. Mixture experiments agreed with predictions by the mixture toxicity concept of concentration addition. The responses in the AREc32 and the concentrations of 269 individual chemicals were quantified in nine environmental samples, ranging from treated effluent, recycled water, stormwater to drinking water. The effects of the detected chemicals could explain less than 0.1% of the observed induction of the oxidative stress response in the sample, affirming the need to use effect-based trigger values that account for all chemicals present.

  19. Multi-view 3D echocardiography compounding based on feature consistency

    Science.gov (United States)

    Yao, Cheng; Simpson, John M.; Schaeffter, Tobias; Penney, Graeme P.

    2011-09-01

    Echocardiography (echo) is a widely available method to obtain images of the heart; however, echo can suffer due to the presence of artefacts, high noise and a restricted field of view. One method to overcome these limitations is to use multiple images, using the 'best' parts from each image to produce a higher quality 'compounded' image. This paper describes our compounding algorithm which specifically aims to reduce the effect of echo artefacts as well as improving the signal-to-noise ratio, contrast and extending the field of view. Our method weights image information based on a local feature coherence/consistency between all the overlapping images. Validation has been carried out using phantom, volunteer and patient datasets consisting of up to ten multi-view 3D images. Multiple sets of phantom images were acquired, some directly from the phantom surface, and others by imaging through hard and soft tissue mimicking material to degrade the image quality. Our compounding method is compared to the original, uncompounded echocardiography images, and to two basic statistical compounding methods (mean and maximum). Results show that our method is able to take a set of ten images, degraded by soft and hard tissue artefacts, and produce a compounded image of equivalent quality to images acquired directly from the phantom. Our method on phantom, volunteer and patient data achieves almost the same signal-to-noise improvement as the mean method, while simultaneously almost achieving the same contrast improvement as the maximum method. We show a statistically significant improvement in image quality by using an increased number of images (ten compared to five), and visual inspection studies by three clinicians showed very strong preference for our compounded volumes in terms of overall high image quality, large field of view, high endocardial border definition and low cavity noise.

  20. Multi-view 3D echocardiography compounding based on feature consistency

    International Nuclear Information System (INIS)

    Yao Cheng; Schaeffter, Tobias; Penney, Graeme P; Simpson, John M

    2011-01-01

    Echocardiography (echo) is a widely available method to obtain images of the heart; however, echo can suffer due to the presence of artefacts, high noise and a restricted field of view. One method to overcome these limitations is to use multiple images, using the 'best' parts from each image to produce a higher quality 'compounded' image. This paper describes our compounding algorithm which specifically aims to reduce the effect of echo artefacts as well as improving the signal-to-noise ratio, contrast and extending the field of view. Our method weights image information based on a local feature coherence/consistency between all the overlapping images. Validation has been carried out using phantom, volunteer and patient datasets consisting of up to ten multi-view 3D images. Multiple sets of phantom images were acquired, some directly from the phantom surface, and others by imaging through hard and soft tissue mimicking material to degrade the image quality. Our compounding method is compared to the original, uncompounded echocardiography images, and to two basic statistical compounding methods (mean and maximum). Results show that our method is able to take a set of ten images, degraded by soft and hard tissue artefacts, and produce a compounded image of equivalent quality to images acquired directly from the phantom. Our method on phantom, volunteer and patient data achieves almost the same signal-to-noise improvement as the mean method, while simultaneously almost achieving the same contrast improvement as the maximum method. We show a statistically significant improvement in image quality by using an increased number of images (ten compared to five), and visual inspection studies by three clinicians showed very strong preference for our compounded volumes in terms of overall high image quality, large field of view, high endocardial border definition and low cavity noise.

  1. Intraabdominal abscessus of unknown etiology

    Directory of Open Access Journals (Sweden)

    Čolović Radoje

    2012-01-01

    Full Text Available Introduction. Intraabdominal abscesses are in 98-99% cases the result of secondary and only in 1-2% of primary peritonitis. They are easy and successfully diagnosed. Abdominal abscesses of unknown cause are extremely rare. Case Outline. The authors present a 68-year-old man, without significant data in past history, who suddenly developed epigastric pain, nausea, vomiting and leukocytosis which was treated with antibiotics resulting in the alleviation of complaints and reduction of white blood cells count. After five days ultrasonography showed incapsulated collection of dense fluid in the epigastrium confirmed by CT scan two days later. Upper endoscopy excluded ulcer and/or perforation of the stomach and duodenum. Under local anesthesia, through the upper part of the left rectal muscle, puncture followed by incision was done, and about 50 ml of dense pus was removed. Finger exploration of the cavity showed no foreign body within the cavity. Using drainage, the recovery was quick and uneventful. By preoperative and postoperative abdominal investigations no cause of the abscess was found. Two and a half years after surgery the patient remained symptom-free with normal clinical, laboratory and ultrasonographic findings. Conclusion. The authors presented an intraabdominal abscess of unknown cause that was successfully treated with antibiotics, percutaneous puncture and drainage under local anaesthesia. In spite of all diagnostic methods the cause of the abscess could not be found. Thus, such a possibility, although being rare, should be taken into account.

  2. The radiation chemistry of the purine bases within DNA and related model compounds

    International Nuclear Information System (INIS)

    Cadet, J.; Berger, M.; Shaw, A.

    1986-01-01

    Both the direct and indirect effects of ionizing radiations are believed to contribute to the chemical changes induced in cellular DNA. Relevant information on the possible degradation pathways has been provided by studies using DNA model compounds, the major proportion of which have focused on pyrimidine components and sugar derivatives. With the development of powerful analytical tools such as high performance liquid chromatography and soft ionization mass spectrometry techniques, progress has recently been made in the elucidation of the nature of the radiation-induced chemical modifications of purine bases in DNA and related nucleosides and nucleotides. This short review details recent aspects of the radiation-induced degradation of adenine and guanine bases in DNA and its model compounds as the result of both direct and indirect effects. 11 refs., 2 figs., 1 tab

  3. Methylene-Cycloalkylacetate (MCA) Scaffold-Based Compounds as Novel Neurotropic Agents.

    Science.gov (United States)

    Lankri, David; Haham, Dikla; Lahiani, Adi; Lazarovici, Philip; Tsvelikhovsky, Dmitry

    2018-04-18

    One of the main symptoms in degenerative diseases is death of neuronal cell followed by the loss of neuronal pathways. In neuronal cultures, neurite outgrowths are cell sprouts capable of transforming into either axons or dendrites, to further form functional neuronal synaptic connections. Such connections have an important role in brain cognition, neuronal plasticity, neuronal survival, and regeneration. Therefore, drugs that stimulate neurite outgrowth may be found beneficial in ameliorating neural degeneration. Here, we establish the existence of a unique family of methylene-cycloalkylacetate-based molecules (MCAs) that interface with neuronal cell properties and operate as acceptable pharmacophores for a novel neurotropic (neurite outgrowth inducing) lead compounds. Using an established PC12 cell bioassay, we investigated the neurotropic effect of methylene-cycloalkylacetate compounds by comparison to NGF, a known neurotropic factor. Micrographs of the cells were collected by using a light microscope camera, and digitized photographs were analyzed for compound-induced neurotropic activity using an NIH image protocol. The results indicate that the alkene element, integrated within the cycloalkylacetate core, is indispensable for neurotropic activity. The discovered lead compounds need further mechanistic investigation and may be improved toward development of a neurotropic drug.

  4. Development of fluorescence imaging-based assay for screening cardioprotective compounds from medicinal plants.

    Science.gov (United States)

    Wang, Yi; Zhao, Xiaoping; Gao, Xiumei; Nie, Xiaojing; Yang, Yingxin; Fan, Xiaohui

    2011-09-19

    Medicinal plants have been widely recognized as a renewable resource for the discovery of novel leads and drug. In this study, an approach for screening and identification compounds with cardioprotective activity from medicinal plant extracts by cellular-fluorescence imaging technique was developed. It is a cell-based assay for measuring mitochondrial membrane potential changes in H9c2 cardiac muscle cells exposed to H(2)O(2) by using a fluorescence automatic microscopy screening platform. Rhodamine 123 was used as the fluorescent dye to indicate the change of mitochondrial membrane potential. The sensitivity and linear range of the proposed approach were evaluated and validated using vitamin C, an antioxidative compound. The method was applied to screen active components with potent cardioprotective effects from a traditional Chinese formula. The potential cardioprotective components were identified by liquid chromatography coupled with mass spectrometry (LC/MS). Moreover, the utility of the proposed approach was further validated by three compounds (salvianolic acid B, protocatechuic aldehyde, and tanshinone II A) identified from the formula which showed cardioprotective effects in a dose-dependent manner. These applications suggested that the proposed rapid and sensitive screening approach offers an efficient way to discover active components or compounds from medicinal plants. Copyright © 2011 Elsevier B.V. All rights reserved.

  5. NPACT: Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database.

    Science.gov (United States)

    Mangal, Manu; Sagar, Parul; Singh, Harinder; Raghava, Gajendra P S; Agarwal, Subhash M

    2013-01-01

    Plant-derived molecules have been highly valued by biomedical researchers and pharmaceutical companies for developing drugs, as they are thought to be optimized during evolution. Therefore, we have collected and compiled a central resource Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database (NPACT, http://crdd.osdd.net/raghava/npact/) that gathers the information related to experimentally validated plant-derived natural compounds exhibiting anti-cancerous activity (in vitro and in vivo), to complement the other databases. It currently contains 1574 compound entries, and each record provides information on their structure, manually curated published data on in vitro and in vivo experiments along with reference for users referral, inhibitory values (IC(50)/ED(50)/EC(50)/GI(50)), properties (physical, elemental and topological), cancer types, cell lines, protein targets, commercial suppliers and drug likeness of compounds. NPACT can easily be browsed or queried using various options, and an online similarity tool has also been made available. Further, to facilitate retrieval of existing data, each record is hyperlinked to similar databases like SuperNatural, Herbal Ingredients' Targets, Comparative Toxicogenomics Database, PubChem and NCI-60 GI(50) data.

  6. Assessment of combinations of antiandrogenic compounds vinclozolin and flutamide in a yeast based reporter assay.

    Science.gov (United States)

    Kolle, Susanne N; Melching-Kollmuss, Stephanie; Krennrich, Gerhard; Landsiedel, Robert; van Ravenzwaay, Bennard

    2011-08-01

    Humans are exposed to a combination of various substances such as cosmetic ingredients, drugs, biocides, pesticides and natural-occurring substances in food. The combined toxicological effects of two or more substances can simply be additive on the basis of response-addition, or it can be greater (synergistic) or smaller (antagonistic) than this. The need to assess combined effects of compounds with endocrine activity is currently discussed for regulatory risk assessment. We have used a well described yeast based androgen receptor transactivation assay YAS to assess the combinatorial effects of vinclozolin and flutamide; both mediating antiandrogenicity via the androgen receptor. Both vinclozolin and flutamide were antiandrogens of similar potency in the YAS assay. In the concentration range tested the two antiandrogens vinclozolin and flutamide did not act synergistically. Concentration additivity was observed in the linear, non-receptor-saturated concentration range. At high concentrations of one of the two substances tested the contribution of the second at lower concentration levels was less than additive. The combined response of both compounds at high concentration levels was also less than additive (saturation effect). At concentration levels which did not elicit a response of the individual compounds, the combination of these compounds also did not elicit a response. Copyright © 2011 Elsevier Inc. All rights reserved.

  7. NPACT: Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database

    Science.gov (United States)

    Mangal, Manu; Sagar, Parul; Singh, Harinder; Raghava, Gajendra P. S.; Agarwal, Subhash M.

    2013-01-01

    Plant-derived molecules have been highly valued by biomedical researchers and pharmaceutical companies for developing drugs, as they are thought to be optimized during evolution. Therefore, we have collected and compiled a central resource Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database (NPACT, http://crdd.osdd.net/raghava/npact/) that gathers the information related to experimentally validated plant-derived natural compounds exhibiting anti-cancerous activity (in vitro and in vivo), to complement the other databases. It currently contains 1574 compound entries, and each record provides information on their structure, manually curated published data on in vitro and in vivo experiments along with reference for users referral, inhibitory values (IC50/ED50/EC50/GI50), properties (physical, elemental and topological), cancer types, cell lines, protein targets, commercial suppliers and drug likeness of compounds. NPACT can easily be browsed or queried using various options, and an online similarity tool has also been made available. Further, to facilitate retrieval of existing data, each record is hyperlinked to similar databases like SuperNatural, Herbal Ingredients’ Targets, Comparative Toxicogenomics Database, PubChem and NCI-60 GI50 data. PMID:23203877

  8. An alkali ion source based on graphite intercalation compounds for ion mobility spectrometry

    International Nuclear Information System (INIS)

    Tabrizchi, Mahmoud; Hosseini, Zahra S

    2008-01-01

    A variety of alkali cation emitters were developed as the ion source for ion mobility spectrometry. The cation emitters were constructed based on alkali ion graphite intercalation compounds (GICs). The compounds were prepared by fusing alkali salts with ground graphite. In order to produce alkali ions, the compounds were loaded on a filament and heated to red. Reactant ions of the form alk + ions were observed for the alkali salts NaCl, KCl.LiCl, CsCl and SrCl. In addition to Na + ions, K + ions were observed at the beginning of thermionic emission from Na-GIC. This is due to the low ionization potential of potassium that exists in trace amounts in sodium salts. In addition to the potassium ion, Na + was observed in the case of LiCl salt. The Na + and K + peaks originating from impurities totally disappeared after about 40 min. However, the thermionic emission of the main ion of the corresponding salt lasted for several days. No negative ions were observed upon reversing the drift field. Selected organic compounds (methyl isobutyl ketone, dimethyl sulfoxide, acetone and tetrahydrofuran) were also ionized via alkali cation attachment reaction. Distinct ion mobility patterns were observed for different substances using one type of alkali reactant ion. However, the ion mobility pattern for a given substance changed when a different alkali reactant ion was used. Ammonia and amines were not ionized when this source was used

  9. O-methylation of natural phenolic compounds based on green chemistry using dimethyl carbonate

    Science.gov (United States)

    Prakoso, N. I.; Pangestu, P. H.; Wahyuningsih, T. D.

    2016-02-01

    The alkyl aryl ether compounds, of which methyl eugenol and veratraldehyde are the simplest intermediates can be synthesized by reacting eugenol and vanillin with the green reagent dimethyl carbonate (DMC). The reaction was carried out under mild of temperature and pressure. Excellent yields and selective products were obtained (95-96%) after a few hours. In the end of the reaction, the catalysts (base and Phase Transfer Catalyst) can be recovered and regenerated.

  10. Stochastic Interest Model Based on Compound Poisson Process and Applications in Actuarial Science

    OpenAIRE

    Li, Shilong; Yin, Chuancun; Zhao, Xia; Dai, Hongshuai

    2017-01-01

    Considering stochastic behavior of interest rates in financial market, we construct a new class of interest models based on compound Poisson process. Different from the references, this paper describes the randomness of interest rates by modeling the force of interest with Poisson random jumps directly. To solve the problem in calculation of accumulated interest force function, one important integral technique is employed. And a conception called the critical value is introduced to investigat...

  11. Standard Test Method for Preparing Aircraft Cleaning Compounds, Liquid Type, Water Base, for Storage Stability Testing

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2002-01-01

    1.1 This test method covers the determination of the stability in storage, of liquid, water-base chemical cleaning compounds, used to clean the exterior surfaces of aircraft. 1.2 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use.

  12. Environmentally Friendly Procedure Based on Supercritical Fluid Chromatography and Tandem Mass Spectrometry Molecular Networking for the Discovery of Potent Antiviral Compounds from Euphorbia semiperfoliata.

    Science.gov (United States)

    Nothias, Louis-Félix; Boutet-Mercey, Stéphanie; Cachet, Xavier; De La Torre, Erick; Laboureur, Laurent; Gallard, Jean-François; Retailleau, Pascal; Brunelle, Alain; Dorrestein, Pieter C; Costa, Jean; Bedoya, Luis M; Roussi, Fanny; Leyssen, Pieter; Alcami, José; Paolini, Julien; Litaudon, Marc; Touboul, David

    2017-10-27

    A supercritical fluid chromatography-based targeted purification procedure using tandem mass spectrometry and molecular networking was developed to analyze, annotate, and isolate secondary metabolites from complex plant extract mixture. This approach was applied for the targeted isolation of new antiviral diterpene esters from Euphorbia semiperfoliata whole plant extract. The analysis of bioactive fractions revealed that unknown diterpene esters, including jatrophane esters and phorbol esters, were present in the samples. The purification procedure using semipreparative supercritical fluid chromatography led to the isolation and identification of two new jatrophane esters (13 and 14) and one known (15) and three new 4-deoxyphorbol esters (16-18). The structure and absolute configuration of compound 16 were confirmed by X-ray crystallography. This compound was found to display antiviral activity against Chikungunya virus (EC 50 = 0.45 μM), while compound 15 proved to be a potent and selective inhibitor of HIV-1 replication in a recombinant virus assay (EC 50 = 13 nM). This study showed that a supercritical fluid chromatography-based protocol and molecular networking can facilitate and accelerate the discovery of bioactive small molecules by targeting molecules of interest, while minimizing the use of toxic solvents.

  13. Carbon Nanomaterials Based Electrochemical Sensors/Biosensors for the Sensitive Detection of Pharmaceutical and Biological Compounds

    Directory of Open Access Journals (Sweden)

    Bal-Ram Adhikari

    2015-09-01

    Full Text Available Electrochemical sensors and biosensors have attracted considerable attention for the sensitive detection of a variety of biological and pharmaceutical compounds. Since the discovery of carbon-based nanomaterials, including carbon nanotubes, C60 and graphene, they have garnered tremendous interest for their potential in the design of high-performance electrochemical sensor platforms due to their exceptional thermal, mechanical, electronic, and catalytic properties. Carbon nanomaterial-based electrochemical sensors have been employed for the detection of various analytes with rapid electron transfer kinetics. This feature article focuses on the recent design and use of carbon nanomaterials, primarily single-walled carbon nanotubes (SWCNTs, reduced graphene oxide (rGO, SWCNTs-rGO, Au nanoparticle-rGO nanocomposites, and buckypaper as sensing materials for the electrochemical detection of some representative biological and pharmaceutical compounds such as methylglyoxal, acetaminophen, valacyclovir, β-nicotinamide adenine dinucleotide hydrate (NADH, and glucose. Furthermore, the electrochemical performance of SWCNTs, rGO, and SWCNT-rGO for the detection of acetaminophen and valacyclovir was comparatively studied, revealing that SWCNT-rGO nanocomposites possess excellent electrocatalytic activity in comparison to individual SWCNT and rGO platforms. The sensitive, reliable and rapid analysis of critical disease biomarkers and globally emerging pharmaceutical compounds at carbon nanomaterials based electrochemical sensor platforms may enable an extensive range of applications in preemptive medical diagnostics.

  14. [Focal myositis: An unknown disease].

    Science.gov (United States)

    Gallay, L; Streichenberger, N; Benveniste, O; Allenbach, Y

    2017-10-01

    Focal myositis are inflammatory muscle diseases of unknown origin. At the opposite from the other idiopathic inflammatory myopathies, they are restricted to a single muscle or to a muscle group. They are not associated with extramuscular manifestations, and they have a good prognosis without any treatment. They are characterized by a localized swelling affecting mostly lower limbs. The pseudo-tumor can be painful, but is not associated with a muscle weakness. Creatine kinase level is normal. Muscle MRI shows an inflammation restricted to a muscle or a muscle group. Muscle biopsy and pathological analysis remain necessary for the diagnosis, showing inflammatory infiltrates composed by macrophages and lymphocytes without any specific distribution within the muscle. Focal overexpression of HLA-1 by the muscle fibers is frequently observed. The muscle biopsy permits to rule out differential diagnosis such a malignancy (sarcoma). Spontaneous remission occurs within weeks or months after the first symptoms, relapse is unusual. Copyright © 2017. Published by Elsevier SAS.

  15. Standardization of Tragopogon graminifolius DC. Extract Based on Phenolic Compounds and Antioxidant Activity

    Directory of Open Access Journals (Sweden)

    Mohammad Hosein Farzaei

    2014-01-01

    Full Text Available Tragopogon graminifolius DC. (TG, Compositae family, is traditionally used for the treatment of various diseases like gastrointestinal and hepatic disorders. The aim of the present study is to standardize extracts from TG used for preparation of different dosage forms in traditional Iranian medicine (TIM based on phenolic compounds. For this purpose, total phenolic content and some phenolic compounds were determined in ethanolic extracts from aerial part and root of TG by HPLC method. Furthermore, antioxidant activity was evaluated using DPPH-HPLC methods. Caffeic acid, gallic acid, ρ-coumaric acid, ferulic acid, and catechin were detected in root and aerial part of TG. ρ-Coumaric acid (6.357 ± 0.014 mg·g−1 was dominant phenolic compound in aerial part followed by ferulic acid (1.24 ± 0.018 mg·g−1. Also, ρ-coumaric acid (2.685 ± 0.031 mg·g−1 was highly abundant in root, followed by catechin (2.067 ± 0.021 mg·g−1. Antioxidant activity of root extract (460.45 ± 0.78 µg Vit.E.E·mL−1 was better than that of aerial part. Generally, phenolic compounds are one of the major constituents of TG and could be used as markers for standardization of dosage forms prepared from this plant. Also, TG demonstrated significant antioxidant activity using DPPH-HPLC method. Phenolic compounds of TG may be responsible for its marked antioxidant properties.

  16. Targeting Anti-Cancer Active Compounds: Affinity-Based Chromatographic Assays

    Science.gov (United States)

    de Moraes, Marcela Cristina; Cardoso, Carmen Lucia; Seidl, Claudia; Moaddel, Ruin; Cass, Quezia Bezerra

    2016-01-01

    Affinity-based chromatography assays encompass the use of solid supports containing immobilized biological targets to monitor binding events in the isolation , identification and/or characterization of bioactive compounds. This powerful bioanalytical technique allows the screening of potential binders through fast analyses that can be directly performed using isolated substances or complex matrices. An overview of the recent researches in frontal and zonal affinity-based chromatography screening assays, which has been used as a tool in the identification and characterization of new anti-cancer agents, is discussed. In addition, a critical evaluation of the recently emerged ligands fishing assays in complex mixtures is also discussed. PMID:27306095

  17. USING H.264/AVC-INTRA FOR DCT BASED SEGMENTATION DRIVEN COMPOUND IMAGE COMPRESSION

    Directory of Open Access Journals (Sweden)

    S. Ebenezer Juliet

    2011-08-01

    Full Text Available This paper presents a one pass block classification algorithm for efficient coding of compound images which consists of multimedia elements like text, graphics and natural images. The objective is to minimize the loss of visual quality of text during compression by separating text information which needs high special resolution than the pictures and background. It segments computer screen images into text/graphics and picture/background classes based on DCT energy in each 4x4 block, and then compresses both text/graphics pixels and picture/background blocks by H.264/AVC with variable quantization parameter. Experimental results show that the single H.264/AVC-INTRA coder with variable quantization outperforms single coders such as JPEG, JPEG-2000 for compound images. Also the proposed method improves the PSNR value significantly than standard JPEG, JPEG-2000 and while keeping competitive compression ratios.

  18. Gold-Catalyzed Cyclizations of Alkynol-Based Compounds: Synthesis of Natural Products and Derivatives

    Directory of Open Access Journals (Sweden)

    Pedro Almendros

    2011-09-01

    Full Text Available The last decade has witnessed dramatic growth in the number of reactions catalyzed by gold complexes because of their powerful soft Lewis acid nature. In particular, the gold-catalyzed activation of propargylic compounds has progressively emerged in recent years. Some of these gold-catalyzed reactions in alkynes have been optimized and show significant utility in organic synthesis. Thus, apart from significant methodology work, in the meantime gold-catalyzed cyclizations in alkynol derivatives have become an efficient tool in total synthesis. However, there is a lack of specific review articles covering the joined importance of both gold salts and alkynol-based compounds for the synthesis of natural products and derivatives. The aim of this Review is to survey the chemistry of alkynol derivatives under gold-catalyzed cyclization conditions and its utility in total synthesis, concentrating on the advances that have been made in the last decade, and in particular in the last quinquennium.

  19. Leaching characteristics of calcium-based compounds in MSWI Residues: From the viewpoint of clogging risk

    International Nuclear Information System (INIS)

    Xia, Yi; Zhang, Hua; Phoungthong, Khamphe; Shi, Dong-Xiao; Shen, Wen-Hui; Shao, Li-Ming; He, Pin-Jing

    2015-01-01

    Highlights: • The leaching behavior of Ca-based compounds commonly in MSWI residues was studied. • pH is the crucial factor for calcium leaching process. • CaCO 3 was the most sensitive to leaching temperature and Ca 3 (PO 4 ) 2 was the least. • Ca leaching of MSWIBA and SAPCR attributed to CaCO 3 and Ca 3 (PO 4 ) 2 respectively. • Potential clogging ability of MSWI residues leachate in open air was calculated. - Abstract: Leachate collection system (LCS) clogging caused by calcium precipitation would be disadvantageous to landfill stability and operation. Meanwhile, calcium-based compounds are the main constituents in both municipal solid waste incineration bottom ash (MSWIBA) and stabilized air pollution control residues (SAPCR), which would increase the risk of LCS clogging once these calcium-rich residues were disposed in landfills. The leaching behaviors of calcium from the four compounds and municipal solid waste incineration (MSWI) residues were studied, and the influencing factors on leaching were discussed. The results showed that pH was the crucial factor in the calcium leaching process. CaCO 3 and CaSiO 3 began leaching when the leachate pH decreased to less than 7 and 10, respectively, while Ca 3 (PO 4 ) 2 leached at pH < 12. CaSO 4 could hardly dissolve in the experimental conditions. Moreover, the sequence of the leaching rate for the different calcium-based compounds is as follows: CaSiO 3 > Ca 3 (PO 4 ) 2 > CaCO 3 . The calcium leaching from the MSWIBA and SAPCR separately started from pH < 7 and pH < 12, resulting from CaCO 3 and Ca 3 (PO 4 ) 2 leaching respectively, which was proven by the X-ray diffraction results. Based on the leaching characteristics of the different calcium compounds and the mineral phase of calcium in the incineration residues, simulated computation of their clogging potential was conducted, providing the theoretical basis for the risk assessment pertaining to LCS clogging in landfills

  20. Leaching characteristics of calcium-based compounds in MSWI Residues: From the viewpoint of clogging risk

    Energy Technology Data Exchange (ETDEWEB)

    Xia, Yi [State Key Laboratory of Pollution Control & Resource Reuse, Tongji University, Shanghai 200092 (China); Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Zhang, Hua, E-mail: zhanghua_tj@tongji.edu.cn [State Key Laboratory of Pollution Control & Resource Reuse, Tongji University, Shanghai 200092 (China); Phoungthong, Khamphe [State Key Laboratory of Pollution Control & Resource Reuse, Tongji University, Shanghai 200092 (China); Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Shi, Dong-Xiao; Shen, Wen-Hui [Changzhou Domestic Waste Treatment Center, Changzhou 213000 (China); Shao, Li-Ming [Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Center for the Technology Research and Training on Household Waste in Small Towns & Rural Area, Ministry of Housing and Urban–Rural Development of PR China (MOHURD), Shanghai 200092 (China); He, Pin-Jing, E-mail: solidwaste@tongji.edu.cn [Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Center for the Technology Research and Training on Household Waste in Small Towns & Rural Area, Ministry of Housing and Urban–Rural Development of PR China (MOHURD), Shanghai 200092 (China)

    2015-08-15

    Highlights: • The leaching behavior of Ca-based compounds commonly in MSWI residues was studied. • pH is the crucial factor for calcium leaching process. • CaCO{sub 3} was the most sensitive to leaching temperature and Ca{sub 3}(PO{sub 4}){sub 2} was the least. • Ca leaching of MSWIBA and SAPCR attributed to CaCO{sub 3} and Ca{sub 3}(PO{sub 4}){sub 2} respectively. • Potential clogging ability of MSWI residues leachate in open air was calculated. - Abstract: Leachate collection system (LCS) clogging caused by calcium precipitation would be disadvantageous to landfill stability and operation. Meanwhile, calcium-based compounds are the main constituents in both municipal solid waste incineration bottom ash (MSWIBA) and stabilized air pollution control residues (SAPCR), which would increase the risk of LCS clogging once these calcium-rich residues were disposed in landfills. The leaching behaviors of calcium from the four compounds and municipal solid waste incineration (MSWI) residues were studied, and the influencing factors on leaching were discussed. The results showed that pH was the crucial factor in the calcium leaching process. CaCO{sub 3} and CaSiO{sub 3} began leaching when the leachate pH decreased to less than 7 and 10, respectively, while Ca{sub 3}(PO{sub 4}){sub 2} leached at pH < 12. CaSO{sub 4} could hardly dissolve in the experimental conditions. Moreover, the sequence of the leaching rate for the different calcium-based compounds is as follows: CaSiO{sub 3} > Ca{sub 3}(PO{sub 4}){sub 2} > CaCO{sub 3}. The calcium leaching from the MSWIBA and SAPCR separately started from pH < 7 and pH < 12, resulting from CaCO{sub 3} and Ca{sub 3}(PO{sub 4}){sub 2} leaching respectively, which was proven by the X-ray diffraction results. Based on the leaching characteristics of the different calcium compounds and the mineral phase of calcium in the incineration residues, simulated computation of their clogging potential was conducted, providing the

  1. Targeting aquaporin function: potent inhibition of aquaglyceroporin-3 by a gold-based compound.

    Directory of Open Access Journals (Sweden)

    Ana Paula Martins

    Full Text Available Aquaporins (AQPs are membrane channels that conduct water and small solutes such as glycerol and are involved in many physiological functions. Aquaporin-based modulator drugs are predicted to be of broad potential utility in the treatment of several diseases. Until today few AQP inhibitors have been described as suitable candidates for clinical development. Here we report on the potent inhibition of AQP3 channels by gold(III complexes screened on human red blood cells (hRBC and AQP3-transfected PC12 cells by a stopped-flow method. Among the various metal compounds tested, Auphen is the most active on AQP3 (IC(50 = 0.8±0.08 µM in hRBC. Interestingly, the compound poorly affects the water permeability of AQP1. The mechanism of gold inhibition is related to the ability of Au(III to interact with sulphydryls groups of proteins such as the thiolates of cysteine residues. Additional DFT and modeling studies on possible gold compound/AQP adducts provide a tentative description of the system at a molecular level. The mapping of the periplasmic surface of an homology model of human AQP3 evidenced the thiol group of Cys40 as a likely candidate for binding to gold(III complexes. Moreover, the investigation of non-covalent binding of Au complexes by docking approaches revealed their preferential binding to AQP3 with respect to AQP1. The high selectivity and low concentration dependent inhibitory effect of Auphen (in the nanomolar range together with its high water solubility makes the compound a suitable drug lead for future in vivo studies. These results may present novel metal-based scaffolds for AQP drug development.

  2. [Matrix transdermal systems for caffeine delivery based on polymer and emulsion compounds].

    Science.gov (United States)

    Kuznetsova, E G; Kuryleva, O M; Salomatina, L A; Sevast'ianov, V I

    2008-01-01

    The goal of this work was to develop and test transdermal therapeutic systems for caffeine delivery. In vitro experiments showed that the rate of caffeine diffusion through untreated rabbit skin from a transdermal therapeutic systems based on polymer compound containing 50 mg medicine was 67.2 (9.1 microg/cm2h; for a system based on emulsion compound it was 173 (19 microg/cm2h. Methods for studying the caffeine release rate and quantitative measurement of caffeine content in the emulsion-based transdermal therapeutic system were developed. These methods are required to obtain data for standard drug documentation. The results of in vivo experiments in rabbits showed the absence of irritating effect of the emulsion-based transdermal therapeutic system. The obtained data on the specific efficiency of the transdermal therapeutic systems for caffeine delivery (50 mg) in healthy volunteers showed that this medicine could be used as a nonnarcotic psychoactivator for improving mental and physical activities and attention concentration.

  3. Model for fusion and cool compound nucleus formation based on the fragmentation theory

    International Nuclear Information System (INIS)

    Malhotra, N.; Aroumougame, R.; Saroha, D.R.; Gupta, R.K.

    1986-01-01

    Collective potential energy surfaces are calculated in both the adiabatic and sudden approximations by using the asymmetric two-center shell model in the Strutinsky method. It is shown that fusion of two colliding heavy ions occurs by their crossing over of the adiabatic interaction barrier. The adiabatic scattering potentials present two barriers, whereas no barrier is shown to occur in sudden scattering potentials. The first barrier is obtained just past the saddle shape but is too low, such that a deep inelastic process is expected. The other, inner, barrier is high enough to let the system fall into the fusion well, whose excitation energy then determines whether a cool compound nucleus is produced or the fusion-fission process occurs. For a given compound nucleus, the excitation energy is found to be small for only a few target-projectile combinations, which increase as their mass asymmetry increases. Such target-projectile combinations which refer to a cool compound nucleus can be identified by a simple calculation of the fragmentation potential based on the ground state binding energies with Coulomb and proximity effects calculated at a constant relative separation of the two nuclei. Our calculations are made for the composite systems with 102 < or =Z < or =114

  4. Model for fusion and cool compound nucleus formation based on the fragmentation theory

    International Nuclear Information System (INIS)

    Malhotra, N.; Aroumougame, R.; Saroha, D.R.; Gupta, R.K.

    1985-07-01

    The collective potential energy surfaces are calculated in both the adiabatic and sudden approximations by using the asymmetric two centre shell model in Strutinsky method. It is shown that fusion of two colliding heavy ions occur by their crossing over of the adiabatic interaction barrier. The adiabatic scattering potentials present two barriers whereas no barrier is shown to occur in sudden scattering potentials. The first barrier is obtained just past the saddle shape but is too low, such that a deep inelastic process is expected. The other, inner, barrier is high enough to let the system fall into the fusion well, whose excitation energy then determine whether a cool compound nucleus is produced or the fusion-fission process occurs. For a given compound nucleus, the excitation energy is found to be small for only a few target-projectile combinations, which increase as their mass asymmetry increases. Such target-projectile combinations which refer to a cool compound nucleus, can be identified by a simple calculation of the fragmentation potential based on the ground state binding energies with Couloumb and proximity effects calculated at a constant relative separation of the two nuclei. Our calculations are made for the composite systems with 102<=Z<=114. (author)

  5. Screening for Antifibrotic Compounds Using High Throughput System Based on Fluorescence Polarization

    Directory of Open Access Journals (Sweden)

    Branko Stefanovic

    2014-04-01

    Full Text Available Fibroproliferative diseases are one of the leading causes of death worldwide. They are characterized by reactive fibrosis caused by uncontrolled synthesis of type I collagen. There is no cure for fibrosis and development of therapeutics that can inhibit collagen synthesis is urgently needed. Collagen α1(I mRNA and α2(I mRNA encode for type I collagen and they have a unique 5' stem-loop structure in their 5' untranslated regions (5'SL. Collagen 5'SL binds protein LARP6 with high affinity and specificity. The interaction between LARP6 and the 5'SL is critical for biosynthesis of type I collagen and development of fibrosis in vivo. Therefore, this interaction represents is an ideal target to develop antifibrotic drugs. A high throughput system to screen for chemical compounds that can dissociate LARP6 from 5'SL has been developed. It is based on fluorescence polarization and can be adapted to screen for inhibitors of other protein-RNA interactions. Screening of 50,000 chemical compounds yielded a lead compound that can inhibit type I collagen synthesis at nanomolar concentrations. The development, characteristics, and critical appraisal of this assay are presented.

  6. Adsorption of volatile organic compounds by pecan shell- and almond shell-based granular activated carbons.

    Science.gov (United States)

    Bansode, R R; Losso, J N; Marshall, W E; Rao, R M; Portier, R J

    2003-11-01

    The objective of this research was to determine the effectiveness of using pecan and almond shell-based granular activated carbons (GACs) in the adsorption of volatile organic compounds (VOCs) of health concern and known toxic compounds (such as bromo-dichloromethane, benzene, carbon tetrachloride, 1,1,1-trichloromethane, chloroform, and 1,1-dichloromethane) compared to the adsorption efficiency of commercially used carbons (such as Filtrasorb 200, Calgon GRC-20, and Waterlinks 206C AW) in simulated test medium. The pecan shell-based GACs were activated using steam, carbon dioxide or phosphoric acid. An almond shell-based GAC was activated with phosphoric acid. Our results indicated that steam- or carbon dioxide-activated pecan shell carbons were superior in total VOC adsorption to phosphoric acid-activated pecan shell or almond shell carbons, inferring that the method of activation selected for the preparation of activated carbons affected the adsorption of VOCs and hence are factors to be considered in any adsorption process. The steam-activated, pecan shell carbon adsorbed more total VOCs than the other experimental carbons and had an adsorption profile similar to the two coconut shell-based commercial carbons, but had greater adsorption than the coal-based commercial carbon. All the carbons studied adsorbed benzene more effectively than the other organics. Pecan shell, steam-activated and acid-activated GACs showed higher adsorption of 1,1,1-trichloroethane than the other carbons studied. Multivariate analysis was conducted to group experimental carbons and commercial carbons based on their physical, chemical, and adsorptive properties. The results of the analysis conclude that steam-activated and acid-activated pecan shell carbons clustered together with coal-based and coconut shell-based commercial carbons, thus inferring that these experimental carbons could potentially be used as alternative sources for VOC adsorption in an aqueous environment.

  7. Study of the relationship between chemical structure and antimicrobial activity in a series of hydrazine-based coordination compounds.

    Science.gov (United States)

    Dobrova, B N; Dimoglo, A S; Chumakov, Y M

    2000-08-01

    The dependence of antimicrobial activity on the structure of compounds is studied in a series of compounds based on hydrazine coordinated with ions of Cu(II), Ni(II) and Pd(II). The study has been carried out by means of the original electron-topological method developed earlier. A molecular fragment has been found that is only characteristic of biologically active compounds. Its spatial and electron parameters have been used for the quantitative assessment of the activity in view. The results obtained can be used for the antimicrobial activity prediction in a series of compounds with similar structures.

  8. Studies on in vitro biostability and blood compatibility of polyurethane potting compound based on aromatic polymeric MDI for extracorporeal devices.

    Science.gov (United States)

    Hridya, V K; Jayabalan, M

    2009-12-01

    Polyurethane potting compound based on aromatic isocyanurate of polymeric MDI, poly propylene glycol (PPG400) and trimethylol propane (TMP) has significant favourable properties, good pot life and setting characteristics. The cured potting compound of this formulation has appreciable thermal stability and mechanical properties. In vitro biostability of cured potting compound has been found to be excellent without any significant degradation in simulated physiological media and chemical environment. Studies on blood-material interaction and cytotoxicity reveal in vitro blood compatibility and compatibility with cells of this potting compound.

  9. Assessment of chloroethene degradation rates based on ratios of daughter/parent compounds in groundwater plumes

    Science.gov (United States)

    Höhener, Patrick

    2014-05-01

    Chlorinated solvent spills at industrial and urban sites create groundwater plumes where tetrachloro- and trichloroethene may degrade to their daughter compounds, dichloroethenes, vinyl chloride and ethane. The assessment of degradation and natural attenuation at such sites may be based on the analysis and inverse modelling of concentration data, on the calculation of mass fluxes in transsects, and/or on the analysis of stable isotope ratios in the ethenes. Relatively few work has investigated the possibility of using ratio of concentrations for gaining information on degradation rates. The use of ratios bears the advantage that dilution of a single sample with contaminant-free water does not matter. It will be shown that molar ratios of daughter to parent compounds measured along a plume streamline are a rapid and robust mean of determining whether degradation rates increase or decrease along the degradation chain, and allow furthermore a quantitation of the relative magnitude of degradation rates compared to the rate of the parent compound. Furthermore, ratios of concentration will become constant in zones where degradation is absent, and this allows to sketching the extension of actively degrading zones. The assessment is possible for pure sources and also for mixed sources. A quantification method is proposed in order to estimate first-order degradation rates in zones of constant degradation activity. This quantification method includes corrections that are needed due to longitudinal and transversal dispersivity. The method was tested on a number of real field sites from literature. At the majority of these sites, the first-order degradation rates were decreasing along the degradation chain from tetrachloroethene to vinyl chloride, meaning that the latter was often reaching important concentrations. This is bad news for site owners due to the increased toxicity of vinyl chloride compared to its parent compounds.

  10. A network-based multi-target computational estimation scheme for anticoagulant activities of compounds.

    Directory of Open Access Journals (Sweden)

    Qian Li

    Full Text Available BACKGROUND: Traditional virtual screening method pays more attention on predicted binding affinity between drug molecule and target related to a certain disease instead of phenotypic data of drug molecule against disease system, as is often less effective on discovery of the drug which is used to treat many types of complex diseases. Virtual screening against a complex disease by general network estimation has become feasible with the development of network biology and system biology. More effective methods of computational estimation for the whole efficacy of a compound in a complex disease system are needed, given the distinct weightiness of the different target in a biological process and the standpoint that partial inhibition of several targets can be more efficient than the complete inhibition of a single target. METHODOLOGY: We developed a novel approach by integrating the affinity predictions from multi-target docking studies with biological network efficiency analysis to estimate the anticoagulant activities of compounds. From results of network efficiency calculation for human clotting cascade, factor Xa and thrombin were identified as the two most fragile enzymes, while the catalytic reaction mediated by complex IXa:VIIIa and the formation of the complex VIIIa:IXa were recognized as the two most fragile biological matter in the human clotting cascade system. Furthermore, the method which combined network efficiency with molecular docking scores was applied to estimate the anticoagulant activities of a serial of argatroban intermediates and eight natural products respectively. The better correlation (r = 0.671 between the experimental data and the decrease of the network deficiency suggests that the approach could be a promising computational systems biology tool to aid identification of anticoagulant activities of compounds in drug discovery. CONCLUSIONS: This article proposes a network-based multi-target computational estimation

  11. A network-based multi-target computational estimation scheme for anticoagulant activities of compounds.

    Science.gov (United States)

    Li, Qian; Li, Xudong; Li, Canghai; Chen, Lirong; Song, Jun; Tang, Yalin; Xu, Xiaojie

    2011-03-22

    Traditional virtual screening method pays more attention on predicted binding affinity between drug molecule and target related to a certain disease instead of phenotypic data of drug molecule against disease system, as is often less effective on discovery of the drug which is used to treat many types of complex diseases. Virtual screening against a complex disease by general network estimation has become feasible with the development of network biology and system biology. More effective methods of computational estimation for the whole efficacy of a compound in a complex disease system are needed, given the distinct weightiness of the different target in a biological process and the standpoint that partial inhibition of several targets can be more efficient than the complete inhibition of a single target. We developed a novel approach by integrating the affinity predictions from multi-target docking studies with biological network efficiency analysis to estimate the anticoagulant activities of compounds. From results of network efficiency calculation for human clotting cascade, factor Xa and thrombin were identified as the two most fragile enzymes, while the catalytic reaction mediated by complex IXa:VIIIa and the formation of the complex VIIIa:IXa were recognized as the two most fragile biological matter in the human clotting cascade system. Furthermore, the method which combined network efficiency with molecular docking scores was applied to estimate the anticoagulant activities of a serial of argatroban intermediates and eight natural products respectively. The better correlation (r = 0.671) between the experimental data and the decrease of the network deficiency suggests that the approach could be a promising computational systems biology tool to aid identification of anticoagulant activities of compounds in drug discovery. This article proposes a network-based multi-target computational estimation method for anticoagulant activities of compounds by

  12. Bond-based linear indices in QSAR: computational discovery of novel anti-trichomonal compounds

    Science.gov (United States)

    Marrero-Ponce, Yovani; Meneses-Marcel, Alfredo; Rivera-Borroto, Oscar M.; García-Domenech, Ramón; De Julián-Ortiz, Jesus Vicente; Montero, Alina; Escario, José Antonio; Barrio, Alicia Gómez; Pereira, David Montero; Nogal, Juan José; Grau, Ricardo; Torrens, Francisco; Vogel, Christian; Arán, Vicente J.

    2008-08-01

    Trichomonas vaginalis ( Tv) is the causative agent of the most common, non-viral, sexually transmitted disease in women and men worldwide. Since 1959, metronidazole (MTZ) has been the drug of choice in the systemic treatment of trichomoniasis. However, resistance to MTZ in some patients and the great cost associated with the development of new trichomonacidals make necessary the development of computational methods that shorten the drug discovery pipeline. Toward this end, bond-based linear indices, new TOMOCOMD-CARDD molecular descriptors, and linear discriminant analysis were used to discover novel trichomonacidal chemicals. The obtained models, using non-stochastic and stochastic indices, are able to classify correctly 89.01% (87.50%) and 82.42% (84.38%) of the chemicals in the training (test) sets, respectively. These results validate the models for their use in the ligand-based virtual screening. In addition, they show large Matthews' correlation coefficients ( C) of 0.78 (0.71) and 0.65 (0.65) for the training (test) sets, correspondingly. The result of predictions on the 10% full-out cross-validation test also evidences the robustness of the obtained models. Later, both models are applied to the virtual screening of 12 compounds already proved against Tv. As a result, they correctly classify 10 out of 12 (83.33%) and 9 out of 12 (75.00%) of the chemicals, respectively; which is the most important criterion for validating the models. Besides, these classification functions are applied to a library of seven chemicals in order to find novel antitrichomonal agents. These compounds are synthesized and tested for in vitro activity against Tv. As a result, experimental observations approached to theoretical predictions, since it was obtained a correct classification of 85.71% (6 out of 7) of the chemicals. Moreover, out of the seven compounds that are screened, synthesized and biologically assayed, six compounds (VA7-34, VA7-35, VA7-37, VA7-38, VA7-68, VA7-70) show

  13. TOURISM PROMOTION FOR UNKNOWN AREAS IN ROMANIA

    Directory of Open Access Journals (Sweden)

    Fotache Lacramioara

    2013-12-01

    Full Text Available The paper is an effort to unknown areas identity affirmation, through collaborative development of advertising mix, with an emphasis on virtual platforms as admissible solution for increasing visibility. Based upon comparative effective analysis of categories of communication particularities, it is suggested a positioning strategic solution, via virtual advertising platform as unique, integrated, complex and very attractive tourism product promotion, fitted for the internal and international tourism circuit. The active promotion of the specified territorial identity will launch a brand with an impact among tourists by using marketing techniques and innovating technical means and prioritizing tourism as a principal vector of local and regional development.

  14. Polymer Optical Fiber Compound Parabolic Concentrator fiber tip based glucose sensor: In-Vitro Testing

    DEFF Research Database (Denmark)

    Hassan, Hafeez Ul; Janting, Jakob; Aasmul, Soren

    2016-01-01

    We present in-vitro sensing of glucose using a newly developed efficient optical fiber glucose sensor based on a Compound Parabolic Concentrator (CPC) tipped polymer optical fiber (POF). A batch of 9 CPC tipped POF sensors with a 35 mm fiber length is shown to have an enhanced fluorescence pickup...... efficiency with an average increment factor of 1.7 as compared to standard POF sensors with a plane cut fiber tip. Invitro measurements for two glucose concentrations (40 and 400 mg/dL) confirm that the CPC tipped sensors efficiently can detect both glucose concentrations. it sets the footnote at the bottom...

  15. Compound parabolic concentrator optical fiber tip for FRET-based fluorescent sensors

    DEFF Research Database (Denmark)

    Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Soren

    2015-01-01

    The Compound Parabolic Concentrator (CPC) optical fiber tip shape has been proposed for intensity based fluorescent sensors working on the principle of FRET (Förster Resonance Energy Transfer). A simple numerical Zemax model has been used to optimize the CPC tip geometry for a step-index multimode...... polymer optical fiber for an excitation and emission wavelength of 550 nm and 650nm, respectively. The model suggests an increase of a factor of 1.6 to 4 in the collected fluorescent power for an ideal CPC tip, as compared to the plane-cut fiber tip for fiber lengths between 5 and 45mm...

  16. A Solution-Based Temperature Sensor Using the Organic Compound CuTsPc

    Directory of Open Access Journals (Sweden)

    Shahino Mah Abdullah

    2014-06-01

    Full Text Available An electrochemical cell using an organic compound, copper (II phthalocyanine-tetrasulfonic acid tetrasodium salt (CuTsPc, has been fabricated and investigated as a solution-based temperature sensor. The capacitance and resistance of the ITO/CuTsPc solution/ITO chemical cell has been characterized as a function of temperature in the temperature range of 25–80 °C. A linear response with minimal hysteresis is observed. The fabricated temperature sensor has shown high consistency and sensitive response towards a specific range of temperature values.

  17. Stability and electronic structure of Zr-based ternary metallic glasses and relevant compounds

    International Nuclear Information System (INIS)

    Hasegawa, M.; Soda, K.; Sato, H.; Suzuki, T.; Taketomi, T.; Takeuchi, T.; Kato, H.; Mizutani, U.

    2007-01-01

    The electronic structure of the Zr-based metallic glasses has been investigated by theoretical and experimental approaches. One approach is band calculations of the Zr 2 Ni (Zr 66.7 Ni 33.3 ) compound to investigate the electronic structure of the Zr 66.7 Ni 33.3 metallic glass (ΔT x = 0 K) of which the local atomic structure is similar to that of the Zr 2 Ni compound. The other is photoemission spectroscopy of the Zr 50 Cu 35 Al 15 bulk metallic glass (BMG) (ΔT x = 69 K). Here ΔT x = T x - T g where T x and T g are crystallization and glass transition temperature, respectively. Both results and previous ones on the Zr 55 Cu 30 Ni 5 Al 10 BMG indicate that there is a pseudogap at the Fermi level in the electronic structure of these Zr-based metallic glasses, independent of the value of the ΔT x . This implies that the pseudogap at the Fermi level is one of the factors that stabilize the glass phase of Zr-based metallic glasses

  18. Efficient fluorescent deep-blue and hybrid white emitting devices based on carbazole/benzimidazole compound

    KAUST Repository

    Yang, Xiaohui

    2011-07-28

    We report the synthesis, photophysics, and electrochemical characterization of carbazole/benzimidazole-based compound (Cz-2pbb) and efficient fluorescent deep-blue light emitting devices based on Cz-2pbb with the peak external quantum efficiency of 4.1% and Commission Internationale dÉnclairage coordinates of (0.16, 0.05). Efficient deep-blue emission as well as high triplet state energy of Cz-2pbb enables fabrication of hybrid white organic light emitting diodes with a single emissive layer. Hybrid white emitting devices based on Cz-2pbb show the peak external quantum efficiency exceeding 10% and power efficiency of 14.8 lm/W at a luminance of 500 cd/m2. © 2011 American Chemical Society.

  19. High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Daniel A. Mosher; Xia Tang; Ronald J. Brown; Sarah Arsenault; Salvatore Saitta; Bruce L. Laube; Robert H. Dold; Donald L. Anton

    2007-07-27

    This final report describes the motivations, activities and results of the hydrogen storage independent project "High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides" performed by the United Technologies Research Center under the Department of Energy Hydrogen Program, contract # DE-FC36-02AL67610. The objectives of the project were to identify and address the key systems technologies associated with applying complex hydride materials, particularly ones which differ from those for conventional metal hydride based storage. This involved the design, fabrication and testing of two prototype systems based on the hydrogen storage material NaAlH4. Safety testing, catalysis studies, heat exchanger optimization, reaction kinetics modeling, thermochemical finite element analysis, powder densification development and material neutralization were elements included in the effort.

  20. Accelerating Multiple Compound Comparison Using LINGO-Based Load-Balancing Strategies on Multi-GPUs

    OpenAIRE

    Lin, Chun-Yuan; Wang, Chung-Hung; Hung, Che-Lun; Lin, Yu-Shiang

    2015-01-01

    Compound comparison is an important task for the computational chemistry. By the comparison results, potential inhibitors can be found and then used for the pharmacy experiments. The time complexity of a pairwise compound comparison is O(n 2), where n is the maximal length of compounds. In general, the length of compounds is tens to hundreds, and the computation time is small. However, more and more compounds have been synthesized and extracted now, even more than tens of millions. Therefore,...

  1. A Concentrator Photovoltaic System Based on a Combination of Prism-Compound Parabolic Concentrators

    Directory of Open Access Journals (Sweden)

    Ngoc Hai Vu

    2016-08-01

    Full Text Available We present a cost-effective concentrating photovoltaic system composed of a prism and a compound parabolic concentrator (P-CPC. In this approach, the primary collector consists of a prism, a solid compound parabolic concentrator (CPC, and a slab waveguide. The prism, which is placed on the input aperture of CPC, directs the incoming sunlight beam to be parallel with the main axes of parabolic rims of CPC. Then, the sunlight is reflected at the parabolic rims and concentrated at the focal point of these parabolas. A slab waveguide is coupled at the output aperture of the CPC to collect focused sunlight beams and to guide them to the solar cell. The optical system was modeled and simulated with commercial ray tracing software (LightTools™. Simulation results show that the optical efficiency of a P-CPC can achieve up to 89%. when the concentration ratio of the P-CPC is fixed at 50. We also determine an optimal geometric structure of P-CPC based on simulation. Because of the simplicity of the P-CPC structure, a lower-cost mass production process is possible. A simulation based on optimal structure of P-CPC was performed and the results also shown that P-CPC has high angular tolerance for input sunlight. The high tolerance of the input angle of sunlight allows P-CPC solar concentrator utilize a single sun tracking system instead of a highly precise dual suntracking system as cost effective solution.

  2. Two 8-Hydroxyquinolinate Based Supramolecular Coordination Compounds: Synthesis, Structures and Spectral Properties

    Directory of Open Access Journals (Sweden)

    Chengfeng Zhu

    2017-03-01

    Full Text Available Two new Cr(III complexes based on 2-substituted 8-hydroxyquinoline ligands, namely [Cr(L13] (1, (HL1=(E-2-[2-(4-nitro-phenyl-vinyl]-8-hydroxy-quinoline and [Cr(L23] (2, (HL2=(E-2-[2-(4-chloro-phenylvinyl]-8-hydroxy-quinoline, were prepared by a facile hydrothermal method and characterized thoroughly by single crystal X-ray diffraction, powder X-ray diffraction, FTIR, TGA, ESI-MS, UV-Visible absorption spectra and fluorescence emission spectra. Single crystal X-ray diffraction analyses showed that the two compounds featured 3D supramolecular architectures constructed from noncovalent interactions, such as π···π stacking, C-H···π, C-H···O, C-Cl···π, C-H···Cl interactions. The thermogravimetric analysis and ESI-MS study of compounds 1 and 2 suggested that the Cr(III complexes possessed good stability both in solid and solution. In addition, the ultraviolet and fluorescence response of the HL1 and HL2 shown marked changes upon their complexation with Cr(III ion, which indicated that the two 8-hydroxyquinolinate based ligand are promising heavy metal chelating agent for Cr3+.

  3. A review of plant-based compounds and medicinal plants effective on atherosclerosis

    Directory of Open Access Journals (Sweden)

    Mehrnoosh Sedighi

    2017-01-01

    Full Text Available Atherosclerosis is one of the most important cardiovascular diseases that involve vessels through the development of fatty streaks and plaques. Plant-based compounds can help treat or prevent atherosclerosis through affecting the involved factors. The main purpose of this review article is to investigate and introduce medicinal plants and their potential activities regarding antioxidant properties, effective on lipids level and development of plaque, atherosclerosis, and progression of atherosclerosis as well as the development of cardiovascular disease and ischemia. To search for the relevant articles indexed in Information Sciences Institute, PubMed, Scientific Information Database, IranMedex, and Scopus between 1980 and 2013, with further emphasis on those indexed from 2004 to 2015, we used these search terms: atherosclerosis, antioxidant, cholesterol, inflammation, and the medicinal plants below. Then, the articles with inclusion criteria were used in the final analysis of the findings. Plant-based active compounds, including phenols, flavonoids, and antioxidants, can be effective on atherosclerosis predisposing factors and hence in preventing this disease and associated harmful complications, especially through reducing cholesterol, preventing increase in free radicals, and ultimately decreasing vascular plaque and vascular resistance. Hence, medicinal plants can contribute to treating atherosclerosis and preventing its progression through reducing cholesterolemia, free radicals, inflammation, vascular resistance, and certain enzymes. They, alone or in combination with hypocholesterolemic drugs, can therefore be useful for patients with hyperlipidemia and its complications.

  4. A novel tyrosinase biosensor based on hydroxyapatite-chitosan nanocomposite for the detection of phenolic compounds

    International Nuclear Information System (INIS)

    Lu Limin; Zhang Li; Zhang Xiaobing; Huan Shuangyan; Shen Guoli; Yu Ruqin

    2010-01-01

    A novel tyrosinase biosensor based on hydroxyapatite nanoparticles (nano-HA)-chitosan nanocomposite has been developed for the detection of phenolic compounds. The uniform and size controlled nano-HA was synthesized by hydrothermal method, and its morphological characterization was examined by transmission electron microscope (TEM). Tyrosinase was then immobilized on a nano-HA-chitosan nanocomposite-modified gold electrode. Electrochemical impedance spectroscopy and cyclic voltammetry were used to characterize the sensing film. The prepared biosensor was applied to determine phenolic compounds by monitoring the reduction signal of the biocatalytically produced quinone species at -0.2 V (vs. saturated calomel electrode). The effects of the pH, temperature and applied potential on the biosensor performance were investigated, and experimental conditions were optimized. The biosensor exhibited a linear response to catechol over a wide concentration range from 10 nM to 7 μM, with a high sensitivity of 2.11 x 10 3 μA mM -1 cm -2 , and a limit of detection down to 5 nM (based on S/N = 3). The apparent Michaelis-Menten constants of the enzyme electrode were estimated to be 3.16, 1.31 and 3.52 μM for catechol, phenol and m-cresol, respectively. Moreover, the stability and reproducibility of this biosensor were evaluated with satisfactory results.

  5. Anisotropy of the Seebeck and Nernst coefficients in parent compounds of the iron-based superconductors

    Science.gov (United States)

    Matusiak, Marcin; Babij, Michał; Wolf, Thomas

    2018-03-01

    In-plane longitudinal and transverse thermoelectric phenomena in two parent compounds of iron-based superconductors are studied. Namely, the Seebeck (S ) and Nernst (ν) coefficients were measured in the temperature range 10-300 K for BaF e2A s2 and CaF e2A s2 single crystals that were detwinned in situ. The thermoelectric response shows sizable anisotropy in the spin density wave (SDW) state for both compounds, while some dissimilarities in the vicinity of the SDW transition can be attributed to the different nature of the phase change in BaF e2A s2 and CaF e2A s2 . Temperature dependences of S and ν can be described within a two-band model that contains a contribution from highly mobile, probably Dirac, electrons. The Dirac band seems to be rather isotropic, whereas most of the anisotropy in the transport phenomena could be attributed to "regular" holelike charge carriers. We also observe that the off-diagonal element of the Peltier tensor αx y is not the same for the a and b orthorhombic axes, which indicates that the widely used Mott formula is not applicable to the SDW state of iron-based superconductors.

  6. Research of Compound Control for DC Motor System Based on Global Sliding Mode Disturbance Observer

    Directory of Open Access Journals (Sweden)

    He Zhang

    2014-01-01

    Full Text Available Aiming at the problems of modeling errors, parameter variations, and load moment disturbances in DC motor control system, one global sliding mode disturbance observer (GSMDO is proposed based on the global sliding mode (GSM control theory. The output of GSMDO is used as the disturbance compensation in control system, which can improve the robust performance of DC motor control system. Based on the designed GSMDO in inner loop, one compound controller, composed of a feedback controller and a feedforward controller, is proposed in order to realize the position tracking of DC motor system. The gains of feedback controller are obtained by means of linear quadratic regulator (LQR optimal control theory. Simulation results present that the proposed control scheme possesses better tracking properties and stronger robustness against modeling errors, parameter variations, and friction moment disturbances. Moreover, its structure is simple; therefore it is easy to be implemented in engineering.

  7. 'Poorly defined': unknown unknowns in New Zealand Rural Health.

    Science.gov (United States)

    Fearnley, David; Lawrenson, Ross; Nixon, Garry

    2016-08-05

    There is a considerable mismatch between the population that accesses rural healthcare in New Zealand and the population defined as 'rural' using the current statistics New Zealand rural and urban categorisations. Statistics New Zealand definitions (based on population size or density) do not accurately identify the population of New Zealanders who actually access rural health services. In fact, around 40% of people who access rural health services are classified as 'urban' under the Statistics New Zealand definition, while a further 20% of people who are currently classified as 'rural' actually have ready access to urban health services. Although there is some recognition that current definitions are suboptimal, the extent of the uncertainty arising from these definitions is not widely appreciated. This mismatch is sufficient to potentially undermine the validity of both nationally-collated statistics and also any research undertaken using Statistics New Zealand data. Under these circumstances it is not surprising that the differences between rural and urban health care found in other countries with similar health services have been difficult to demonstrate in New Zealand. This article explains the extent of this mismatch and suggests how definitions of rural might be improved to allow a better understanding of New Zealand rural health.

  8. Microstructures and thermoelectric properties of GeSbTe based layered compounds

    Energy Technology Data Exchange (ETDEWEB)

    Yan, F.; Zhu, T.J.; Zhao, X.B. [Zhejiang University, State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Hangzhou (China); Dong, S.R. [Zhejiang University, Department of Information and Electronics Engineering, Hangzhou (China)

    2007-08-15

    Microstructures and thermoelectric properties of Ge{sub 1}Sb{sub 2}Te{sub 4} and Ge{sub 2}Sb{sub 2}Te{sub 5} chalcogenide semiconductors have been investigated to explore the possibility of their thermoelectric applications. The phase transformation from the face-centered cubic to hexagonal structure was observed in Ge{sub 2}Sb{sub 2}Te{sub 5} compounds prepared by the melt spinning technique. The Seebeck coefficient and electrical resistivity of the alloys were increased due to the enhanced scattering of charge carriers at grain boundaries. The maximum power factors of the rapidly solidified Ge{sub 1}Sb{sub 2}Te{sub 4} and Ge{sub 2}Sb{sub 2}Te{sub 5} attained 0.975 x 10{sup -3} Wm{sup -1}K{sup -2} at 750 K and 0.767 x 10{sup -3} Wm{sup -1}K{sup -2} at 643 K respectively, higher than those of water quenched counterparts, implying that thermoelectric properties of GeSbTe based layered compounds can be improved by grain refinement. The present results show this class of chalcogenide semiconductors is promising for thermoelectric applications. (orig.)

  9. Template-based combinatorial enumeration of virtual compound libraries for lipids.

    Science.gov (United States)

    Sud, Manish; Fahy, Eoin; Subramaniam, Shankar

    2012-09-25

    A variety of software packages are available for the combinatorial enumeration of virtual libraries for small molecules, starting from specifications of core scaffolds with attachments points and lists of R-groups as SMILES or SD files. Although SD files include atomic coordinates for core scaffolds and R-groups, it is not possible to control 2-dimensional (2D) layout of the enumerated structures generated for virtual compound libraries because different packages generate different 2D representations for the same structure. We have developed a software package called LipidMapsTools for the template-based combinatorial enumeration of virtual compound libraries for lipids. Virtual libraries are enumerated for the specified lipid abbreviations using matching lists of pre-defined templates and chain abbreviations, instead of core scaffolds and lists of R-groups provided by the user. 2D structures of the enumerated lipids are drawn in a specific and consistent fashion adhering to the framework for representing lipid structures proposed by the LIPID MAPS consortium. LipidMapsTools is lightweight, relatively fast and contains no external dependencies. It is an open source package and freely available under the terms of the modified BSD license.

  10. Polyoxometalate-based Catalysts for Toxic Compound Decontamination and Solar Energy Conversion

    Science.gov (United States)

    Guo, Weiwei

    Polyoxometalates (POMs) have been attracting interest from researchers in the fields of Inorganic Chemistry, Physical Chemistry, Biomolecular Chemistry, etc. Their unique structures and properties render them versatile and facilitate applications in medicine, magnetism, electrochemistry, photochemistry and catalysis. In particular, toxic compound (chemical warfare agents (CWAs) and toxic industrial compounds (TICs)) decontamination and solar energy conversion by POM-based materials have becoming promising and important research areas that deserve much attention. The focus of this thesis is to explore the structural features of POMs, to develop POM-based materials and to investigate their applications in toxic compound decontamination and solar energy conversion. The first part of this thesis gives a general introduction on the history, structures, properties and applications of POMs. The second part reports the synthesis, structures, and reactivity of different types of POMs in the destruction of TICs and CWAs. Three tetra-n-butylammonium (TBA) salts of polyvanadotungstates, [n-Bu4N]6[ PW9V3], [n-Bu4N] 5H2PW8V4O40 (PW 8V4), [n-Bu4N]4H 5PW6V6O40· 20H2O (PW6V6) are discussed in detail. These vanadium-substituted Keggin type POMs show effective activity for the aerobic oxidation of formaldehyde (a major TIC and human-environment carcingen) to formic acid under ambient conditions. Moreover, two types of POMs have also been developed for the removal of CWAs and/or their simulants. Specifically, a layered manganese(IV)-containing heteropolyvanadate with a 1:14 Stoichiometry, K4Li2[MnV14O40]˙21H2 O has been prepared. Its catalytic activity for oxidative removal of 2-chloroethyl ethyl sulfide (a mustard simulant) is discussed. The second type of POM developed for decontamination of CWAs and their simulants is the new one-dimensional polymeric polyniobate (P-PONb), K12[Ti 2O2][GeNb12O40]˙19H2O (KGeNb). The complex has been applied to the decontamination of a wide range

  11. Striving for the unknown normal

    DEFF Research Database (Denmark)

    Nielsen, Mikka

    During the last decade, more and more people have received prescriptions for ADHD drug treatment, and simultaneously the legitimacy of the ADHD diagnosis has been heavily debated among both professionals and laymen. Based on an anthropological fieldwork among adults with ADHD, I illustrate how...... the ADHD diagnosis both answers and produces existential questions on what counts as normal behaviour and emotions. The diagnosis helps the diagnosed to identify, accept and handle problems by offering concrete explanations and solutions to diffuse experienced problems. But the diagnostic process...... is not only a clarifying procedure with a straight plan for treatment and direct effects. It is also a messy affair. In a process of experimenting with drugs and attempting to determine how or whether the medication eliminates the correct symptoms the diagnosed is put in an introspective, self...

  12. Polymer optical fiber compound parabolic concentrator tip for enhanced coupling efficiency for fluorescence based glucose sensors

    DEFF Research Database (Denmark)

    Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Søren

    2015-01-01

    We demonstrate that the light excitation and capturing efficiency of fluorescence based fiber-optical sensors can be significantly increased by using a CPC (Compound Parabolic Concentrator) tip instead of the standard plane-cut tip. We use Zemax modelling to find the optimum CPC tip profile...... and fiber length of a polymer optical fiber diabetes sensor for continuous monitoring of glucose levels. We experimentally verify the improved performance of the CPC tipped sensor and the predicted production tolerances. Due to physical size requirements when the sensor has to be inserted into the body...... a non-optimal fiber length of 35 mm is chosen. For this length an average improvement in efficiency of a factor of 1.7 is experimentally demonstrated and critically compared to the predicted ideal factor of 3 in terms of parameters that should be improved through production optimization....

  13. Activity Prediction of Schiff Base Compounds using Improved QSAR Models of Cinnamaldehyde Analogues and Derivatives

    Directory of Open Access Journals (Sweden)

    Hui Wang

    2015-10-01

    Full Text Available In past work, QSAR (quantitative structure-activity relationship models of cinnamaldehyde analogues and derivatives (CADs have been used to predict the activities of new chemicals based on their mass concentrations, but these approaches are not without shortcomings. Therefore, molar concentrations were used instead of mass concentrations to determine antifungal activity. New QSAR models of CADs against Aspergillus niger and Penicillium citrinum were established, and the molecular design of new CADs was performed. The antifungal properties of the designed CADs were tested, and the experimental Log AR values were in agreement with the predicted Log AR values. The results indicate that the improved QSAR models are more reliable and can be effectively used for CADs molecular design and prediction of the activity of CADs. These findings provide new insight into the development and utilization of cinnamaldehyde compounds.

  14. Fluorescent deep-blue and hybrid white emitting devices based on a naphthalene-benzofuran compound

    KAUST Repository

    Yang, Xiaohui

    2013-08-01

    We report the synthesis, photophysics and electrochemical properties of naphthalene-benzofuran compound 1 and its application in organic light emitting devices. Fluorescent deep-blue emitting devices employing 1 as the emitting dopant embedded in 4-4′-bis(9-carbazolyl)-2,2′-biphenyl (CBP) host show the peak external quantum efficiency of 4.5% and Commission Internationale d\\'Énclairage (CIE) coordinates of (0.15, 0.07). Hybrid white devices using fluorescent blue emitting layer with 1 and a phosphorescent orange emitting layer based on an iridium-complex show the peak external quantum efficiency above 10% and CIE coordinates of (0.31, 0.37). © 2013 Published by Elsevier B.V.

  15. Tantalum oxide-based compounds as new non-noble cathodes for polymer electrolyte fuel cell

    International Nuclear Information System (INIS)

    Ishihara, Akimitsu; Tamura, Motoko; Matsuzawa, Koichi; Mitsushima, Shigenori; Ota, Ken-ichiro

    2010-01-01

    Tantalum oxide-based compounds were examined as new non-noble cathodes for polymer electrolyte fuel cell. Tantalum carbonitride powder was partially oxidized under a trace amount of oxygen gas at 900 o C for 4 or 8 h. Onset potential for oxygen reduction reaction (ORR) of the specimen heat-treated for 8 h was 0.94 V vs. reversible hydrogen electrode in 0.1 mol dm -3 sulfuric acid at 30 o C. The partial oxidation of tantalum carboniride was effective to enhance the catalytic activity for the ORR. The partially oxidized specimen with highest catalytic activity had ca. 5.25 eV of ionization potential, indicating that there was most suitable strength of the interaction of oxygen and tantalum on the catalyst surface.

  16. Polymer optical fiber compound parabolic concentrator tip for enhanced coupling efficiency for fluorescence based glucose sensors.

    Science.gov (United States)

    Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Soren; Bang, Ole

    2015-12-01

    We demonstrate that the light excitation and capturing efficiency of fluorescence based fiber-optical sensors can be significantly increased by using a CPC (Compound Parabolic Concentrator) tip instead of the standard plane-cut tip. We use Zemax modelling to find the optimum CPC tip profile and fiber length of a polymer optical fiber diabetes sensor for continuous monitoring of glucose levels. We experimentally verify the improved performance of the CPC tipped sensor and the predicted production tolerances. Due to physical size requirements when the sensor has to be inserted into the body a non-optimal fiber length of 35 mm is chosen. For this length an average improvement in efficiency of a factor of 1.7 is experimentally demonstrated and critically compared to the predicted ideal factor of 3 in terms of parameters that should be improved through production optimization.

  17. Stochastic Interest Model Based on Compound Poisson Process and Applications in Actuarial Science

    Directory of Open Access Journals (Sweden)

    Shilong Li

    2017-01-01

    Full Text Available Considering stochastic behavior of interest rates in financial market, we construct a new class of interest models based on compound Poisson process. Different from the references, this paper describes the randomness of interest rates by modeling the force of interest with Poisson random jumps directly. To solve the problem in calculation of accumulated interest force function, one important integral technique is employed. And a conception called the critical value is introduced to investigate the validity condition of this new model. We also discuss actuarial present values of several life annuities under this new interest model. Simulations are done to illustrate the theoretical results and the effect of parameters in interest model on actuarial present values is also analyzed.

  18. A process-based emission model of volatile organic compounds from silage sources on farms

    DEFF Research Database (Denmark)

    Bonifacio, H. F.; Rotz, C. A.; Hafner, S. D.

    2017-01-01

    Silage on dairy farms can emit large amounts of volatile organic compounds (VOCs), a precursor in the formation of tropospheric ozone. Because of the challenges associated with direct measurements, process-based modeling is another approach for estimating emissions of air pollutants from sources...... was evaluated using ethanol and methanol emissions measured from conventional silage piles (CSP), silage bags (SB), total mixed rations (TMR), and loose corn silage (LCS) at a commercial dairy farm in central California. With transport coefficients for ethanol refined using experimental data from our previous......% if feeds were delivered as four feedings per day rather than as one. Reducing the exposed face of storage can also be useful. Simulated use of silage bags resulted in 90% and 18% reductions in emissions from the storage face and whole farm, respectively....

  19. Binding thermodynamics discriminates fragments from druglike compounds: a thermodynamic description of fragment-based drug discovery.

    Science.gov (United States)

    Williams, Glyn; Ferenczy, György G; Ulander, Johan; Keserű, György M

    2017-04-01

    Small is beautiful - reducing the size and complexity of chemical starting points for drug design allows better sampling of chemical space, reveals the most energetically important interactions within protein-binding sites and can lead to improvements in the physicochemical properties of the final drug. The impact of fragment-based drug discovery (FBDD) on recent drug discovery projects and our improved knowledge of the structural and thermodynamic details of ligand binding has prompted us to explore the relationships between ligand-binding thermodynamics and FBDD. Information on binding thermodynamics can give insights into the contributions to protein-ligand interactions and could therefore be used to prioritise compounds with a high degree of specificity in forming key interactions. Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. EuroFIR-BASIS - a combined composition and biological activity database for bioactive compounds in plant-based foods

    DEFF Research Database (Denmark)

    Gry, Jørn; Black, Lucinda; Eriksen, Folmer Damsted

    2007-01-01

    Mounting evidence suggests that certain non-nutrient bioactive compounds promote optimal human health and reduce the risk of chronic disease. An Internet-deployed database, EuroFIR-BASIS, which uniquely combines food composition and biological effects data for plant-based bioactive compounds......, is being developed. The database covers multiple compound classes and 330 major food plants and their edible parts with data sourced from quality-assessed, peer-reviewed literature. The database will be a valuable resource for food regulatory and advisory bodies, risk authorities, epidemiologists...... and researchers interested in diet and health relationships, and product developers within the food industry....

  1. Criteria for extending the operation periods of thermoelectric converters based on IV-VI compounds

    Energy Technology Data Exchange (ETDEWEB)

    Sadia, Yatir, E-mail: yatttir@yahoo.com [Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva (Israel); Ohaion-Raz, Tsion [Department of Chemistry, Ben-Gurion University of the Negev, Beer-Sheva (Israel); Ben-Yehuda, Ohad; Korngold, Meidad; Gelbstein, Yaniv [Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva (Israel)

    2016-09-15

    The recent energy demands affected by the dilution of conventional energy resources and the growing awareness of environmental considerations, had positioned the research of renewable energy conversion methods in general and of thermoelectric direct conversion of thermal into electrical energies in particular, in the forefront of the currently active applicative sciences. IV-VI thermoelectric compounds (e.g. GeTe, PbTe and SnTe) and their alloys comprise some of the most efficient thermoelectric compositions ever reported. Yet a proper utilization of such materials in practical thermoelectric devices, still requires an overcoming the so-called technological “valley of death”, including among others, transport properties' degradation, due to sublimation of volatile Te rich species, while being subjected to elevated temperatures for long periods of time. In an attempt to establish practical operation criteria for extending the operation periods of such thermoelectric converters, it is currently shown based on thermal gravimetric and metallurgical considerations that such harmful sublimation can be practically bridged over by limiting the maximal operating temperatures to the 410–430 °C range for GeTe rich alloys and to 510–530 °C for PbTe and SnTe rich alloys, depending of the thermoelectric leg's diameter. - Graphical abstract: Evaporation rate in the GeTe and PbTe system showing the measured evaporation rates and the maximal operating temperatures for different compositions. In addition, the microstructure after evaporation is shown for PbTe, TAGS-85, and doped Pb{sub 0.13}Ge{sub 087}Te. Display Omitted - Highlights: • Evaporation rates of GeTe and PbTe based thermoelectric compounds were determined. • A criterion for their maximum operating temperature was established. • The materials showed phase separations and off-stoichiometry compositions.

  2. Synthesis, Processing, and Thermoelectric Properties of Germanium-Antimony-Tellurium Based Compounds and Alloys

    Science.gov (United States)

    Williams, Jared Brett

    Society has become increasingly more aware of the negative impacts which nonrenewable energy sources have on the environment, and therefore the search for new and more efficient means of energy production has become an important research endeavor. Thermoelectric modules possess the unique ability to convert wasted heat into useful electrical energy via solid state processes, which could vastly improve the efficiency of a number of applications. The materials which accomplish this are typically comprised of semiconductors which exhibit high electrical conductivity, Seebeck coefficient, and thermal resistivity. Together these properties give us a gauge for the overall efficiency of the thermal to electrical energy conversion. Phase change materials are a class of materials primarily used for optical data storage in CDs, DVDs, and Blu-Ray discs. Today's state of the art phase change materials are based on alloys of GeTe and Sb2Te3. These materials have also been found to exhibit high thermoelectric efficiencies. These high efficiencies stem from their complex crystal structure and degenerate semiconducting nature. The purpose of this work was to study and engineer the thermoelectric properties of various alloys and compounds which belong to this family of materials. Specifically studied were the compounds Ge4SbTe5 and Ge17Sb2Te20. In each case various synthesis and processing strategies were implemented to increase the thermoelectric performance and better understand the fundamental electrical and thermal properties. Finally various proposals for future work on these materials are presented, all of which are based on the findings described herein.

  3. Nanomaterial-Based Sensing and Biosensing of Phenolic Compounds and Related Antioxidant Capacity in Food

    Directory of Open Access Journals (Sweden)

    Flavio Della Pelle

    2018-02-01

    Full Text Available Polyphenolic compounds (PCs have received exceptional attention at the end of the past millennium and as much at the beginning of the new one. Undoubtedly, these compounds in foodstuffs provide added value for their well-known health benefits, for their technological role and also marketing. Many efforts have been made to provide simple, effective and user friendly analytical methods for the determination and antioxidant capacity (AOC evaluation of food polyphenols. In a parallel track, over the last twenty years, nanomaterials (NMs have made their entry in the analytical chemistry domain; NMs have, in fact, opened new paths for the development of analytical methods with the common aim to improve analytical performance and sustainability, becoming new tools in quality assurance of food and beverages. The aim of this review is to provide information on the most recent developments of new NMs-based tools and strategies for total polyphenols (TP determination and AOC evaluation in food. In this review optical, electrochemical and bioelectrochemical approaches have been reviewed. The use of nanoparticles, quantum dots, carbon nanomaterials and hybrid materials for the detection of polyphenols is the main subject of the works reported. However, particular attention has been paid to the success of the application in real samples, in addition to the NMs. In particular, the discussion has been focused on methods/devices presenting, in the opinion of the authors, clear advancement in the fields, in terms of simplicity, rapidity and usability. This review aims to demonstrate how the NM-based approaches represent valid alternatives to classical methods for polyphenols analysis, and are mature to be integrated for the rapid quality assessment of food quality in lab or directly in the field.

  4. Nanomaterial-Based Sensing and Biosensing of Phenolic Compounds and Related Antioxidant Capacity in Food.

    Science.gov (United States)

    Della Pelle, Flavio; Compagnone, Dario

    2018-02-04

    Polyphenolic compounds (PCs) have received exceptional attention at the end of the past millennium and as much at the beginning of the new one. Undoubtedly, these compounds in foodstuffs provide added value for their well-known health benefits, for their technological role and also marketing. Many efforts have been made to provide simple, effective and user friendly analytical methods for the determination and antioxidant capacity (AOC) evaluation of food polyphenols. In a parallel track, over the last twenty years, nanomaterials (NMs) have made their entry in the analytical chemistry domain; NMs have, in fact, opened new paths for the development of analytical methods with the common aim to improve analytical performance and sustainability, becoming new tools in quality assurance of food and beverages. The aim of this review is to provide information on the most recent developments of new NMs-based tools and strategies for total polyphenols (TP) determination and AOC evaluation in food. In this review optical, electrochemical and bioelectrochemical approaches have been reviewed. The use of nanoparticles, quantum dots, carbon nanomaterials and hybrid materials for the detection of polyphenols is the main subject of the works reported. However, particular attention has been paid to the success of the application in real samples, in addition to the NMs. In particular, the discussion has been focused on methods/devices presenting, in the opinion of the authors, clear advancement in the fields, in terms of simplicity, rapidity and usability. This review aims to demonstrate how the NM-based approaches represent valid alternatives to classical methods for polyphenols analysis, and are mature to be integrated for the rapid quality assessment of food quality in lab or directly in the field.

  5. Classification of Unknown Thermocouple Types Using Similarity Factor Measurement

    Directory of Open Access Journals (Sweden)

    Seshu K. DAMARLA

    2011-01-01

    Full Text Available In contrast to classification using PCA method, a new methodology is proposed for type identification of unknown thermocouple. The new methodology is based on calculating the degree of similarity between two multivariate datasets using two types of similarity factors. One similarity factor is based on principle component analysis and the angles between the principle component subspaces while the other is based on the Mahalanobis distance between the datasets. Datasets containing thermo-emfs against given temperature ranges are formed for each type of thermocouple (e.g. J, K, S, T, R, E, B and N type by experimentation are considered as reference datasets. Datasets corresponding to unknown type are captured. Similarity factor between the datasets one of which being the unknown type and the other being each known type are compared. When maximum similarity factor occurs, then the class of unknown type is allocated to that of known type.

  6. Synthesis of new heterocyclic compounds based on pyrazolopyridine scaffold and evaluation of their neuroprotective potential in MPP+-induced neurodegeneration.

    Science.gov (United States)

    Jouha, Jabrane; Loubidi, Mohammed; Bouali, Jamila; Hamri, Salha; Hafid, Abderrafia; Suzenet, Franck; Guillaumet, Gérald; Dagcı, Taner; Khouili, Mostafa; Aydın, Fadime; Saso, Luciano; Armagan, Güliz

    2017-03-31

    Neurodegenerative disorders including Alzheimer's disease, Parkinson's disease, and Huntington's disease affect millions of people in the world. Thus several new approaches to treat brain disorders are under development. The aim of the present study is to synthesize potential neuroprotective heterocyclic compounds based on pyrazolopyridine derivatives and then to evaluate their effects in MPP + -induced neurodegeneration in human neuroblastoma cell line (SH-SY5Y cells). The effects of the compounds on cell viability were measured by MTT assay and the changes in apoptosis-related proteins including bax, Bcl-2, Bcl-xl and caspase-3 were investigated by western blot technique. Based on the cell viability results obtained by MTT assay, the percentage of neuroprotection-induced by compounds against MPP + -induced neurotoxicity in SH-SY5Y cells was between 20% and 30% at 5 μM concentrations of all synthesized compounds. Moreover, the downregulation in pro-apoptotic proteins including bax and caspase-3 were found following the novel synthesized compounds treatments and these effects were observed in a dose-dependent manner. Our results provide an evidence that these heterocyclic compounds based on pyrazolopyridine derivatives may have a role on dopaminergic neuroprotection via antiapoptotic pathways. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  7. In silico tools used for compound selection during target-based drug discovery and development.

    Science.gov (United States)

    Caldwell, Gary W

    2015-01-01

    The target-based drug discovery process, including target selection, screening, hit-to-lead (H2L) and lead optimization stage gates, is the most common approach used in drug development. The full integration of in vitro and/or in vivo data with in silico tools across the entire process would be beneficial to R&D productivity by developing effective selection criteria and drug-design optimization strategies. This review focuses on understanding the impact and extent in the past 5 years of in silico tools on the various stage gates of the target-based drug discovery approach. There are a large number of in silico tools available for establishing selection criteria and drug-design optimization strategies in the target-based approach. However, the inconsistent use of in vitro and/or in vivo data integrated with predictive in silico multiparameter models throughout the process is contributing to R&D productivity issues. In particular, the lack of reliable in silico tools at the H2L stage gate is contributing to the suboptimal selection of viable lead compounds. It is suggested that further development of in silico multiparameter models and organizing biologists, medicinal and computational chemists into one team with a single accountable objective to expand the utilization of in silico tools in all phases of drug discovery would improve R&D productivity.

  8. Robust Fault Detection for Switched Fuzzy Systems With Unknown Input.

    Science.gov (United States)

    Han, Jian; Zhang, Huaguang; Wang, Yingchun; Sun, Xun

    2017-10-03

    This paper investigates the fault detection problem for a class of switched nonlinear systems in the T-S fuzzy framework. The unknown input is considered in the systems. A novel fault detection unknown input observer design method is proposed. Based on the proposed observer, the unknown input can be removed from the fault detection residual. The weighted H∞ performance level is considered to ensure the robustness. In addition, the weighted H₋ performance level is introduced, which can increase the sensibility of the proposed detection method. To verify the proposed scheme, a numerical simulation example and an electromechanical system simulation example are provided at the end of this paper.

  9. Carbon based secondary compounds do not provide protection against heavy metal road pollutants in epiphytic macrolichens.

    Science.gov (United States)

    Gauslaa, Yngvar; Yemets, Olena A; Asplund, Johan; Solhaug, Knut Asbjørn

    2016-01-15

    Lichens are useful monitoring organisms for heavy metal pollution. They are high in carbon based secondary compounds (CBSCs) among which some may chelate heavy metals and thus increase metal accumulation. This study quantifies CBSCs in four epiphytic lichens transplanted for 6months on stands along transects from a highway in southern Norway to search for relationships between concentrations of heavy metals and CBSCs along a gradient in heavy metal pollutants. Viability parameters and concentrations of 21 elements including nutrients and heavy metals in these lichen samples were reported in a separate paper. Medullary CBSCs in fruticose lichens (Ramalina farinacea, Usnea dasypoga) were reduced in the most polluted sites, but not in foliose ones (Parmelia sulcata, Lobaria pulmonaria), whereas cortical CBSC did not change with distance from the road in any species. Strong positive correlations only occurred between the major medullary compound stictic acid present in L. pulmonaria and most heavy metals, consistent with a chelating role of stictic acid, but not of other studied CBSCs or in other species. However, heavy metal chelating did not protect L. pulmonaria against damage because this species experienced the strongest reduction in viability in the polluted sites. CBSCs with an accumulation potential for heavy metals should be quantified in lichen biomonitoring studies of heavy metals because they, like stictic acid, could overshadow pollutant inputs in some species rendering biomonitoring data less useful. In the two fruticose lichen species, CBSCs decreased with increasing heavy metal concentration, probably because heavy metal exposure impaired secondary metabolism. Thus, we found no support for a heavy metal protection role of any CBSCs in studied epiphytic lichens. No intraspecific relationships occurred between CBSCs versus N or C/N-ratio. Interspecifically, medullary CBSCs decreased and cortical CBSCs increased with increasing C/N-ratio. Copyright © 2015

  10. Quartz tuning fork based sensor for detection of volatile organic compounds: towards breath analysis

    Science.gov (United States)

    Sampson, Abraham; Panchal, Suresh; Phadke, Apoorva; Kashyap, A.; Suman, Jilma; Unnikrishnan, G.; Datar, Suwarna

    2018-04-01

    Several volatile organic compounds (VOCs) are present in the exhaled human breath whose concentration can vary depending on the physiological changes occurring within a human being. These changes in the concentration or the occurrence of a particular VOC can be used as signature of a particular disease in a person. In the present work, a sensor has been developed to detect VOCs such as 1,4-dimethoxy-2,3-butanediol (BD), and cyclohexanone (CH), acetone, methanol and ethanol. Except for BD and CH, the rest of the VOCs are present in a healthy person in ppm levels. CH and BD have been reported to be present in the exhaled human breath of breast cancer patients in ppm levels and can be used to distinguish between a healthy person and a person with breast cancer. The selectivity of the sensor towards these two compounds in the presence of other VOCs commonly present in human breath like acetone, ethanol and methanol has been studied. The sensor has been developed using modified Quartz Tuning Forks (QTFs) with the intent of developing an array of such sensors identifying different VOCs present in a healthy human’s breath. Two differently modified QTFs have been used to detect 1 ppm of 1,4-dimethoxy-2,3-butanediol and 20 ppm of cyclohexanone. Linear Discriminants Analysis (LDA) has been used to classify seven different VOCs. For this purpose, features extracted from sensor responses -shift in resonant frequency, response time and recovery time of the sensors- have been used as features in the model. Differently modified array of QTFs along with the use of LDA can be a useful pathway towards development of a QTF based sensor array for human breath analysis.

  11. Hexamethyldisiloxane thin films as sensitive coating for quartz crystal microbalance based volatile organic compounds sensors

    International Nuclear Information System (INIS)

    Boutamine, M.; Bellel, A.; Sahli, S.; Segui, Y.; Raynaud, P.

    2014-01-01

    Hexamethyldisiloxane (HMDSO) thin films coated quartz crystal microbalance (QCM) electrodes have been characterized for the detection of volatile organic compounds (VOCs). The sensitive coatings were plasma polymerized in pure vapor of HMDSO and HMDSO/O 2 mixture. The sensor sensitivity was evaluated by monitoring the frequency shift (∆f) of the coated QCM electrode exposed to different concentrations of VOC vapors, such as ethanol, methanol, benzene and chloroform. The isotherm response characteristics showed good reproducibility and reversibility. For all types of analyte, ∆f were found to be linearly correlated with the concentration of VOC vapor. It was shown that it is possible to tune the chemical affinity of the sensor by changing the oxygen ratio in the deposition gas mixture. Contact angle measurements (CA), attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy, atomic force microscopy (AFM) and scanning electron microscopy (SEM) were used to study surface wettability, chemical composition and surface morphology of the coated QCM electrodes. ATR-FTIR analysis showed the presence of methyl groups around 840 cm −1 due to Si-(CH 3 ) 3 rocking vibration making the elaborated sensor surface hydrophobic. When the coating is performed in HMDSO/O 2 mixture, AFM and SEM images showed an increase in the effective specific surface area of the sensor due to the increase in surface roughness. Surface morphology combined with chemical composition significantly affects the sensitivity of the QCM-based sensor. - Highlights: • Hexamethyldisiloxane layers were evaluated for volatile organic compounds detection. • The kinetic response of the sensor showed good reproducibility and reversibility. • Hydrophobic coating and high specific surface area increase the sensor sensitivity. • Sensor affinity can be controlled by controlling oxygen proportion in the mixture

  12. Effects of Metallic Nanoparticles on Interfacial Intermetallic Compounds in Tin-Based Solders for Microelectronic Packaging

    Science.gov (United States)

    Haseeb, A. S. M. A.; Arafat, M. M.; Tay, S. L.; Leong, Y. M.

    2017-10-01

    Tin (Sn)-based solders have established themselves as the main alternative to the traditional lead (Pb)-based solders in many applications. However, the reliability of the Sn-based solders continues to be a concern. In order to make Sn-based solders microstructurally more stable and hence more reliable, researchers are showing great interest in investigating the effects of the incorporation of different nanoparticles into them. This paper gives an overview of the influence of metallic nanoparticles on the characteristics of interfacial intermetallic compounds (IMCs) in Sn-based solder joints on copper substrates during reflow and thermal aging. Nanocomposite solders were prepared by mechanically blending nanoparticles of nickel (Ni), cobalt (Co), zinc (Zn), molybdenum (Mo), manganese (Mn) and titanium (Ti) with Sn-3.8Ag-0.7Cu and Sn-3.5Ag solder pastes. The composite solders were then reflowed and their wetting characteristics and interfacial microstructural evolution were investigated. Through the paste mixing route, Ni, Co, Zn and Mo nanoparticles alter the morphology and thickness of the IMCs in beneficial ways for the performance of solder joints. The thickness of Cu3Sn IMC is decreased with the addition of Ni, Co and Zn nanoparticles. The thickness of total IMC layer is decreased with the addition of Zn and Mo nanoparticles in the solder. The metallic nanoparticles can be divided into two groups. Ni, Co, and Zn nanoparticles undergo reactive dissolution during solder reflow, causing in situ alloying and therefore offering an alternative route of alloy additions to solders. Mo nanoparticles remain intact during reflow and impart their influence as discrete particles. Mechanisms of interactions between different types of metallic nanoparticles and solder are discussed.

  13. Yb-based heavy fermion compounds and field tuned quantum chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Mun, Eundeok [Iowa State Univ., Ames, IA (United States)

    2010-01-01

    The motivation of this dissertation was to advance the study of Yb-based heavy fermion (HF) compounds especially ones related to quantum phase transitions. One of the topics of this work was the investigation of the interaction between the Kondo and crystalline electric field (CEF) energy scales in Yb-based HF systems by means of thermoelectric power (TEP) measurements. In these systems, the Kondo interaction and CEF excitations generally give rise to large anomalies such as maxima in ρ(T) and as minima in S(T). The TEP data were use to determine the evolution of Kondo and CEF energy scales upon varying transition metals for YbT2Zn20 (T = Fe, Ru, Os, Ir, Rh, and Co) compounds and applying magnetic fields for YbAgGe and YbPtBi. For YbT2Zn20 and YbPtBi, the Kondo and CEF energy scales could not be well separated in S(T), presumably because of small CEF level splittings. A similar effect was observed for the magnetic contribution to the resistivity. For YbAgGe, S(T) has been successfully applied to determine the Kondo and CEF energy scales due to the clear separation between the ground state and thermally excited CEF states. The Kondo temperature, TK, inferred from the local maximum in S(T), remains finite as magnetic field increases up to 140 kOe. In this dissertation we have examined the heavy quasi-particle behavior, found near the field tuned AFM quantum critical point (QCP), with YbAgGe and YbPtBi. Although the observed nFL behaviors in the vicinity of the QCP are different between YbAgGe and YbPtBi, the constructed H-T phase diagram including the two crossovers are similar. For both YbAgGe and YbPtBi, the details of the quantum criticality turn out to be complicated. We expect that YbPtBi will provide an additional example of field tuned quantum criticality, but clearly there are further experimental investigations left and more ideas needed to understand the basic physics of field-induced quantum

  14. Surface-enhanced Raman scattering (SERS)-based volatile organic compounds (VOCs) detection using plasmonic bimetallic nanogap substrate

    DEFF Research Database (Denmark)

    Wong, Chi Lok; Dinish, U. S.; Buddharaju, Kavitha Devi

    2014-01-01

    In this paper, we present surface-enhanced Raman scattering (SERS)-based volatile organic compounds (VOCs) detection with bimetallic nanogap structure substrate. Deep UV photolithography at the wavelength of 250 nm is used to pattern circular shape nanostructures. The nanogap between adjacent cir......-based VOCs detection platform for point-of-care breath analysis, homeland security, chemical sensing and environmental monitoring....

  15. Use of natural compounds to improve the microbial stability of Amaranth-based homemade fresh pasta.

    Science.gov (United States)

    Del Nobile, M A; Di Benedetto, N; Suriano, N; Conte, A; Lamacchia, C; Corbo, M R; Sinigaglia, M

    2009-04-01

    A study on the use of natural antimicrobial compounds to improve the microbiological stability of refrigerated amaranth-based homemade fresh pasta is presented in this work. In particular, the antimicrobial activity of thymol, lemon extract, chitosan and grapefruit seed extract (GFSE) has been tested against mesophilic and psychrotrophic bacteria, total coliforms, Staphylococcus spp., yeasts and moulds. A sensory analysis on both fresh and cooked pasta was also run. Results suggest that chitosan and GFSE strongly increase the microbial acceptability limit of the investigated spoilage microorganisms, being the former the most effective. Thymol efficiently reduces the growth of mesophilic bacteria, psychrotrophic bacteria and Staphylococcus spp., whereas it does not affect, substantially, the growth cycle of total coliforms. Lemon extract is the less effective in preventing microbial growth. In fact, it is able to delay only total mesophilic and psychrotrophic bacterial evolution. From a sensorial point of view no significant differences were recorded between the control samples and all the types of loaded amaranth-based pasta.

  16. Ionic liquids based simultaneous ultrasonic and microwave assisted extraction of phenolic compounds from burdock leaves

    International Nuclear Information System (INIS)

    Lou Zaixiang; Wang Hongxin; Zhu Song; Chen Shangwei; Zhang Ming; Wang Zhouping

    2012-01-01

    The ionic liquids based simultaneous ultrasonic and microwave assisted extraction (IL-UMAE) technique was first proposed and applied to isolate compounds. The ionic liquids comprising a range of four anions, five 1-alkyl-3-methylimidazolium derivatives were designed and prepared. The results suggested that varying the anion and cation both had apparent effects on the extraction of phenolics. The results also showed that irradiation power, time and solid–liquid ratio significantly affected the yields. The yields of caffeic acid and quercetin obtained by IL-UMAE were higher than those by regular UMAE. Compared with conventional heat-reflux extraction (HRE), the proposed approach exhibited higher efficiency (8–17% enhanced) and shorter extraction time (from 5 h to 30 s). The results indicated ILUMAE to be a fast and efficient extraction technique. Moreover, the proposed method was validated by the reproducibility and recovery experiments. The ILUMAE method provided good recoveries (from 96.1% to 105.3%) with RSD lower than 5.2%, which indicated that the proposed method was credible. Based on the designable nature of ionic liquids, and the rapid and highly efficient performance of the proposed approach, ILUMAE provided a new alternative for preparation of various useful substances from solid samples.

  17. Improvement of Bioactive Compound Classification through Integration of Orthogonal Cell-Based Biosensing Methods

    Directory of Open Access Journals (Sweden)

    Goran N. Jovanovic

    2007-01-01

    Full Text Available Lack of specificity for different classes of chemical and biological agents, and false positives and negatives, can limit the range of applications for cell-based biosensors. This study suggests that the integration of results from algal cells (Mesotaenium caldariorum and fish chromatophores (Betta splendens improves classification efficiency and detection reliability. Cells were challenged with paraquat, mercuric chloride, sodium arsenite and clonidine. The two detection systems were independently investigated for classification of the toxin set by performing discriminant analysis. The algal system correctly classified 72% of the bioactive compounds, whereas the fish chromatophore system correctly classified 68%. The combined classification efficiency was 95%. The algal sensor readout is based on fluorescence measurements of changes in the energy producing pathways of photosynthetic cells, whereas the response from fish chromatophores was quantified using optical density. Change in optical density reflects interference with the functioning of cellular signal transduction networks. Thus, algal cells and fish chromatophores respond to the challenge agents through sufficiently different mechanisms of action to be considered orthogonal.

  18. Development of a Wireless and Passive SAW-Based Chemical Sensor for Organophosphorous Compound Detection

    Directory of Open Access Journals (Sweden)

    Fang-Qian Xu

    2015-12-01

    Full Text Available A new wireless and passive surface acoustic wave (SAW-based chemical sensor for organophosphorous compound (OC detection is presented. A 434 MHz reflective delay line configuration composed by single phase unidirectional transducers (SPUDTs and three shorted reflectors was fabricated on YZ LiNbO3 piezoelectric substrate as the sensor element. A thin fluoroalcoholpolysiloxane (SXFA film acted as the sensitive interface deposited onto the SAW propagation path between the second and last reflectors of the SAW device. The first reflector was used for the temperature compensation utilizing the difference method. The adsorption between the SXFA and OC molecules modulates the SAW propagation, especially for the time delay of the SAW, hence, the phase shifts of the reflection peaks from the corresponding reflectors can be used to characterize the target OC. Prior to the sensor fabrication, the coupling of modes (COM and perturbation theory were utilized to predict the SAW device performance and the gas adsorption. Referring to a frequency-modulated continuous wave (FMCW-based reader unit, the developed SAW chemical sensor was wirelessly characterized in gas exposure experiments for dimethylmethylphosphonate (DMMP detection. Sensor performance parameters such as phase sensitivity, repeatability, linearity, and temperature compensation were evaluated experimentally.

  19. Uranium-oxide-based catalysts for the destruction of volatile chloro-organic compounds

    International Nuclear Information System (INIS)

    Hutchings, G.; Heneghan, C.S.; Taylor, S.H.

    1996-01-01

    The industrial release of hydrocarbons and chlorine-containing organic molecules into the environment continues to attract considerable public concern, which in turn has led to governmental attempts to control such emissions. The challenge is to reduce pollution without stifling economic growth. Chlorine-containing pollutants are known to be particularly stable, and at present the main industrial process for their destruction involves thermal oxidation at 1,000 o C, an expensive process that can lead to the formation of highly toxic by-products such as dioxins and dibenzofurans. Catalytic combustion at lower temperatures could potentially destroy pollutants more efficiently (in terms of energy requirements) and without forming toxic by-products. Current industrial catalysts are based on precious metals that are deactivated rapidly by organochlorine compounds. Here we report that catalysts based on uranium oxide efficiently destroy a range of hydrocarbon and chlorine-containing pollutants, and that these catalysts are resistant to deactivation. We show that benzene, toluene, chlorobutane and chlorobenzene can be destroyed at moderate temperatures ( o C) and industrially relevant flow rates. (Author)

  20. Research of operational properties of compound based on high viscosity styrene-butadiene rubber SSBR-2560 TDAE HV

    Directory of Open Access Journals (Sweden)

    M. I. Falyakhov

    2016-01-01

    Full Text Available The article consider the influence of replacement of SSBR-2560 TDAE batch production on high viscosity SSBR-2560-TDAE HV in the tread recipe on the tire performance properties. Obtained samples were highly viscosity styrene butadiene rubber did not differ in the microstructure of the SSBR-2560 TDAE batch production. Increasing the molecular weight possible to increase the Mooney viscosity of the rubber, however, is known to one of adverse factors is the deterioration of processability of rubber compounds based on polymers. In this connection, investigated the behavior in the step mixing compound based on high viscosity SSBR rubber. We chose recipes tread of the tire with a high content of organic silicon filler. It is established that the equivalent replacement of the polymer in the tread recipe does not lead to significant changes in the basic parameters of rubber mixing. We observed a slight increase in the energy consumption for the preparation of the rubber compounds, as well as the discharge temperature at each stage. It was shown to improve the distribution of the filler in the polymer matrix for the compound based on SSBR-2560 TDAE HV. The results showed that compound based on high viscosity SSBR improves rolling resistance and traction characteristics, while maintaining abrasion in comparison with the SSBR-2560-M27 batch production. Recommended use this brand in the production of rubber car tires.

  1. BitterSweetForest: A random forest based binary classifier to predict bitterness and sweetness of chemical compounds

    Science.gov (United States)

    Banerjee, Priyanka; Preissner, Robert

    2018-04-01

    Taste of a chemical compounds present in food stimulates us to take in nutrients and avoid poisons. However, the perception of taste greatly depends on the genetic as well as evolutionary perspectives. The aim of this work was the development and validation of a machine learning model based on molecular fingerprints to discriminate between sweet and bitter taste of molecules. BitterSweetForest is the first open access model based on KNIME workflow that provides platform for prediction of bitter and sweet taste of chemical compounds using molecular fingerprints and Random Forest based classifier. The constructed model yielded an accuracy of 95% and an AUC of 0.98 in cross-validation. In independent test set, BitterSweetForest achieved an accuracy of 96 % and an AUC of 0.98 for bitter and sweet taste prediction. The constructed model was further applied to predict the bitter and sweet taste of natural compounds, approved drugs as well as on an acute toxicity compound data set. BitterSweetForest suggests 70% of the natural product space, as bitter and 10 % of the natural product space as sweet with confidence score of 0.60 and above. 77 % of the approved drug set was predicted as bitter and 2% as sweet with a confidence scores of 0.75 and above. Similarly, 75% of the total compounds from acute oral toxicity class were predicted only as bitter with a minimum confidence score of 0.75, revealing toxic compounds are mostly bitter. Furthermore, we applied a Bayesian based feature analysis method to discriminate the most occurring chemical features between sweet and bitter compounds from the feature space of a circular fingerprint.

  2. Atom-type-based AI topological descriptors: application in structure-boiling point correlations of oxo organic compounds.

    Science.gov (United States)

    Ren, Biye

    2003-01-01

    Structure-boiling point relationships are studied for a series of oxo organic compounds by means of multiple linear regression (MLR) analysis. Excellent MLR models based on the recently introduced Xu index and the atom-type-based AI indices are obtained for the two subsets containing respectively 77 ethers and 107 carbonyl compounds and a combined set of 184 oxo compounds. The best models are tested using the leave-one-out cross-validation and an external test set, respectively. The MLR model produces a correlation coefficient of r = 0.9977 and a standard error of s = 3.99 degrees C for the training set of 184 compounds, and r(cv) = 0.9974 and s(cv) = 4.16 degrees C for the cross-validation set, and r(pred) = 0.9949 and s(pred) = 4.38 degrees C for the prediction set of 21 compounds. For the two subsets containing respectively 77 ethers and 107 carbonyl compounds, the quality of the models is further improved. The standard errors are reduced to 3.30 and 3.02 degrees C, respectively. Furthermore, the results obtained from this study indicate that the boiling points of the studied oxo compound dominantly depend on molecular size and also depend on individual atom types, especially oxygen heteroatoms in molecules due to strong polar interactions between molecules. These excellent structure-boiling point models not only provide profound insights into the role of structural features in a molecule but also illustrate the usefulness of these indices in QSPR/QSAR modeling of complex compounds.

  3. Luminescence of Ce doped oxygen crystalline compounds based on Hf and Ba

    CERN Document Server

    Borisevich, A E; Lecoq, P

    2003-01-01

    The luminescence properties of the Ce-doped hafnium and barium compounds have been investigated to determine their potential as heavy scintillation materials. Compounds have been prepared by solid state synthesis. All of them have shown a bright luminescence attributed to trivalent cerium. Emission bands are peaked in the 425-475nm spectral region at room temperature.

  4. Relationships for the impact sensitivities of energetic C-nitro compounds based on bond dissociation energy.

    Science.gov (United States)

    Li, Jinshan

    2010-02-18

    The ZPE-corrected C-NO(2) bond dissociation energies (BDEs(ZPE)) of a series of model C-nitro compounds and 26 energetic C-nitro compounds have been calculated using density functional theory methods. Computed results show that for C-nitro compounds the UB3LYP calculated BDE(ZPE) is less than the UB3P86 using the 6-31G** basis set, and the UB3P86 BDE(ZPE) changes slightly with the basis set varying from 6-31G** to 6-31++G**. For the series of model C-nitro compounds with different chemical skeletons, it is drawn from NBO analysis that the order of BDE(ZPE) is not only in line with that of the NAO bond order but also with that of the energy gap between C-NO(2) bonding and antibonding orbitals. It is found that for the energetic C-nitro compounds whose drop energies (Es(dr)) are below 24.5 J a good linear correlation exists between E(dr) and BDE(ZPE), implying that these compounds ignite through the C-NO(2) dissociation mechanism. After excluding the so-called trinitrotoluene mechanism compounds, a polynomial correlation of ln(E(dr)) with the BDE(ZPE) calculated at density functional theory levels has been established successfully for the 18 C-NO(2) dissociation energetic C-nitro compounds.

  5. SEURAT-1 liver gold reference compounds: a mechanism-based review.

    Science.gov (United States)

    Jennings, Paul; Schwarz, Michael; Landesmann, Brigitte; Maggioni, Silvia; Goumenou, Marina; Bower, David; Leonard, Martin O; Wiseman, Jeffrey S

    2014-12-01

    There is an urgent need for the development of alternative methods to replace animal testing for the prediction of repeat dose chemical toxicity. To address this need, the European Commission and Cosmetics Europe have jointly funded a research program for 'Safety Evaluation Ultimately Replacing Animal Testing.' The goal of this program was the development of in vitro cellular systems and associated computational capabilities for the prediction of hepatic, cardiac, renal, neuronal, muscle, and skin toxicities. An essential component of this effort is the choice of appropriate reference compounds that can be used in the development and validation of assays. In this review, we focus on the selection of reference compounds for liver pathologies in the broad categories of cytotoxicity and lipid disorders. Mitochondrial impairment, oxidative stress, and apoptosis are considered under the category of cytotoxicity, while steatosis, cholestasis, and phospholipidosis are considered under the category of lipid dysregulation. We focused on four compound classes capable of initiating such events, i.e., chemically reactive compounds, compounds with specific cellular targets, compounds that modulate lipid regulatory networks, and compounds that disrupt the plasma membrane. We describe the molecular mechanisms of these compounds and the cellular response networks which they elicit. This information will be helpful to both improve our understanding of mode of action and help in the selection of appropriate mechanistic biomarkers, allowing us to progress the development of animal-free models with improved predictivity to the human situation.

  6. Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.

    Science.gov (United States)

    Marrero-Ponce, Yovani; Iyarreta-Veitía, Maité; Montero-Torres, Alina; Romero-Zaldivar, Carlos; Brandt, Carlos A; Avila, Priscilla E; Kirchgatter, Karin; Machado, Yanetsy

    2005-01-01

    and stochastic atom-based quadratic fingerprints were 93.93% and 92.77%, respectively. The quadratic maps-based TOMOCOMD-CARDD approach implemented in this work was successfully compared with four of the most useful models for antimalarials selection reported to date. The developed models were then used in a simulation of a virtual search for Ras FTase (FTase = farnesyltransferase) inhibitors with antimalarial activity; 70% and 100% of the 10 inhibitors used in this virtual search were correctly classified, showing the ability of the models to identify new lead antimalarials. Finally, these two QSAR models were used in the identification of previously unknown antimalarials. In this sense, three synthetic intermediaries of quinolinic compounds were evaluated as active/inactive ones using the developed models. The synthesis and biological evaluation of these chemicals against two malaria strains, using chloroquine as a reference, was performed. An accuracy of 100% with the theoretical predictions was observed. Compound 3 showed antimalarial activity, being the first report of an arylaminomethylenemalonate having such behavior. This result opens a door to a virtual study considering a higher variability of the structural core already evaluated, as well as of other chemicals not included in this study. We conclude that the approach described here seems to be a promising QSAR tool for the molecular discovery of novel classes of antimalarial drugs, which may meet the dual challenges posed by drug-resistant parasites and the rapid progression of malaria illnesses.

  7. Room Temperature Hard Radiation Detectors Based on Solid State Compound Semiconductors: An Overview

    Science.gov (United States)

    Mirzaei, Ali; Huh, Jeung-Soo; Kim, Sang Sub; Kim, Hyoun Woo

    2018-05-01

    Si and Ge single crystals are the most common semiconductor radiation detectors. However, they need to work at cryogenic temperatures to decrease their noise levels. In contrast, compound semiconductors can be operated at room temperature due to their ability to grow compound materials with tunable densities, band gaps and atomic numbers. Highly efficient room temperature hard radiation detectors can be utilized in biomedical diagnostics, nuclear safety and homeland security applications. In this review, we discuss room temperature compound semiconductors. Since the field of radiation detection is broad and a discussion of all compound materials for radiation sensing is impossible, we discuss the most important materials for the detection of hard radiation with a focus on binary heavy metal semiconductors and ternary and quaternary chalcogenide compounds.

  8. Room Temperature Hard Radiation Detectors Based on Solid State Compound Semiconductors: An Overview

    Science.gov (United States)

    Mirzaei, Ali; Huh, Jeung-Soo; Kim, Sang Sub; Kim, Hyoun Woo

    2018-03-01

    Si and Ge single crystals are the most common semiconductor radiation detectors. However, they need to work at cryogenic temperatures to decrease their noise levels. In contrast, compound semiconductors can be operated at room temperature due to their ability to grow compound materials with tunable densities, band gaps and atomic numbers. Highly efficient room temperature hard radiation detectors can be utilized in biomedical diagnostics, nuclear safety and homeland security applications. In this review, we discuss room temperature compound semiconductors. Since the field of radiation detection is broad and a discussion of all compound materials for radiation sensing is impossible, we discuss the most important materials for the detection of hard radiation with a focus on binary heavy metal semiconductors and ternary and quaternary chalcogenide compounds.

  9. Health service utilisation and investigations before diagnosis of cancer of unknown primary (CUP): A population-based nested case-control study in Australian Government Department of Veterans' Affairs clients.

    Science.gov (United States)

    Vajdic, Claire M; Schaffer, Andrea L; Dobbins, Timothy A; Ward, Robyn L; Er, Chuang C; Pearson, Sallie-Anne

    2015-08-01

    Population-based data on the use of health services and diagnostic investigations for patients with cancer of unknown primary (CUP) is scarce. It is uncertain whether the pathways to diagnosis are different for CUP compared to other cancers. We performed a population-based nested matched case-control study using linked routinely collected records for Australian Government Department of Veterans' Affairs clients, 2004-2007. We compared health care consultations, hospitalisations, emergency department visits, and diagnostic procedures in the three months prior and the month of diagnosis for 281 clients registered with a diagnosis of CUP (C809) and 1102 controls randomly selected from clients registered with a first diagnosis of metastatic cancer of known primary. Overall, the median age at cancer diagnosis was 83 years. CUP patients were slightly older and had significantly more comorbidities prior to diagnosis than those with known primary. Compared to known primary, a diagnosis of CUP was significantly more likely after an emergency department visit, less specialist input, fewer invasive diagnostic procedures such as resection or endoscopy, and more non-invasive procedures such as magnetic resonance imaging. There were no differences in primary care or allied health consultations and hospitalisations. This health care pathway suggests delayed recognition of cancer and scope for improvement in the medical management of high-risk individuals presenting to primary care. The pattern of diagnostic investigations reveals under-investigation in some CUP patients but this is likely to reflect recognition of limited treatment options and poor prognosis and is consistent with clinical guidelines. Copyright © 2015 Commonwealth of Australia. Published by Elsevier Ltd.. All rights reserved.

  10. Key volatile aroma compounds of lactic acid fermented malt based beverages - impact of lactic acid bacteria strains.

    Science.gov (United States)

    Nsogning Dongmo, Sorelle; Sacher, Bertram; Kollmannsberger, Hubert; Becker, Thomas

    2017-08-15

    This study aims to define the aroma composition and key aroma compounds of barley malt wort beverages produced from fermentation using six lactic acid bacteria (LAB) strains. Gas chromatography mass spectrometry-olfactometry and flame ionization detection was employed; key aroma compounds were determined by means of aroma extract dilution analysis. Fifty-six detected volatile compounds were similar among beverages. However, significant differences were observed in the concentration of individual compounds. Key aroma compounds (flavor dilution (FD) factors ≥16) were β-damascenone, furaneol, phenylacetic acid, 2-phenylethanol, 4-vinylguaiacol, sotolon, methional, vanillin, acetic acid, nor-furaneol, guaiacol and ethyl 2-methylbutanoate. Furthermore, acetaldehyde had the greatest odor activity value of up to 4266. Sensory analyses revealed large differences in the flavor profile. Beverage from L. plantarum Lp. 758 showed the highest FD factors in key aroma compounds and was correlated to fruity flavors. Therefore, we suggest that suitable LAB strain selection may improve the flavor of malt based beverages. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Chinese Unknown Word Recognition for PCFG-LA Parsing

    Directory of Open Access Journals (Sweden)

    Qiuping Huang

    2014-01-01

    Full Text Available This paper investigates the recognition of unknown words in Chinese parsing. Two methods are proposed to handle this problem. One is the modification of a character-based model. We model the emission probability of an unknown word using the first and last characters in the word. It aims to reduce the POS tag ambiguities of unknown words to improve the parsing performance. In addition, a novel method, using graph-based semisupervised learning (SSL, is proposed to improve the syntax parsing of unknown words. Its goal is to discover additional lexical knowledge from a large amount of unlabeled data to help the syntax parsing. The method is mainly to propagate lexical emission probabilities to unknown words by building the similarity graphs over the words of labeled and unlabeled data. The derived distributions are incorporated into the parsing process. The proposed methods are effective in dealing with the unknown words to improve the parsing. Empirical results for Penn Chinese Treebank and TCT Treebank revealed its effectiveness.

  12. Speckle reduction process based on digital filtering and wavelet compounding in optical coherence tomography for dermatology

    Science.gov (United States)

    Gómez Valverde, Juan J.; Ortuño, Juan E.; Guerra, Pedro; Hermann, Boris; Zabihian, Behrooz; Rubio-Guivernau, José L.; Santos, Andrés.; Drexler, Wolfgang; Ledesma-Carbayo, Maria J.

    2015-07-01

    Optical Coherence Tomography (OCT) has shown a great potential as a complementary imaging tool in the diagnosis of skin diseases. Speckle noise is the most prominent artifact present in OCT images and could limit the interpretation and detection capabilities. In this work we propose a new speckle reduction process and compare it with various denoising filters with high edge-preserving potential, using several sets of dermatological OCT B-scans. To validate the performance we used a custom-designed spectral domain OCT and two different data set groups. The first group consisted in five datasets of a single B-scan captured N times (with N<20), the second were five 3D volumes of 25 Bscans. As quality metrics we used signal to noise (SNR), contrast to noise (CNR) and equivalent number of looks (ENL) ratios. Our results show that a process based on a combination of a 2D enhanced sigma digital filter and a wavelet compounding method achieves the best results in terms of the improvement of the quality metrics. In the first group of individual B-scans we achieved improvements in SNR, CNR and ENL of 16.87 dB, 2.19 and 328 respectively; for the 3D volume datasets the improvements were 15.65 dB, 3.44 and 1148. Our results suggest that the proposed enhancement process may significantly reduce speckle, increasing SNR, CNR and ENL and reducing the number of extra acquisitions of the same frame.

  13. Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.

    Science.gov (United States)

    Prosdocimi, Tommaso; Mollica, Luca; Donini, Stefano; Semrau, Marta S; Lucarelli, Anna Paola; Aiolfi, Egidio; Cavalli, Andrea; Storici, Paola; Alfei, Silvana; Brullo, Chiara; Bruno, Olga; Parisini, Emilio

    2018-05-01

    Selected members of the large rolipram-related GEBR family of type 4 phosphodiesterase (PDE4) inhibitors have been shown to facilitate long-term potentiation and to improve memory functions without causing emetic-like behavior in rodents. Despite their micromolar-range binding affinities and their promising pharmacological and toxicological profiles, few if any structure-activity relationship studies have been performed to elucidate the molecular bases of their action. Here, we report the crystal structure of a number of GEBR library compounds in complex with the catalytic domain of PDE4D as well as their inhibitory profiles for both the long PDE4D3 isoform and the catalytic domain alone. Furthermore, we assessed the stability of the observed ligand conformations in the context of the intact enzyme using molecular dynamics simulations. The longer and more flexible ligands appear to be capable of forming contacts with the regulatory portion of the enzyme, thus possibly allowing some degree of selectivity between the different PDE4 isoforms.

  14. Influence of hydrogen absorption on magnetic ordering in some zirconium-based Laves phase compounds

    International Nuclear Information System (INIS)

    Fujii, H.; Pourarian, F.; Wallace, W.E.

    1982-01-01

    Magnetization measurements were carried out on several zirconium-based hexagonal Laves phase compounds, i.e. the ZrMnsub(2+delta), (Zr,Ti)Mn 2 , Zr(Mn,Fe) 2 and Zr(Fe,Al) 2 systems and their hydrides. The absorbed hydrogen leads to a large increase (20%-30%) in volume without a change in the crystal structure. ZrMnsub(2+delta) is a weak Pauli paramagnet but becomes a spin glass near-ferromagnet by hydriding, indicating that the manganese moments are subjected to competing ferromagnetic and antiferromagnetic coupling tendencies. In the (Zrsub(1-x)Tisub(x))Mn 2 hydrides, ferromagnetic, spin-glass-like, ferromagnetic and antiferromagnetic behaviors appear at 4.2 K in the sequence of increasing x and/or decrease in hydrogen concentration. In the Zr(Mn,Fe) 2 system, the hydrogen absorption increases both the magnetic moments and the magnetic transition temperatures, while absorbed hydrogen leads to suppression of ferromagnetism in the Zr(Fe,Al) 2 system. These varied and complex magnetic behaviors are attributed to the effects of (1) variations in the interatomic distances, (2) changes in the 3d electron concentration and (3) varying local hydrogen concentrations occurring as a result of statistical fluctuations. (Auth.)

  15. Soda-based glass fabricated from Thailand quartz sands doped with silver compound

    Science.gov (United States)

    Won-in, Krit; Dararutana, Pisutti

    2012-10-01

    Yellow colored glass which used for luxury art glass in ancient time was fabricated by the addition of silver compound into the molten glass. It was proved that it was actually silver nanoparticle technology. In this work, the SiO2-(Na2O,K2O)-CaO-B2O3-Al2O3-MgO glass system was prepared in the laboratory scale based on local quartz sands from Trat Province, eastern area of Thailand as the silica raw material. Various concentrations of silver nitrate were added. After the complete conventional melting process, the bubble-free yellow glasses were yielded. Physical and optical properties such as density, refractive index and optical absorption spectra were measured. Scanning electron microscope coupled with energy dispersive spectroscopy was carried out to study their morphology. The refractive indices and densities were increased as the increase of the silver contents. Electron micrographs showed the presence of silver nanoparticle in the glass matrix. UV-VIS spectra were in good agreement with that found from SEM measurements and corresponded with the universally accepted. It was also showed that the more brilliance on the surface of the glass products was obtained after firing with a gas torch.

  16. Extraction optimization and pixel-based chemometric analysis of semi-volatile organic compounds in groundwater

    DEFF Research Database (Denmark)

    Christensen, Peter; Tomasi, Giorgio; Kristensen, Mette

    2017-01-01

    . In this study, we tested the combination of solid phase extraction (SPE) with dispersive liquid-liquid micro extraction (DLLME), or with stir bar sorptive extraction (SBSE), as an extraction method for semi-VOCs in groundwater. Combining SPE with DLLME or SBSE resulted in better separation of peaks...... in an unresolved complex mixture. SPE-DLLME was chosen as the preferred extraction method. SPE-DLLME covered a larger polarity range (logKo/w 2.0-11.2), had higher extraction efficiency at logKo/w 2.0-3.8 and 5.8-11.2, and was faster compared to SPE-SBSE. SPE-DLLME extraction combined with chemical analysis by gas...... chromatography-mass spectrometry (GC-MS) and pixel-based data analysis of summed extraction ion chromatograms (sEICs) was tested as a new method for chemical fingerprinting of semi-VOCs in 15 groundwater samples. The results demonstrate that SPE-DLLME-GC-MS provides an excellent compromise between compound...

  17. Functional Analysis of OMICs Data and Small Molecule Compounds in an Integrated "Knowledge-Based" Platform.

    Science.gov (United States)

    Dubovenko, Alexey; Nikolsky, Yuri; Rakhmatulin, Eugene; Nikolskaya, Tatiana

    2017-01-01

    Analysis of NGS and other sequencing data, gene variants, gene expression, proteomics, and other high-throughput (OMICs) data is challenging because of its biological complexity and high level of technical and biological noise. One way to deal with both problems is to perform analysis with a high fidelity annotated knowledgebase of protein interactions, pathways, and functional ontologies. This knowledgebase has to be structured in a computer-readable format and must include software tools for managing experimental data, analysis, and reporting. Here, we present MetaCore™ and Key Pathway Advisor (KPA), an integrated platform for functional data analysis. On the content side, MetaCore and KPA encompass a comprehensive database of molecular interactions of different types, pathways, network models, and ten functional ontologies covering human, mouse, and rat genes. The analytical toolkit includes tools for gene/protein list enrichment analysis, statistical "interactome" tool for the identification of over- and under-connected proteins in the dataset, and a biological network analysis module made up of network generation algorithms and filters. The suite also features Advanced Search, an application for combinatorial search of the database content, as well as a Java-based tool called Pathway Map Creator for drawing and editing custom pathway maps. Applications of MetaCore and KPA include molecular mode of action of disease research, identification of potential biomarkers and drug targets, pathway hypothesis generation, analysis of biological effects for novel small molecule compounds and clinical applications (analysis of large cohorts of patients, and translational and personalized medicine).

  18. Pharmacologically directed strategies in academic anticancer drug discovery based on the European NCI compounds initiative.

    Science.gov (United States)

    Hendriks, Hans R; Govaerts, Anne-Sophie; Fichtner, Iduna; Burtles, Sally; Westwell, Andrew D; Peters, Godefridus J

    2017-07-11

    The European NCI compounds programme, a joint initiative of the EORTC Research Branch, Cancer Research Campaign and the US National Cancer Institute, was initiated in 1993. The objective was to help the NCI in reducing the backlog of in vivo testing of potential anticancer compounds, synthesised in Europe that emerged from the NCI in vitro 60-cell screen. Over a period of more than twenty years the EORTC-Cancer Research Campaign panel reviewed ∼2000 compounds of which 95 were selected for further evaluation. Selected compounds were stepwise developed with clear go/no go decision points using a pharmacologically directed programme. This approach eliminated quickly compounds with unsuitable pharmacological properties. A few compounds went into Phase I clinical evaluation. The lessons learned and many of the principles outlined in the paper can easily be applied to current and future drug discovery and development programmes. Changes in the review panel, restrictions regarding numbers and types of compounds tested in the NCI in vitro screen and the appearance of targeted agents led to the discontinuation of the European NCI programme in 2017 and its transformation into an academic platform of excellence for anticancer drug discovery and development within the EORTC-PAMM group. This group remains open for advice and collaboration with interested parties in the field of cancer pharmacology.

  19. Grasping Unknown Objects in an Early Cognitive Vision System

    DEFF Research Database (Denmark)

    Popovic, Mila

    2011-01-01

    Grasping of unknown objects presents an important and challenging part of robot manipulation. The growing area of service robotics depends upon the ability of robots to autonomously grasp and manipulate a wide range of objects in everyday environments. Simple, non task-specific grasps of unknown ...... and comparing vision-based grasping methods, and the creation of algorithms for bootstrapping a process of acquiring world understanding for artificial cognitive agents....... presents a system for robotic grasping of unknown objects us- ing stereo vision. Grasps are defined based on contour and surface information provided by the Early Cognitive Vision System, that organizes visual informa- tion into a biologically motivated hierarchical representation. The contributions...... of the thesis are: the extension of the Early Cognitive Vision representation with a new type of feature hierarchy in the texture domain, the definition and evaluation of contour based grasping methods, the definition and evaluation of surface based grasping methods, the definition of a benchmark for testing...

  20. Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target.

    Science.gov (United States)

    Chiba, Shuntaro; Ikeda, Kazuyoshi; Ishida, Takashi; Gromiha, M Michael; Taguchi, Y-H; Iwadate, Mitsuo; Umeyama, Hideaki; Hsin, Kun-Yi; Kitano, Hiroaki; Yamamoto, Kazuki; Sugaya, Nobuyoshi; Kato, Koya; Okuno, Tatsuya; Chikenji, George; Mochizuki, Masahiro; Yasuo, Nobuaki; Yoshino, Ryunosuke; Yanagisawa, Keisuke; Ban, Tomohiro; Teramoto, Reiji; Ramakrishnan, Chandrasekaran; Thangakani, A Mary; Velmurugan, D; Prathipati, Philip; Ito, Junichi; Tsuchiya, Yuko; Mizuguchi, Kenji; Honma, Teruki; Hirokawa, Takatsugu; Akiyama, Yutaka; Sekijima, Masakazu

    2015-11-26

    A search of broader range of chemical space is important for drug discovery. Different methods of computer-aided drug discovery (CADD) are known to propose compounds in different chemical spaces as hit molecules for the same target protein. This study aimed at using multiple CADD methods through open innovation to achieve a level of hit molecule diversity that is not achievable with any particular single method. We held a compound proposal contest, in which multiple research groups participated and predicted inhibitors of tyrosine-protein kinase Yes. This showed whether collective knowledge based on individual approaches helped to obtain hit compounds from a broad range of chemical space and whether the contest-based approach was effective.

  1. Impact of high-intensity pulsed electric fields on bioactive compounds in Mediterranean plant-based foods.

    Science.gov (United States)

    Elez-Martínez, Pedro; Soliva-Fortuny, Robert; Martín-Belloso, Olga

    2009-05-01

    Novel non-thermal processing technologies such as high-intensity pulsed electric field (HIPEF) treatments may be applied to pasteurize plant-based liquid foods as an alternative to conventional heat treatments. In recent years, there has been an increasing interest in HIPEF as a way of preserving and extending the shelf-life of liquid products without the quality damage caused by heat treatments. However, less attention has been paid to the effects of HIPEF on minor constituents of these products, namely bioactive compounds. This review is a state-of-the-art update on the effects of HIPEF treatments on health-related compounds in plants of the Mediterranean diet such as fruit juices, and Spanish gazpacho. The relevance of HIPEF-processing parameters on retaining plant-based bioactive compounds will be discussed.

  2. Stability, Reactivity, and Constituent Interaction in TiSe2-Based Metastable Misfit Layer Compounds Synthesized from Designed Amorphous Precursors

    Science.gov (United States)

    Merrill, Devin R.

    A series of intergrowth compounds with the basic formula [(MSe) 1+delta]m(TiSe2)n are reported. The compounds are prepared from modulated elemental reactants and display interesting structural and electronic behavior. Section 1 of this dissertation outlines initial attempts to characterize constituent interaction. The first member of the SnSe based subclass is reported and displays the highest Seebeck coefficient of any m = n = 1 compound reported to date, and a surprising amount of order is observed, compared to previously reported compounds. With properly established deposition parameters, the synthesis was extended to included the m = 2-4 compounds. These compounds display interesting electronic behavior that suggests the band structure shifts considerably as the SnSe block is expanded, affecting the interaction between the constituent layers. The first compound based on BiSe is then reported, suggesting that the Bi structure donates more conduction electrons to the band structure. Targeted substitution through kinetic control is the focus of Section 2, and a family of (PbxSn1-xSe)1+deltaTiSe 2 is reported over the entire range of x, even though a miscibility gap exists in the bulk PbxSn1-xSe system. The resulting alloyed intergrowth compounds also display equal or higher mobility than the end members, suggesting modulation doping could be used to affect transport properties. As a proof of principle, the analogous system based on a Bi xSn1-xSe constituent was prepared to attempt to systematically affect carrier concentration. It was found that while carrier concentration can be controlled, the evolving structure affects the doping efficiency of the Bi atoms and mobility in the structure. Section 3 outlines attempts to form higher order TiSe2-based heterostructures and the important chemical considerations observed during the preparation of these materials. The 3 component systems in the Pb-Sn-Ti-Se system can be formed at low temperature, with SnSe2 rather than

  3. Post processing of protein-compound docking for fragment-based drug discovery (FBDD): in-silico structure-based drug screening and ligand-binding pose prediction.

    Science.gov (United States)

    Fukunishi, Yoshifumi

    2010-01-01

    For fragment-based drug development, both hit (active) compound prediction and docking-pose (protein-ligand complex structure) prediction of the hit compound are important, since chemical modification (fragment linking, fragment evolution) subsequent to the hit discovery must be performed based on the protein-ligand complex structure. However, the naïve protein-compound docking calculation shows poor accuracy in terms of docking-pose prediction. Thus, post-processing of the protein-compound docking is necessary. Recently, several methods for the post-processing of protein-compound docking have been proposed. In FBDD, the compounds are smaller than those for conventional drug screening. This makes it difficult to perform the protein-compound docking calculation. A method to avoid this problem has been reported. Protein-ligand binding free energy estimation is useful to reduce the procedures involved in the chemical modification of the hit fragment. Several prediction methods have been proposed for high-accuracy estimation of protein-ligand binding free energy. This paper summarizes the various computational methods proposed for docking-pose prediction and their usefulness in FBDD.

  4. [Safe and effective administration of carboplatin-based chemotherapy in a patient undergoing hemodialysis with cancer of unknown primary by monitoring observed AUC of carboplatin-a case report].

    Science.gov (United States)

    Kondo, Masahiro; Kuroda, Junko; Ikai, Yoshitomo; Hayashi, Rumiko; Uegaki, Shiori; Yoshida, Tatsuya; Yoshida, Atsuhiro; Komatsu, Hirokazu; Kimura, Kazunori

    2012-11-01

    Here we report a case of successful treatment with combination chemotherapy of carboplatin(CBDCA)and paclitaxel for a patient undergoing hemodialysis(HD)with cancer of unknown primary, conducted by monitoring the observed AUC of ultrafilterable CBDCA. CBDCA was administered at a dose of 125 mg on day 1 in each course, an amount which had been calculated by the Calvert formula(GFR: 0, target AUC: 5). HD was started at a point in time one hour after the completion of each CBDCA administration, and performed for 5 hours in each course. Blood samples were collected during the first 3 courses of chemotherapy to measure the plasma concentration of free-platinum. The observed AUCs(o-AUC)of CBDCA in the first, second and third courses were 3. 03, 3. 44 and 3. 50mg·min/mL, respectively. The o-AUC in the first course was lower than that in the second course. The o-AUC in the second course was nearly equal to that in the third course, while each o-AUC was below the target AUC(t-AUC). Partial response was achieved after two courses of the CBDCA and paclitaxel combination chemotherapy, with adverse events of Grade 3 neutropenia and Grade 3 peripheral neuropathy observed in each course after the second course of chemotherapy. o-AUC of CBDCA administered to HD patients can not only be below t-AUC, as in this case, but also oppositely above t-AUC in cases with different doses of CBDCA or HD settings. Our results suggest that the monitoring of o-AUC of CBDCA is useful when practicing CBDCA-based chemotherapy safely and effectively in cancer patients undergoing HD.

  5. Organic Spectroscopy Laboratory: Utilizing IR and NMR in the Identification of an Unknown Substance

    Science.gov (United States)

    Glagovich, Neil M.; Shine, Timothy D.

    2005-01-01

    A laboratory experiment that emphasizes the interpretation of both infrared (IR) and nuclear magnetic resonance (NMR) spectra in the elucidation of the structure of an unknown compound was developed. The method helps students determine [to the first power]H- and [to the thirteenth power]C-NMR spectra from the structures of compounds and to…

  6. Lattice Gas Model Based Optimization of Plasma-Surface Processes for GaN-Based Compound Growth

    Science.gov (United States)

    Nonokawa, Kiyohide; Suzuki, Takuma; Kitamori, Kazutaka; Sawada, Takayuki

    2001-10-01

    Progress of the epitaxial growth technique for GaN-based compounds makes these materials attractive for applications in high temperature/high-power electronic devices as well as in short-wavelength optoelectronic devices. For MBE growth of GaN epilayer, atomic nitrogen is usually supplied from ECR-plasma while atomic Ga is supplied from conventional K-cell. To grow high-quality epilayer, fundamental knowledge of the detailed atomic process, such as adsorption, surface migration, incorporation, desorption and so forth, is required. We have studied the influence of growth conditions on the flatness of the growth front surface and the growth rate using Monte Carlo simulation based on the lattice gas model. Under the fixed Ga flux condition, the lower the nitrogen flux and/or the higher the growth temperature, the better the flatness of the front surface at the sacrifice of the growth rate of the epilayer. When the nitrogen flux is increased, the growth rate reaches saturation value determined from the Ga flux. At a fixed growth temperature, increasing of nitrogen to Ga flux ratio results in rough surface owing to 3-dimensional island formation. Other characteristics of MBE-GaN growth using ECR-plasma can be well reproduced.

  7. Orientation distribution in Bi2Te3-based compound prepared by spark plasma sintering

    International Nuclear Information System (INIS)

    Kim, K.T.; Kim, Y.H.; Lim, C.H.; Cho, D.C.; Lee, Y.S.; Lee, C.H.

    2005-01-01

    P-type Bi 0.5 Sb 1.5 Te 3 compounds doped with 3wt.% Te were fabricated by spark plasma sintering after mixing large powders(P L ) and small powders(P S ). We could obtained the highest figure of merit(Z C ) of 2.89 x 10 -3 /K in sintered compound mixed to P L :P S =80:20. This resulted from the increase of orientation by large powders(P S ) and the reduce of pores by small powders. The figure of merit(Z C ) of the sintered compound using only small powders(P S ) showed lower value of 2.67 x 10 -3 /K compared with that of sintered compound mixed to P L :P S =80:20 due to the increase of electrical resistivity. (orig.)

  8. Fluorescent deep-blue and hybrid white emitting devices based on a naphthalene-benzofuran compound

    KAUST Repository

    Yang, Xiaohui; Zheng, Shijun; Chae, HyunSik; Li, Sheng; Mochizuki, Amane; Jabbour, Ghassan E.

    2013-01-01

    We report the synthesis, photophysics and electrochemical properties of naphthalene-benzofuran compound 1 and its application in organic light emitting devices. Fluorescent deep-blue emitting devices employing 1 as the emitting dopant embedded in 4

  9. Effective anti-leishmanial activity of minimalist squaramide-based compounds.

    Science.gov (United States)

    Marín, Clotilde; Ximenis, Marta; Ramirez-Macías, Inmaculada; Rotger, Carmen; Urbanova, Kristina; Olmo, Francisco; Martín-Escolano, Rubén; Rosales, María José; Cañas, Rocio; Gutierrez-Sánchez, Ramón; Costa, Antonio; Sánchez-Moreno, Manuel

    2016-11-01

    In order to evaluate the in vitro leishmanicidal activity of N,N'-Squaramides derivatives, compounds that feature both hydrogen bond donor and acceptor groups and are capable of multiple interactions with complementary sites, against Leishmania infantum, Leishmania braziliensis and Leishmania donovani a series of 18compounds was prepared and assayed on extracellular and intracellular parasite forms. Infectivity and cytotoxicity tests were performed on J774.2 macrophage cells using meglumine antimoniate (Glucantime) as the reference drug. Changes in metabolite excretion by 1 H-NMR and the ultrastructural alterations occurring in the parasites treated using transmission electron microscopy (TEM), was analyzed. Compounds 1, 7, 11, 14 and 17 were the more active and less toxic. Infection rates showed that the order of effectiveness was 17 > 11 > 14 > 7 for both L. infantum and L. braziliensis and in the same way, the compound 1 for L. donovani. All these compounds have altered the typical structure of the promastigotes, glycosomes and mitochondria. These severe modifications by the compounds are the ultimate reasons for the alterations observed in the excretion products. The Squaramide 17 (3-(butylamino)-4-((3-(dimetilamino)propyl)(methyl)amino)cyclobut-3-en-1,2-dione) was clearly the most efficient of all compounds. The data appear to confirm that the severe modifications generated in organelles such as glycosomes or mitochondria by the compounds are the ultimate reasons for the alterations observed in the excretion products of all species. The activity, stability, low cost of starting materials, and straightforward synthesis make amino squaramides appropriate molecules for the development of an affordable anti-leishmanial agent. Copyright © 2016. Published by Elsevier Inc.

  10. Nanomaterial-Based Sensing and Biosensing of Phenolic Compounds and Related Antioxidant Capacity in Food

    OpenAIRE

    Flavio Della Pelle; Dario Compagnone

    2018-01-01

    Polyphenolic compounds (PCs) have received exceptional attention at the end of the past millennium and as much at the beginning of the new one. Undoubtedly, these compounds in foodstuffs provide added value for their well-known health benefits, for their technological role and also marketing. Many efforts have been made to provide simple, effective and user friendly analytical methods for the determination and antioxidant capacity (AOC) evaluation of food polyphenols. In a parallel track, ove...

  11. Unknown Risks: Parental Hesitation about Vaccination.

    Science.gov (United States)

    Blaisdell, Laura L; Gutheil, Caitlin; Hootsmans, Norbert A M; Han, Paul K J

    2016-05-01

    This qualitative study of a select sample of vaccine-hesitant parents (VHPs) explores perceived and constructed personal judgments about the risks and uncertainties associated with vaccines and vaccine-preventable diseases (VPDs) and how these subjective risk judgments influence parents' decisions about childhood vaccination. The study employed semistructured focus group interviews with 42 VHPs to elicit parents' perceptions and thought processes regarding the risks associated with vaccination and nonvaccination, the sources of these perceptions, and their approach to decision making about vaccination for their children. VHPs engage in various reasoning processes and tend to perceive risks of vaccination as greater than the risks of VPDs. At the same time, VHPs engage in other reasoning processes that lead them to perceive ambiguity in information about the harms of vaccination-citing concerns about the missing, conflicting, changing, or otherwise unreliable nature of information. VHPs' refusal of vaccination may reflect their aversion to both the risk and ambiguity they perceive to be associated with vaccination. Mitigating this vaccine hesitancy likely requires reconstructing the risks and ambiguities associated with vaccination-a challenging task that requires providing parents with meaningful evidence-based information on the known risks of vaccination versus VPDs and explicitly acknowledging the risks that remain truly unknown. © The Author(s) 2015.

  12. Quantum circuits cannot control unknown operations

    International Nuclear Information System (INIS)

    Araújo, Mateus; Feix, Adrien; Costa, Fabio; Brukner, Časlav

    2014-01-01

    One of the essential building blocks of classical computer programs is the ‘if’ clause, which executes a subroutine depending on the value of a control variable. Similarly, several quantum algorithms rely on applying a unitary operation conditioned on the state of a control system. Here we show that this control cannot be performed by a quantum circuit if the unitary is completely unknown. The task remains impossible even if we allow the control to be done modulo a global phase. However, this no-go theorem does not prevent implementing quantum control of unknown unitaries in practice, as any physical implementation of an unknown unitary provides additional information that makes the control possible. We then argue that one should extend the quantum circuit formalism to capture this possibility in a straightforward way. This is done by allowing unknown unitaries to be applied to subspaces and not only to subsystems. (paper)

  13. Multifocal, chronic osteomyelitis of unknown etiology

    International Nuclear Information System (INIS)

    Kozlowski, K.; Beluffi, G.; Feltham, C.; James, M.; Nespoli, L.; Tamaela, L.; Pavia Univ.; Municipal Hospital, Nelson; Medical School, Jakarta

    1985-01-01

    Four cases of multifocal osteomyelitis of unknown origin in childhood are reported. The variable clinical and radiographic appearances of the disease are illustrated and the diagnostic difficulties in the early stages of the disease are stressed. (orig.) [de

  14. Known Unknowns in Judgment and Choice

    OpenAIRE

    Walters, Daniel

    2017-01-01

    This dissertation investigates how people make inferences about missing information. Whereas most prior literature focuses on how people process known information, I show that the extent to which people make inferences about missing information impacts judgments and choices. Specifically, I investigate how (1) awareness of known unknowns affects overconfidence in judgment in Chapter 1, (2) beliefs about the knowability of unknowns impacts investment strategies in Chapter 2, and (3) inferences...

  15. Mobile assistant for unknown caller identification

    OpenAIRE

    Hribernik, Andraž

    2012-01-01

    The main motivation of this diploma thesis is a development of Android application, which helps user of application to find out who is the owner of unknown phone number. Data source for finding unknown phone number are free available web sources. Through the development of prototype, data from different web sources were integrated. Result of this integration is shown in Android application. Data integration includes access to semi-structured data on web portal of Phone Directory of Slovenia, ...

  16. DETERMINATION OF PHASE COMPOSITION OF SEALING COATING BASED ON APC (ALUMINOPHOSPHATE COMPOUNDS

    Directory of Open Access Journals (Sweden)

    BOLSHAKOV V. I.

    2017-02-01

    Full Text Available Summary. Goal. To investigate the phase composition of the obtained sealing coatings based on aluminophosphate compound (APC and the impact of temperature rise on it. Methods. Qualitative X-ray phase analysis (XRPA and differential thermal analysis (DTA are used as the methods of research. Roentgenograms for structural analysis were obtained on a DRON-4-07 using filtered copper radiation in the secondary beam. Registration and initial processing of diffraction patterns was performed using the software package PDOS with the output of the diffraction patterns on the screen. Using the "loupe" option allowed to identify weak interference lines, which increased the accuracy of the method of qualitative XRPA. The thermograms for DTA received on the device type Termoskan-2. The results. It is revealed that base of coating is X-ray amorphous phase. There are following crystalline phases: Al, AlPO4, Al (PO3 3, BN found in the coating. It is revealed that annealing doesn’t make a significant influence on the phase composition of the crystalline phases and the coating doesn’t lose properties after annealing during repeated thermal stress. Scientific novelty. The phase composition of the proposed sealing coatings based on APC and produced by plasma spraying, and the effect of annealing on the phase composition of the coating are investigated. The reaction of synthesis of primary material forming on the basis of APC for coating is offered. Practical significance. The results can be used in aviation technology in the development of gas turbine engines (GTE and the design of the compressors. The sealing coating may be used to improve the reliability of the compressor and to increase the efficiency ratio of turbine engine. During the operation the compressor’s blades touch the sealing coating of compressor’s stator and grooves it without causing locking and destruction of the rotor. Therefore, the development of new sealing coating compositions that

  17. Investigation of chronic efficacy and safety profile of two potential anti-inflammatory bipyrazole-based compounds in experimental animals

    Directory of Open Access Journals (Sweden)

    Domiati S

    2018-04-01

    Full Text Available Souraya Domiati,1 Mohammed Mehanna,2,3 Hanan Ragab,4 Hania Nakkash Chmaisse,1 Ahmed El Mallah5 1Department of Pharmacology and Therapeutics, Faculty of Pharmacy, Beirut Arab University, Beirut, Lebanon; 2Department of Pharmaceutical Technology, Faculty of Pharmacy, Beirut Arab University, Beirut, Lebanon; 3Department of Industrial Pharmacy, Faculty of Pharmacy, Alexandria University, Alexandria, Egypt; 4Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Alexandria University, Alexandria, Egypt; 5Department of Pharmacology, Faculty of Pharmacy, Alexandria University, Alexandria, Egypt Purpose: Although nonsteroidal anti-inflammatory drugs are widely used to treat a variety of disorders, their administration is associated with gastrointestinal side effects, acute kidney injury and liver enzymes’ elevation. Accordingly, researchers are encouraged to create novel agents with better safety profile. The aim of the current study was to evaluate the chronic efficacy and safety profile of two compounds previously proven to have acceptable acute anti-inflammatory and analgesic activities.Materials and methods: Doses were determined through formalin-induced mice paw edema-based dose–response curves. Granuloma weight was used to assess the chronic effect of the investigated compounds as compared to the vehicle and diclofenac representing the positive and the negative controls, respectively. Mice kidneys, livers and stomachs were histologically examined. Moreover, troponin I, alanine aminotransferase, aspartate aminotransferase, serum creatinine and blood urea nitrogen levels were measured. Results: The results highlight that the granulomas and exudates developed in mice after 7 days of treatment, with compound I and compound II were significantly lower than that of the negative control group. Moreover, compound I showed significantly better anti-inflammatory effect than diclofenac. Troponin level was undetected in all groups. Histopathological

  18. Synthetic structural and biochemical studies of coordination compounds of Bismuth (III) with Schiff bases of sulpha drugs

    International Nuclear Information System (INIS)

    Khan, Shahina; Gupta, M.K.; Varshney, S; Varshney, A.K.

    2006-01-01

    The reactions of Bismuth trichloride with Schiff's bases derived from sulpha drugs in 1:1 molar ratio leads to the formation of a new series of coordination compound of Bismuth (III). Their structures have been confirmed on the basis of elemental analysis, ultraviolet, infrared and multinuclear magnetic resonance (1H 13C) spectral studies. The antimicrobial activities of the ligands and their coordination compound have been screened in vitro against the organism Escherichia coli, Stuplhylococus crureus, Prouteus mirabilis, Bacillus thuren giensis, penicilliurn cf.vsogenum, Aspergillns raiger and Fusarium Oxysporum. (author)

  19. Human neuron-astrocyte 3D co-culture-based assay for evaluation of neuroprotective compounds.

    Science.gov (United States)

    Terrasso, Ana Paula; Silva, Ana Carina; Filipe, Augusto; Pedroso, Pedro; Ferreira, Ana Lúcia; Alves, Paula Marques; Brito, Catarina

    Central nervous system drug development has registered high attrition rates, mainly due to the lack of efficacy of drug candidates, highlighting the low reliability of the models used in early-stage drug development and the need for new in vitro human cell-based models and assays to accurately identify and validate drug candidates. 3D human cell models can include different tissue cell types and represent the spatiotemporal context of the original tissue (co-cultures), allowing the establishment of biologically-relevant cell-cell and cell-extracellular matrix interactions. Nevertheless, exploitation of these 3D models for neuroprotection assessment has been limited due to the lack of data to validate such 3D co-culture approaches. In this work we combined a 3D human neuron-astrocyte co-culture with a cell viability endpoint for the implementation of a novel in vitro neuroprotection assay, over an oxidative insult. Neuroprotection assay robustness and specificity, and the applicability of Presto Blue, MTT and CytoTox-Glo viability assays to the 3D co-culture were evaluated. Presto Blue was the adequate endpoint as it is non-destructive and is a simpler and reliable assay. Semi-automation of the cell viability endpoint was performed, indicating that the assay setup is amenable to be transferred to automated screening platforms. Finally, the neuroprotection assay setup was applied to a series of 36 test compounds and several candidates with higher neuroprotective effect than the positive control, Idebenone, were identified. The robustness and simplicity of the implemented neuroprotection assay with the cell viability endpoint enables the use of more complex and reliable 3D in vitro cell models to identify and validate drug candidates. Copyright © 2016 Elsevier Inc. All rights reserved.

  20. Protective Effects of Butyrate-based Compounds on a Mouse Model for Spinal Muscular Atrophy

    Science.gov (United States)

    Butchbach, Matthew E. R.; Lumpkin, Casey J.; Harris, Ashlee W.; Saieva, Luciano; Edwards, Jonathan D.; Workman, Eileen; Simard, Louise R.; Pellizzoni, Livio; Burghes, Arthur H. M.

    2016-01-01

    Proximal spinal muscular atrophy (SMA) is a childhood-onset degenerative disease resulting from the selective loss of motor neurons in the spinal cord. SMA is caused by the loss of SMN1 (survival motor neuron 1) but retention of SMN2. The number of copies of SMN2 modifies disease severity in SMA patients as well as in mouse models, making SMN2 a target for therapeutics development. Sodium butyrate (BA) and its analogue (4PBA) have been shown to increase SMN2 expression in SMA cultured cells. In this study, we examined the effects of BA, 4PBA as well as two BA prodrugs—glyceryl tributyrate (BA3G) and VX563—on the phenotype of SMNΔ7 SMA mice. Treatment with 4PBA, BA3G and VX563 but not BA beginning at PND04 significantly improved the lifespan and delayed disease end stage, with administration of VX563 also improving the growth rate of these mice. 4PBA and VX563 improved the motor phenotype of SMNΔ7 SMA mice and prevented spinal motor neuron loss. Interestingly, neither 4PBA nor VX563 had an effect on SMN expression in the spinal cords of treated SMNΔ7 SMA mice; however, they inhibited histone deacetylase (HDAC) activity and restored the normal phosphorylation states of Akt and glycogen synthase kinase 3β, both of which are altered by SMN deficiency in vivo. These observations show that BA-based compounds with favourable pharmacokinetics ameliorate SMA pathology possibly by modulating HDAC and Akt signaling. PMID:26892876

  1. Single phase in Ba-dopped Bi-based high-T/sub c/ compound

    International Nuclear Information System (INIS)

    Rehman, M.A.; Maqsood, A.

    2001-01-01

    Ba-doped, Bi-based, high-Tc superconductor was prepared by a solid state reaction method. The nominal composition used was Bi/sub 1.6/Pb/sub 0.4/Sr/sub 1.6/Ba/sub 0.4/Ca/sub 2/Cu/sub 3/O/sub y/. The samples were characterized by dc electrical resistivity and ac magnetic susceptibility both as a function of temperature (T). Room temperature x-ray diffraction studies were also done. Binder chemicals do affect the properties of the samples and it was observed that samples prepared with polyvinyl alcohol binder chemical showed good reproducible results. All the Above measurements showed that in the compound Bi/sub 1.6/Pb/sub 0.4/Ca/sub 2/Cu/sub 3/O/sub y/ there exists a single high-T/sub c/ phase with T/sub c.0≅/109 plus minus 1K. It behaves like an ideal metal before the superconducting transition in ρ-T plot and the Mathiessen's rule could be fitted. The ac susceptibility measurements support the observations of electrical resistivity. The lattice constants of the material are a=5.416(7) degree A, b=5.455(6) degree A, and c=37.26(8) degree A. The c-axis lattice constant slightly increased with Ba-doping. This fact indicated that Ba was probably incorporated into the Sr site of the crystal structure. Large sized samples (Diameter '28mm and length' 11mm) are under investigation for thermal transport properties by transient Plane Source (TPS) method. (author)

  2. Comparison of confirmed inactive and randomly selected compounds as negative training examples in support vector machine-based virtual screening.

    Science.gov (United States)

    Heikamp, Kathrin; Bajorath, Jürgen

    2013-07-22

    The choice of negative training data for machine learning is a little explored issue in chemoinformatics. In this study, the influence of alternative sets of negative training data and different background databases on support vector machine (SVM) modeling and virtual screening has been investigated. Target-directed SVM models have been derived on the basis of differently composed training sets containing confirmed inactive molecules or randomly selected database compounds as negative training instances. These models were then applied to search background databases consisting of biological screening data or randomly assembled compounds for available hits. Negative training data were found to systematically influence compound recall in virtual screening. In addition, different background databases had a strong influence on the search results. Our findings also indicated that typical benchmark settings lead to an overestimation of SVM-based virtual screening performance compared to search conditions that are more relevant for practical applications.

  3. Solid-phase extraction element based on epoxy polymer monolith for determination of polar organic compounds in aqueous media.

    Science.gov (United States)

    Takahashi, Tadashi; Odagiri, Kayo; Watanabe, Atsushi; Watanabe, Chuichi; Kubo, Takuya; Hosoya, Ken

    2011-10-01

    A solid-phase extraction element based on epoxy polymer monolith was fabricated for sorptive enrichment of polar compounds from liquid and gaseous samples. After ultrasonication of the element in an aqueous solution for a given period of time, the thermal desorption (TD) using a pyrolyzer with gas chromatography/mass spectrometry (GC/MS), in which TD temperature was programmed from 50 to 250 °C for the analytes absorbed in the element, was used to evaluate the element for basic extraction performance using the aqueous standard mixtures consisting of compounds having varied polarities such as hexanol, isoamyl acetate, linalool, furfural and decanoic acid, in concentrations ranging from 10 μg/L to 1 mg/L. Excellent linear relationships were observed for all compounds in the standard mixture, except decanoic acid. In the extraction of beverages such as red wine, the extraction element showed stronger adsorption characteristics for polar compounds such as alcohols and acids than a non-polar polydimethylsiloxane-based element. This feature is derived from the main polymer structure along with hydroxyl and amino groups present in the epoxy-based monolith polymer matrix. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. New Linear Partitioning Models Based on Experimental Water: Supercritical CO2 Partitioning Data of Selected Organic Compounds.

    Science.gov (United States)

    Burant, Aniela; Thompson, Christopher; Lowry, Gregory V; Karamalidis, Athanasios K

    2016-05-17

    Partitioning coefficients of organic compounds between water and supercritical CO2 (sc-CO2) are necessary to assess the risk of migration of these chemicals from subsurface CO2 storage sites. Despite the large number of potential organic contaminants, the current data set of published water-sc-CO2 partitioning coefficients is very limited. Here, the partitioning coefficients of thiophene, pyrrole, and anisole were measured in situ over a range of temperatures and pressures using a novel pressurized batch-reactor system with dual spectroscopic detectors: a near-infrared spectrometer for measuring the organic analyte in the CO2 phase and a UV detector for quantifying the analyte in the aqueous phase. Our measured partitioning coefficients followed expected trends based on volatility and aqueous solubility. The partitioning coefficients and literature data were then used to update a published poly parameter linear free-energy relationship and to develop five new linear free-energy relationships for predicting water-sc-CO2 partitioning coefficients. A total of four of the models targeted a single class of organic compounds. Unlike models that utilize Abraham solvation parameters, the new relationships use vapor pressure and aqueous solubility of the organic compound at 25 °C and CO2 density to predict partitioning coefficients over a range of temperature and pressure conditions. The compound class models provide better estimates of partitioning behavior for compounds in that class than does the model built for the entire data set.

  5. Powder metallurgical processing of magnetostrictive materials based on rare earth-iron intermetallic compounds

    International Nuclear Information System (INIS)

    Malekzadeh, M.

    1978-01-01

    Procedures are described for fabrication of high density rare earth-iron magnetostrictive compounds by powder metallurgical techniques. The fabrication involves a sequence of steps which includes preparing the pre-alloyed compounds, pulverizing them into a fine powder, compacting in suitable sizes and shapes, and sintering. Samples prepared by these procedures are carefully characterized by scanning electron microscopy, x-ray diffraction, dilatometry, and magnetic measurements. Process steps are found to exert important influences upon densities, microstructure and magnetic properties attained after densification. Investigations on a number of these process steps, including milling time and medium, sintering, and magnetic powder alignment are described

  6. High-Throughput Screening of Chemical Compound Libraries for Modulators of Salicylic Acid Signaling by In Situ Monitoring of Glucuronidase-Based Reporter Gene Expression.

    Science.gov (United States)

    Halder, Vivek; Kombrink, Erich

    2018-01-01

    Salicylic acid (SA) is a vital phytohormone that is intimately involved in coordination of the complex plant defense response to pathogen attack. Many aspects of SA signaling have been unraveled by classical genetic and biochemical methods using the model plant Arabidopsis thaliana, but many details remain unknown, owing to the inherent limitations of these methods. In recent years, chemical genetics has emerged as an alternative scientific strategy to complement classical genetics by virtue of identifying bioactive chemicals or probes that act selectively on their protein targets causing either activation or inhibition. Such selective tools have the potential to create conditional and reversible chemical mutant phenotypes that may be combined with genetic mutants. Here, we describe a facile chemical screening methodology for intact Arabidopsis seedlings harboring the β-glucuronidase (GUS) reporter by directly quantifying GUS activity in situ with 4-methylumbelliferyl-β-D-glucuronide (4-MUG) as substrate. The quantitative nature of this screening assay has an obvious advantage over the also convenient histochemical GUS staining method, as it allows application of statistical procedures and unbiased hit selection based on threshold values as well as distinction between compounds with strong or weak bioactivity. We show pilot screens for chemical activators or inhibitors of salicylic acid-mediated defense signaling using the Arabidopsis line expressing the SA-inducible PR1p::GUS reporter gene. Importantly, the screening methodology provided here can be adopted for any inducible GUS reporter line.

  7. Stress-based viscoelastic master curve construction of model tire tread compounds

    NARCIS (Netherlands)

    Maghami, S.; Dierkes, W.; Noordermeer, J.W.M.; Tolpekina, T.; Schultz, S.; Gögelein, C.; Wrana, C.; Gil-Negrete, Nere; Asier, Alonso

    2013-01-01

    One of the important aspects in the development of new tire compounds is the correlation between the dynamic mechanical properties of the rubber, measured on laboratory scale, and the actual tire performance. In order to predict wet traction, the viscoelastic behavior of the rubber materials at high

  8. Crystal structures and luminescence of two cadmium-carboxylate cluster-based compounds with mixed ligands

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Hui-Fang; Lei, Qian; Wang, Yu-Ling; Yin, Shun-Gao; Liu, Qing-Yan [College of Chemistry and Chemical Engineering and Key Lab. of Functional Small Organic Molecule of Ministry of Education, Jiangxi Normal Univ., Nanchang (China)

    2017-04-04

    Reactions of Cd(NO{sub 3}){sub 2}.4H{sub 2}O with 2-quinolinecarboxylic acid (H-QLC) in the presence of 1,4-benzenedicarboxylic acid (H{sub 2}-BDC) or 1,3,5-benzenetricarboxylic acid (H-BTC) in DMF/H{sub 2}O solvent afforded two compounds, namely, [Cd(QLC)(BDC){sub 1/2}(H{sub 2}O)]{sub n} (1) and [Cd(QLC)(BTC){sub 1/3}]{sub n} (2). Both compounds are two-dimensional (2D) frameworks but feature different cadmium-carboxylate clusters as a result of the presence of the polycarboxylate ligands with different geometries and coordination preference. The dinuclear Cd{sub 2}(QLC){sub 2} units in 1 are bridged by the pairs of bridging water ligands to give a one-dimensional (1D) chain, which is further linked by the second ligand of BDC{sup 2-} to form a 2D structure. Compound 2 is constructed from unique hexanuclear macrometallacyclic Cd{sub 6}(QLC){sub 6} clusters, which are linked by the surrounding BTC{sup 3-} ligands to generate a 2D structure. Photoluminescence studies showed both compounds exhibit ligand-centered luminescent emissions with emission maxima at 405 and 401 nm, respectively. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Assessment of rosehips based on the content of their biologically active compounds

    Czech Academy of Sciences Publication Activity Database

    Bhave, A.; Schulzová, V.; Chmelařová, H.; Mrnka, Libor; Hajslová, J.

    2017-01-01

    Roč. 25, č. 2 (2017), s. 681-690 ISSN 1021-9498 R&D Projects: GA TA ČR TE01020080 Institutional support: RVO:67985939 Keywords : rosehips * bioactive compounds * antioxidative activity Subject RIV: EF - Botanics OBOR OECD: Plant sciences, botany Impact factor: 3.048, year: 2016

  10. Parameters identification of the compound cage rotor induction machine based on linearized Kalman filtering

    Institute of Scientific and Technical Information of China (English)

    王铁成; 李伟力; 孙建伟

    2003-01-01

    A mathematical model has been built up for compound cage rotor induction machine with the rotor re-sistance and leakage inductance in the model identified through Kalman filtering method. Using the identifiedparameters, simulation studies are performed, and simulation results are compared with testing results.

  11. Inclusion Compound Based Approach to Arrays of Artificial Dipolar Molecular Rotors: Bulk Inclusions

    Czech Academy of Sciences Publication Activity Database

    Kobr, L.; Zhao, K.; Shen, Y.; Polívková, Kateřina; Shoemaker, R. K.; Clark, N.A.; Price, J. C.; Rogers, C. T.; Michl, Josef

    2013-01-01

    Roč. 78, č. 5 (2013), s. 1768-1777 ISSN 0022-3263 EU Projects: European Commission(XE) 227756 - DIPOLAR ROTOR ARRAY Institutional support: RVO:61388963 Keywords : solid-state dynamics * phosphonitrilic compounds * aromatic nanochannels * triethylamine Subject RIV: CC - Organic Chemistry Impact factor: 4.638, year: 2013

  12. Atomic and molecular physics of plasma-based environmental technologies for abatement of volatile organic compounds

    International Nuclear Information System (INIS)

    Penetrante, B. M.; Hsiao, M. C.; Bardsley, J. N.; Merritt, B. T.; Vogtin, G. E.; Kuthi, A.; Burkhart, C. P.; Bayless, J. R.

    1997-01-01

    Non-thermal plasma techniques represent a new generation of air emission control technology that potentially could treat large-volume emissions containing dilute concentrations of volatile organic compounds. In order to apply non-thermal plasmas in an industrial scale, it is important to establish the electrical power requirements and byproducts of the process.There is a need for reliable data concerning the primary decomposition mechanisms and subsequent chemical kinetics associated with non- thermal plasma processing of volatile organic compounds. There are many basic atomic and molecular physics issues that are essential in evaluating the economic performance of non-thermal plasma reactors. These studies are important in understanding how the input electrical power is dissipated in the plasma and how efficiently it is converted to the production of the plasma species (radicals, ions or electrons) responsible for the decomposition of the volatile organic compounds. This paper will present results from basic experimental and theoretical studies aimed at identifying the reaction mechanisms responsible for the primary decomposition of various types of volatile organic compounds. (authors)

  13. Cell death effects of resin-based dental material compounds and mercurials in human gingival fibroblasts

    Energy Technology Data Exchange (ETDEWEB)

    Reichl, Franz-Xaver [Walther-Straub-Institute of Pharmacology and Toxicology, Munich (Germany); Ludwig-Maximilians-University, Department of Operative Dentistry and Periodontology, Munich (Germany); Esters, Magali; Simon, Sabine; Seiss, Mario [Walther-Straub-Institute of Pharmacology and Toxicology, Munich (Germany); Kehe, Kai [Bundeswehr Institute of Pharmacology and Toxicology, Munich (Germany); Kleinsasser, Norbert [University of Regensburg, Head and Neck Surgery, Department of Otolaryngology, Regensburg (Germany); Folwaczny, Matthias; Glas, Juergen; Hickel, Reinhard [Ludwig-Maximilians-University, Department of Operative Dentistry and Periodontology, Munich (Germany)

    2006-06-15

    In order to test the hypothesis that released dental restorative materials can reach toxic levels in human oral tissues, the cytotoxicities of the resin-based dental (co)monomers hydroxyethylmethacrylate (HEMA), triethyleneglycoldimethacrylate (TEGDMA), urethanedimethacrylate (UDMA), and bisglycidylmethacrylate (BisGMA) compared with methyl mercury chloride (MeHgCl) and the amalgam component mercuric chloride (HgCl{sub 2}) were investigated on human gingival fibroblasts (HGF) using two different test systems: (1) the modified XTT-test and (2) the modified H 33342 staining assay. The HGF were exposed to various concentrations of the test-substances in all test systems for 24 h. All tested (co)monomers and mercury compounds significantly (P<0.05) decreased the formazan formation in the XTT-test. EC{sub 50} values in the XTT assay were obtained as half-maximum-effect concentrations from fitted curves. Following EC{sub 50} values were found (mean [mmol/l]; s.e.m. in parentheses; n=12; * significantly different to HEMA): HEMA 11.530 (0.600); TEGDMA* 3.460 (0.200); UDMA* 0.106 (0.005); BisGMA* 0.087 (0.001); HgCl{sub 2}* 0.013 (0.001); MeHgCl* 0.005 (0.001). Following relative toxicities were found: HEMA 1; TEGDMA 3; UDMA 109; BisGMA 133; HgCl{sub 2} 887; MeHgCl 2306. A significant (P<0.05) increase of the toxicity of (co)monomers and mercurials was found in the XTT-test in the following order: HEMA < TEGDMA < UDMA < BisGMA < HgCl{sub 2} < MeHgCl. TEGDMA and MeHgCl induced mainly apoptotic cell death. HEMA, UDMA, BisGMA, and HgCl{sub 2} induced mainly necrotic cell death. The results of this study indicate that resin composite components have a lower toxicity than mercury from amalgam in HGF. HEMA, BisGMA, UDMA, and HgCl{sub 2} induced mainly necrosis, but it is rather unlikely that eluted substances (solely) can reach concentrations, which might induce necrotic cell death in the human physiological situation, indicating that other (additional) factors may be involved in

  14. Protocol for counterfactually transporting an unknown qubit

    Directory of Open Access Journals (Sweden)

    Hatim eSalih

    2016-01-01

    Full Text Available Quantum teleportation circumvents the uncertainty principle using dual channels: a quantum one consisting of previously-shared entanglement, and a classical one, together allowing the disembodied transport of an unknown quantum state over distance. It has recently been shown that a classical bit can be counterfactually communicated between two parties in empty space, Alice and Bob. Here, by using our dual version of the chained quantum Zeno effect to achieve a counterfactual CNOT gate, we propose a protocol for transporting an unknown qubit counterfactually, that is without any physical particles travelling between Alice and Bob—no classical channel and no previously-shared entanglement.

  15. Fault tolerant control of wind turbines using unknown input observers

    DEFF Research Database (Denmark)

    Odgaard, Peter Fogh; Stoustrup, Jakob

    2012-01-01

    This paper presents a scheme for accommodating faults in the rotor and generator speed sensors in a wind turbine. These measured values are important both for the wind turbine controller as well as the supervisory control of the wind turbine. The scheme is based on unknown input observers, which...

  16. Inventory control in case of unknown demand and control parameters

    NARCIS (Netherlands)

    Janssen, E.

    2010-01-01

    This thesis deals with unknown demand and control parameters in inventory control. Inventory control involves decisions on what to order when and in what quantity. These decisions are based on information about the demand. Models are constructed using complete demand information; these models ensure

  17. Teleportation of Unknown Superpositions of Collective Atomic Coherent States

    Institute of Scientific and Technical Information of China (English)

    ZHENG ShiBiao

    2001-01-01

    We propose a scheme to teleport an unknown superposition of two atomic coherent states with different phases. Our scheme is based on resonant and dispersive atom-field interaction. Our scheme provides a possibility of teleporting macroscopic superposition states of many atoms first time.``

  18. A role for fragment-based drug design in developing novel lead compounds for central nervous system targets

    Directory of Open Access Journals (Sweden)

    Michael J. Wasko

    2015-09-01

    Full Text Available Hundreds of millions of U.S. dollars are invested in the research and development of a single drug. Lead compound development is an area ripe for new design strategies. Therapeutic lead candidates have been traditionally found using high-throughput in vitro pharmacologic screening, a costly method for assaying thousands of compounds. This approach has recently been augmented by virtual screening, which employs computer models of the target protein to narrow the search for possible leads. A variant of virtual screening is fragment-based drug design, an emerging in silico lead discovery method that introduces low molecular weight fragments, rather than intact compounds, into the binding pocket of the receptor model. These fragments serve as starting points for growing the lead candidate. Current efforts in virtual fragment-based drug design within central nervous system (CNS targets are reviewed, as is a recent rule-based optimization strategy in which new molecules are generated within a 3D receptor binding pocket using the fragment as a scaffold. This process places special emphasis on creating synthesizable molecules but also exposes computational questions worth addressing. Fragment-based methods provide a viable, relatively low-cost alternative for therapeutic lead discovery and optimization that can be applied to CNS targets to augment current design strategies.

  19. Segmentation-driven compound document coding based on H.264/AVC-INTRA.

    Science.gov (United States)

    Zaghetto, Alexandre; de Queiroz, Ricardo L

    2007-07-01

    In this paper, we explore H.264/AVC operating in intraframe mode to compress a mixed image, i.e., composed of text, graphics, and pictures. Even though mixed contents (compound) documents usually require the use of multiple compressors, we apply a single compressor for both text and pictures. For that, distortion is taken into account differently between text and picture regions. Our approach is to use a segmentation-driven adaptation strategy to change the H.264/AVC quantization parameter on a macroblock by macroblock basis, i.e., we deviate bits from pictorial regions to text in order to keep text edges sharp. We show results of a segmentation driven quantizer adaptation method applied to compress documents. Our reconstructed images have better text sharpness compared to straight unadapted coding, at negligible visual losses on pictorial regions. Our results also highlight the fact that H.264/AVC-INTRA outperforms coders such as JPEG-2000 as a single coder for compound images.

  20. Target tracking system based on preliminary and precise two-stage compound cameras

    Science.gov (United States)

    Shen, Yiyan; Hu, Ruolan; She, Jun; Luo, Yiming; Zhou, Jie

    2018-02-01

    Early detection of goals and high-precision of target tracking is two important performance indicators which need to be balanced in actual target search tracking system. This paper proposed a target tracking system with preliminary and precise two - stage compound. This system using a large field of view to achieve the target search. After the target was searched and confirmed, switch into a small field of view for two field of view target tracking. In this system, an appropriate filed switching strategy is the key to achieve tracking. At the same time, two groups PID parameters are add into the system to reduce tracking error. This combination way with preliminary and precise two-stage compound can extend the scope of the target and improve the target tracking accuracy and this method has practical value.

  1. Experimental transmission electron microscopy studies and phenomenological model of bismuth-based superconducting compounds

    International Nuclear Information System (INIS)

    Elboussiri, Khalid

    1991-01-01

    The main part of this thesis is devoted to an experimental study by transmission electron microscopy of the different phases of the superconducting bismuth cuprates Bi_2Sr_2Ca_n_-_1Cu_nO_2_n_+_4. In high resolution electron microscopy, the two types of incommensurate modulation realized in these compounds have been observed. A model of structure has been proposed from which the simulated images obtained are consistent with observations. The medium resolution images correlated with the electron diffraction data have revealed existence of a multi-soliton regime with latent lock in phases of commensurate periods between 4b and 10b. At last, a description of different phases of these compounds as a result of superstructures from a disordered perovskite type structure is proposed (author) [fr

  2. Analysis of “Favorable Growth Element” Based on Rare Earth-aluminum Composite Mechanism of Compound Process

    Science.gov (United States)

    Hao, Baohong; Zeng, Qihui; Zhao, Jin

    2018-01-01

    Under the background that failure resulted in by high temperature once only aluminum oxide is used as the gasoline additive. This paper, with the purpose to solve this problem, is to synthesize AcAl oxide for gasoline additive. In order to get the rare-earth-aluminum oxide, first, a complex model of rare earth oxide based on theories about ion coordination is established. Then, by the complex model, the type of “compound growth unit” when rare earth elements join the hydrothermal conditions and the inclination that “diversification” might probably happen are deduced. Depending on the results got by complex model, this paper introduces the type of compound and its existence conditions of “Compound growth unit” owned by stable rare-earth-aluminum oxide. By adjusting the compositions of modifier, compound materials of rare earth-aluminum oxide used for gasoline additive is made. By XRD test, aperture test, adsorption test and desorption test, the theoretical deduction is proved to be right. From the experiment, it is concluded that: a dense environment is the pre-condition to form rare-earth-aluminum polymer, which is also an essential condition for the polymer to update to a favorable growth unit and produce mesoporous rare-earth-aluminum oxide with high activity.

  3. In vitro bioaccessibility, transepithelial transport and antioxidant activity of Urtica dioica L. phenolic compounds in nettle based food products.

    Science.gov (United States)

    Bonetti, Gianpiero; Tedeschi, Paola; Meca, Giuseppe; Bertelli, Davide; Mañes, Jordi; Brandolini, Vincenzo; Maietti, Annalisa

    2016-10-12

    Nettle (Urtica dioica L.) is a well-known plant with a wide historical background use of stems, roots and leaves. Nettle leaves are an excellent source of phenolic compounds, principally 3-caffeoylquinic acid (3-CQA), caffeoylmalic acid (CMA) and rutin. The aim of this work was to evaluate the bioaccessibility (BAC), the bioavailability (BAV) and the antioxidant activity of nettle phenolic compounds present in foods and supplements. The BAC of nettle phenolics was evaluated with an in vitro dynamic digestion of real food matrices: the type of food matrix and chemical characteristic affected the kinetics of release and solubilization, with the highest BAC after duodenal digestion. A study of duodenal trans epithelial transport evidenced low bioavailability of native forms of 3-CQA, CMA and rutin. Simulation of colonic metabolism confirmed that phenolic compounds are fermented by gut microflora, confirming the need for further investigations on the impact of phenolic compounds at the large intestine level. Photochemiluminescence assay of the simulated digestion fluids demonstrated that ingestion of Urtica based foods contributes to create an antioxidant environment against superoxide anion radicals in the entire gastrointestinal tract (GIT).

  4. Two stages of Kondo effect and competition between RKKY and Kondo in Gd-based intermetallic compound

    Energy Technology Data Exchange (ETDEWEB)

    Vaezzadeh, Mehdi [Department of Physics, K.N.Toosi University of Technology, P.O. Box 15875-4416, Tehran (Iran, Islamic Republic of)]. E-mail: mehdi@kntu.ac.ir; Yazdani, Ahmad [Tarbiat Modares University, P.O. Box 14155-4838, Tehran (Iran, Islamic Republic of); Vaezzadeh, Majid [Department of Physics, K.N.Toosi University of Technology, P.O. Box 15875-4416, Tehran (Iran, Islamic Republic of); Daneshmand, Gissoo [Department of Physics, K.N.Toosi University of Technology, P.O. Box 15875-4416, Tehran (Iran, Islamic Republic of); Kanzeghi, Ali [Department of Physics, K.N.Toosi University of Technology, P.O. Box 15875-4416, Tehran (Iran, Islamic Republic of)

    2006-05-01

    The magnetic behavior of Gd-based intermetallic compound (Gd{sub 2}Al{sub (1-x)}Au{sub x}) in the form of the powder and needle, is investigated. All the samples are an orthorhombic crystal structure. Only the compound with x=0.4 shows the Kondo effect (other compounds have a normal behavior). Although, for the compound in the form of powder, with x=0.4, the susceptibility measurement {chi}(T) shows two different stages. Moreover for (T>T{sub K2}) a fall of the value of {chi}(T) is observable, which indicates a weak presence of ferromagnetic phase. About the two stages of Kondo effect, we observe at the first (T{sub K1}) an increase of {chi}(T) and in the second stage (T{sub K2}) a new remarkable decrease of {chi}(T) (T{sub K1}>T{sub K2}). For the sample in the form of needles, the first stage is observable only under high magnetic field. This first stage could be corresponds to a narrow resonance between Kondo cloud and itinerant electron. The second stage, which is remarkably visible for the sample in the form of the powder, can be attribute to a complete polarization of Kondo cloud. Observation of these two Kondo stages could be due to the weak presence of RKKY contribution.

  5. Two stages of Kondo effect and competition between RKKY and Kondo in Gd-based intermetallic compound

    International Nuclear Information System (INIS)

    Vaezzadeh, Mehdi; Yazdani, Ahmad; Vaezzadeh, Majid; Daneshmand, Gissoo; Kanzeghi, Ali

    2006-01-01

    The magnetic behavior of Gd-based intermetallic compound (Gd 2 Al (1-x) Au x ) in the form of the powder and needle, is investigated. All the samples are an orthorhombic crystal structure. Only the compound with x=0.4 shows the Kondo effect (other compounds have a normal behavior). Although, for the compound in the form of powder, with x=0.4, the susceptibility measurement χ(T) shows two different stages. Moreover for (T>T K2 ) a fall of the value of χ(T) is observable, which indicates a weak presence of ferromagnetic phase. About the two stages of Kondo effect, we observe at the first (T K1 ) an increase of χ(T) and in the second stage (T K2 ) a new remarkable decrease of χ(T) (T K1 >T K2 ). For the sample in the form of needles, the first stage is observable only under high magnetic field. This first stage could be corresponds to a narrow resonance between Kondo cloud and itinerant electron. The second stage, which is remarkably visible for the sample in the form of the powder, can be attribute to a complete polarization of Kondo cloud. Observation of these two Kondo stages could be due to the weak presence of RKKY contribution

  6. Multifocal chronic osteomyelitis of unknown etiology

    International Nuclear Information System (INIS)

    Kozlowski, K.; Masel, J.; Harbison, S.; Yu, J.; Royal Brisbane Children Hospital; Regional Hospital Bowral

    1983-01-01

    Five cases of chronic, inflammatory, multifocal bone lesions of unknown etiology are reported. Although bone biopsy confirmed osteomyelitis in each case in none of them were organisms found inspite of an extensive work up. Different clinical course of the disease reflects different aetiology in respective cases. These cases present changing aspects of osteomyelitis emerging since introduction of antibiotics. (orig.)

  7. Simulating and optimizing compound refractive lens-based X-ray microscopes

    DEFF Research Database (Denmark)

    Simons, Hugh; Ahl, Sonja Rosenlund; Poulsen, Henning Friis

    2017-01-01

    A comprehensive optical description of compound refractive lenses (CRLs) in condensing and full-field X-ray microscopy applications is presented. The formalism extends ray-transfer matrix analysis by accounting for X-ray attenuation by the lens material. Closed analytical expressions for critical......-lens limit. This limit may be satisfied by a range of CRL geometries, suggesting alternative approaches to improving the resolution and efficiency of CRLs and X-ray microscopes....

  8. Reactor neutron converter into antineutrinos on base of lithium compounds and their solutions

    International Nuclear Information System (INIS)

    Lyutostanskij, Yu.S.; Lyashchuk, V.I.

    1990-01-01

    A study on the possibility of using various lithium compounds as substances for reactor neutron converter into antineutrinos, was made. It is concluded that heavy water LiOD, LiODxD 2 O, LiD solutions are the most promising ones. They provide for high efficiency with reduction of the required lithium mass (300-350 times maximum) as compared with pure lithium converter

  9. Gut Microbiota Profiling: Metabolomics Based Approach to Unravel Compounds Affecting Human Health.

    Science.gov (United States)

    Vernocchi, Pamela; Del Chierico, Federica; Putignani, Lorenza

    2016-01-01

    The gut microbiota is composed of a huge number of different bacteria, that produce a large amount of compounds playing a key role in microbe selection and in the construction of a metabolic signaling network. The microbial activities are affected by environmental stimuli leading to the generation of a wide number of compounds, that influence the host metabolome and human health. Indeed, metabolite profiles related to the gut microbiota can offer deep insights on the impact of lifestyle and dietary factors on chronic and acute diseases. Metagenomics, metaproteomics and metabolomics are some of the meta-omics approaches to study the modulation of the gut microbiota. Metabolomic research applied to biofluids allows to: define the metabolic profile; identify and quantify classes and compounds of interest; characterize small molecules produced by intestinal microbes; and define the biochemical pathways of metabolites. Mass spectrometry and nuclear magnetic resonance spectroscopy are the principal technologies applied to metabolomics in terms of coverage, sensitivity and quantification. Moreover, the use of biostatistics and mathematical approaches coupled with metabolomics play a key role in the extraction of biologically meaningful information from wide datasets. Metabolomic studies in gut microbiota-related research have increased, focusing on the generation of novel biomarkers, which could lead to the development of mechanistic hypotheses potentially applicable to the development of nutritional and personalized therapies.

  10. A Role for Fragment-Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets.

    Science.gov (United States)

    Wasko, Michael J; Pellegrene, Kendy A; Madura, Jeffry D; Surratt, Christopher K

    2015-01-01

    Hundreds of millions of U.S. dollars are invested in the research and development of a single drug. Lead compound development is an area ripe for new design strategies. Therapeutic lead candidates have been traditionally found using high-throughput in vitro pharmacological screening, a costly method for assaying thousands of compounds. This approach has recently been augmented by virtual screening (VS), which employs computer models of the target protein to narrow the search for possible leads. A variant of VS is fragment-based drug design (FBDD), an emerging in silico lead discovery method that introduces low-molecular weight fragments, rather than intact compounds, into the binding pocket of the receptor model. These fragments serve as starting points for "growing" the lead candidate. Current efforts in virtual FBDD within central nervous system (CNS) targets are reviewed, as is a recent rule-based optimization strategy in which new molecules are generated within a 3D receptor-binding pocket using the fragment as a scaffold. This process not only places special emphasis on creating synthesizable molecules but also exposes computational questions worth addressing. Fragment-based methods provide a viable, relatively low-cost alternative for therapeutic lead discovery and optimization that can be applied to CNS targets to augment current design strategies.

  11. Current status and bioanalytical challenges in the detection of unknown anabolic androgenic steroids in doping control analysis.

    Science.gov (United States)

    Pozo, Oscar J; De Brabanter, Nik; Fabregat, Andreu; Segura, Jordi; Ventura, Rosa; Van Eenoo, Peter; Deventer, Koen

    2013-11-01

    Androgenic anabolic steroids (AAS) are prohibited in sports due to their anabolic effects. Doping control laboratories usually face the screening of AAS misuse by target methods based on MS detection. Although these methods allow for the sensitive and specific detection of targeted compounds and metabolites, the rest remain undetectable. This fact opens a door for cheaters, since different AAS can be synthesized in order to evade doping control tests. This situation was evidenced in 2003 with the discovery of the designer steroid tetrahydrogestrinone. One decade after this discovery, the detection of unknown AAS still remains one of the main analytical challenges in the doping control field. In this manuscript, the current situation in the detection of unknown AAS is reviewed. Although important steps have been made in order to minimize this analytical problem and different analytical strategies have been proposed, there are still some drawbacks related to each approach.

  12. SEM-EDX analysis of an unknown "known" white powder found in a shipping container from Peru

    Science.gov (United States)

    Albright, Douglas C.

    2009-05-01

    In 2008, an unknown white powder was discovered spilled inside of a shipping container of whole kernel corn during an inspection by federal inspectors in the port of Baltimore, Maryland. The container was detained and quarantined while a sample of the powder was collected and sent to a federal laboratory where it was screened using chromatography for the presence of specific poisons and pesticides with negative results. Samples of the corn kernels and the white powder were forwarded to the Food and Drug Administration, Forensic Chemistry Center for further analysis. Stereoscopic Light Microscopy (SLM), Scanning Electron Microscopy/Energy Dispersive X-ray Spectrometry (SEM/EDX), and Polarized Light Microscopy/Infrared Spectroscopy (PLM-IR) were used in the analysis of the kernels and the unknown powder. Based on the unique particle analysis by SLM and SEM as well as the detection of the presence of aluminum and phosphorous by EDX, the unknown was determined to be consistent with reacted aluminum phosphide (AlP). While commonly known in the agricultural industry, aluminum phosphide is relatively unknown in the forensic community. A history of the use and acute toxicity of this compound along with some very unique SEM/EDX analysis characteristics of aluminum phosphide will be discussed.

  13. An Optimization of (Q,r Inventory Policy Based on Health Care Apparel Products with Compound Poisson Demands

    Directory of Open Access Journals (Sweden)

    An Pan

    2014-01-01

    Full Text Available Addressing the problems of a health care center which produces tailor-made clothes for specific people, the paper proposes a single product continuous review model and establishes an optimal policy for the center based on (Q,r control policy to minimize expected average cost on an order cycle. A generic mathematical model to compute cost on real-time inventory level is developed to generate optimal order quantity under stochastic stock variation. The customer demands are described as compound Poisson process. Comparisons on cost between optimization method and experience-based decision on Q are made through numerical studies conducted for the inventory system of the center.

  14. Lewis base catalyzed 1,3-dithiane addition to carbonyl and imino compounds using 2-trimethylsilyl-1,3-dithiane.

    Science.gov (United States)

    Michida, Makoto; Mukaiyama, Teruaki

    2008-09-01

    Lewis base-catalyzed 1,3-dithiane addition to electrophiles such as carbonyl compounds and N-substituted aldimines with 2-trimethylsilyl-1,3-dithiane (TMS-dithiane) is described. By the activation of the carbon-silicon bond in the presence of a Lewis base catalyst such as tetrabutylammonium phenoxide (PhONnBu(4)), a 1,3-dithiane addition reaction proceeded smoothly to afford the corresponding adducts in good to high yields under mild conditions. This synthesis is also applied to the reactions of ketones having alpha-protons, and of N-substituted aldimines.

  15. Synthesis, growth, and studies (crystal chemistry, magnetic chemistry) of actinide-based intermetallic compounds and alloys with a 1.1.1 stoichiometry

    International Nuclear Information System (INIS)

    Kergadallan, Yann

    1993-01-01

    The first part of this research thesis reports the study of the synthesis and reactivity of intermetallic compounds with a 1.1.1 stoichiometry. It presents the thermal properties of 1.1.1 compounds: general presentation of physical transitions, and of solid solutions and formation heat, application to actinides (reactivity analysis from phase diagrams, techniques of crystal synthesis and crystal growth. It describes experimental techniques: synthesis, determination of fusion temperature by dilatometry, methods used for crystal growth, characterisation techniques (metallography, X ray diffraction on powders, dilatometry). It discusses the obtained results in terms of characterisation of synthesised samples, of crystal growth, and of measurements of fusion temperature. The second part addresses crystal chemistry studies: structure of compounds with a 1.1.1 stoichiometry (Laves structures, Zr, Ti and Pu compounds), techniques of analysis by X-ray diffraction (on powders and on single crystals), result interpretation (UNiX compounds, AnTAl compounds with T being a metal from group VIII, AnTGa compounds, AnNiGe compounds, distance comparison, structure modifications under pressure). The third part concerns physical issues. The author addresses the following topics: physical properties of intermetallic 1.1.1 compounds (magnetism of yttrium phases, behaviour of uranium-based Laves phases, analysis of pseudo-binary diagrams, physical characteristics of uranium-based 1.1.1 compounds, predictions of physical measurements), analysis techniques (Moessbauer spectroscopy, SQUID for Superconducting Quantum Interference Device), and result interpretation

  16. Intramolecular charge separation in spirobifluorene-based donor–acceptor compounds adsorbed on Au and indium tin oxide electrodes

    International Nuclear Information System (INIS)

    Heredia, Daniel; Otero, Luis; Gervaldo, Miguel; Fungo, Fernando; Dittrich, Thomas; Lin, Chih-Yen; Chi, Liang-Chen; Fang, Fu-Chuan; Wong, Ken-Tsung

    2013-01-01

    Surface photovoltage (SPV) measurements were performed with a Kelvin-probe in spirobifluorene-based donor (diphenylamine)–acceptor (dicyano or cyanoacrylic acid moieties) compounds adsorbed from highly diluted solutions onto Au and indium tin oxide electrode surfaces. Strong intramolecular charge separation (negative SPV signals up to more than 0.1 V) due to directed molecule adsorption was observed only for spirobifluorene donor–acceptor compounds with carboxylic acid moiety. SPV signals and onset energies of electronic transitions depended on ambience conditions. - Highlights: ► Fluorene donor–acceptor derivatives were adsorbed at Au and indium tin oxide. ► Surface photovoltage measurements were performed with a Kelvin-probe. ► Strong intra-molecular charge separation was observed. ► SPV signals depended on ambience conditions

  17. In search of new lead compounds for trypanosomiasis drug design: A protein structure-based linked-fragment approach

    Science.gov (United States)

    Verlinde, Christophe L. M. J.; Rudenko, Gabrielle; Hol, Wim G. J.

    1992-04-01

    A modular method for pursuing structure-based inhibitor design in the framework of a design cycle is presented. The approach entails four stages: (1) a design pathway is defined in the three-dimensional structure of a target protein; (2) this pathway is divided into subregions; (3) complementary building blocks, also called fragments, are designed in each subregion; complementarity is defined in terms of shape, hydrophobicity, hydrogen bond properties and electrostatics; and (4) fragments from different subregions are linked into potential lead compounds. Stages (3) and (4) are qualitatively guided by force-field calculations. In addition, the designed fragments serve as entries for retrieving existing compounds from chemical databases. This linked-fragment approach has been applied in the design of potentially selective inhibitors of triosephosphate isomerase from Trypanosoma brucei, the causative agent of sleeping sickness.

  18. Melanoma of unknown origin: a case series.

    LENUS (Irish Health Repository)

    Kelly, J

    2010-12-01

    The natural history of metastatic melanoma involving lymph nodes, in the absence of a known primary site (cutaneous, ocular or mucosal) has, to date, been poorly defined; and the optimal management of this rare subtype of disease is therefore unclear. Melanomas of unknown primary site (MUP) are estimated to comprise between 3.7 and 6% of all melanomas (Anbari et al. in Cancer 79:1861-1821, 1997).

  19. Autonomous Flight in Unknown Indoor Environments

    OpenAIRE

    Bachrach, Abraham Galton; He, Ruijie; Roy, Nicholas

    2009-01-01

    This paper presents our solution for enabling a quadrotor helicopter, equipped with a laser rangefinder sensor, to autonomously explore and map unstructured and unknown indoor environments. While these capabilities are already commodities on ground vehicles, air vehicles seeking the same performance face unique challenges. In this paper, we describe the difficulties in achieving fully autonomous helicopter flight, highlighting the differences between ground and helicopter robots that make it ...

  20. Multidimensional procurement auctions with unknown weights

    DEFF Research Database (Denmark)

    Greve, Thomas

    This paper studies the consequences of holding a procurement auction when the principal chooses not to show its preferences. My paper extends the procurement auction model of Che (1993) to a situation where both the principal and the agents have private information. Thus, unknown parameters of bo...... gives rise to an analysis of a principal that can not fully commit to the outcome induced by the scoring rule. Therefore, my result apply to contract theory and it’s problems with imperfect commitment....

  1. Application of Novel Processing Methods for Greater Retention of Functional Compounds in Fruit-Based Beverages

    Directory of Open Access Journals (Sweden)

    Mariana Morales-de la Peña

    2016-06-01

    Full Text Available Eating habits of western populations are changing due to modern lifestyles. As a result, people are becoming more susceptible to chronic and degenerative diseases. This fact has motivated the food industry to develop functional products that could decrease the incidence of those disorders. It is well known that fruit juices, milk and soymilk possess high concentrations of antioxidant and bioactive substances. Hence, the development of these functional beverages is a potential way to take advantage of their nutritional properties and exotic flavors that could attract the interest of consumers. At the same time, application of the right preservation treatment is of high relevance in order to obtain safe products with convenient shelf life and high concentration of health-related compounds. This fact represents a great challenge that scientists and technologists are currently facing. Today, novel preservation processes such as high hydrostatic pressure (HHP, high intensity pulsed electric fields (HIPEF and ultrasound (US, among others, are being evaluated as an alternative to heat pasteurization, obtaining promising results. Hence, this review gathers the most relevant information about the development of mixed beverages containing fruit juices and milk or soymilk. Furthermore, the advantages and drawbacks of the application of non-thermal treatments for functional beverages’ preservation with high content of bioactive compounds are also mentioned.

  2. Synthesis and study of the magnetic properties of thallium-based over-doped superconducting compounds

    International Nuclear Information System (INIS)

    Opagiste, C.

    1994-07-01

    The synthesis, structure and magnetic properties of the normal and superconducting states of over-doped Tl 2 Ba 2 Cu O 6±x and Tl 2 Ba 2 Ca Cu 2 O 8±x superconducting compounds, are presented. Synthesis under high pressure using Tl 2 Ba 2 O 5 as a precursor avoids thallium losses and Ba Cu O 2 formation. The entire over-doped region has been investigated (Tc ranging from 0 to 92 K) and the different stability zones for the two crystallographic structures have been explored. The orthorhombic structure is shown to be stoichiometric in cations, while the tetragonal one could present thallium deficiency. Clear correlations have been established between Tc and the lattice parameters for the two phases. It has been observed that the Meissner fraction increased with Tc and that the reversibility domain was more extended for samples having a Tc near the maximal value, which must be linked to the decrease of the anisotropy with over-doping. In the reversible regime, the mixed state is affected by thermal fluctuations around Tc. Evolution of the penetration depth with Tc is examined; it shows that the optimum doped compound (maximal Tc) behaves as a BCS type superconductor. The over-doping results in a penetration depth behaviour which strongly deviates from the standard model (BCS, two fluids). The zero temperature, obtained by extrapolation, seems to be independent of the over-doping. 54 figs., 3 tabs., 168 refs

  3. High-throughput screening in niche-based assay identifies compounds to target preleukemic stem cells

    Science.gov (United States)

    Gerby, Bastien; Veiga, Diogo F.T.; Krosl, Jana; Nourreddine, Sami; Ouellette, Julianne; Haman, André; Lavoie, Geneviève; Fares, Iman; Tremblay, Mathieu; Litalien, Véronique; Ottoni, Elizabeth; Geoffrion, Dominique; Maddox, Paul S.; Chagraoui, Jalila; Hébert, Josée; Sauvageau, Guy; Kwok, Benjamin H.; Roux, Philippe P.

    2016-01-01

    Current chemotherapies for T cell acute lymphoblastic leukemia (T-ALL) efficiently reduce tumor mass. Nonetheless, disease relapse attributed to survival of preleukemic stem cells (pre-LSCs) is associated with poor prognosis. Herein, we provide direct evidence that pre-LSCs are much less chemosensitive to existing chemotherapy drugs than leukemic blasts because of a distinctive lower proliferative state. Improving therapies for T-ALL requires the development of strategies to target pre-LSCs that are absolutely dependent on their microenvironment. Therefore, we designed a robust protocol for high-throughput screening of compounds that target primary pre-LSCs maintained in a niche-like environment, on stromal cells that were engineered for optimal NOTCH1 activation. The multiparametric readout takes into account the intrinsic complexity of primary cells in order to specifically monitor pre-LSCs, which were induced here by the SCL/TAL1 and LMO1 oncogenes. We screened a targeted library of compounds and determined that the estrogen derivative 2-methoxyestradiol (2-ME2) disrupted both cell-autonomous and non–cell-autonomous pathways. Specifically, 2-ME2 abrogated pre-LSC viability and self-renewal activity in vivo by inhibiting translation of MYC, a downstream effector of NOTCH1, and preventing SCL/TAL1 activity. In contrast, normal hematopoietic stem/progenitor cells remained functional. These results illustrate how recapitulating tissue-like properties of primary cells in high-throughput screening is a promising avenue for innovation in cancer chemotherapy. PMID:27797342

  4. Influence of composition of the raw materials on phase formation in solid compounds based on slag and clay minerals

    International Nuclear Information System (INIS)

    Galkin, A.V.; Tolebaev, T.; Omarova, V.I.; Burkitbaev, M.; Blynskiy, A.P.; Bachilova, N.V.; Matsynina, V.I.

    2003-01-01

    Full text: Activation of solidification processes in a compound formed on the basis of slag and clay minerals using sodium hydroxide - the output product from processing the BN-350 sodium coolant it is expedient to form the final product with a phase composition representing (in terms of long term storage) hydro-alumino-silicates incorporating Na-22 and Cs-137 radionuclides, which isomorphly replace other atoms in the crystal lattice sites. Combination of mineral phases, such as alkaline and alkaline-earth hydro-alumino-silicates with zeolite-like structure, providing sorptive properties, and the tobermorite like low-base hydro silicates of calcium defining the physico-mechanical properties of compound is the necessary condition for the compound stability. Investigations of phase formation in the mixtures of Kazakhstan clay, slag materials and alkali have been conducted targeted to control the physico-chemical properties of solid compound. The mixtures of alkali, thermal power plant ashes and clays of various mineralogical genesis (kaolinite, bentonite, Ca-Na-smectite montmorillonite) have been studied. The ashes and phosphorous slag while interacting with alkali are determined to form the non-alkaline hydro-silicates of stavrolite and indianite (anortite) type with free alkali being found in an unbound state. Both alkaline and alkaline-alkaline-earth hydro-silicates of Na 2 Ca 2 Si 2 O 7 H 2 O type are only formed in a compounds containing metallurgical slag. Formation of alkaline hydro-alumino-silicates of NaAlSiO 4 H 2 0 type as well as tomsonite (Na 4 Ca 8 [Al 20S i 20 O 80 ] 24H 2 O) - the zeolite like mineral have been detected in a two-component alkali-clay mixtures. Besides the quantity of tomsonite was determined to be not only dependent on Al 2 O 3 content in clay component but is also defined by stoichiometric composition of the mixture, because zeolite synthesis takes place under conditions of gels co-deposition and high pH value. Maximum quantity of

  5. Formation Dynamics of Potassium-Based Graphite Intercalation Compounds: An Ab Initio Study

    Science.gov (United States)

    Jiang, Xiankai; Song, Bo; Tománek, David

    2018-04-01

    This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. We use ab initio molecular dynamics simulations to study the microscopic dynamics of potassium intercalation in graphite. Upon adsorbing on graphite from the vapor phase, K atoms transfer their valence charge to the substrate. K atoms adsorbed on the surface diffuse rapidly along the graphene basal plane and eventually enter the interlayer region following a "U -turn" across the edge, gaining additional energy. This process is promoted at higher coverages associated with higher K pressure, leading to the formation of a stable intercalation compound. We find that the functionalization of graphene edges is an essential prerequisite for intercalation since bare edges reconstruct and reconnect, closing off the entry channels for the atoms.

  6. Binary fragmentation based studies for the near super-heavy compound nucleus {sup 256}Rf

    Energy Technology Data Exchange (ETDEWEB)

    Thakur, Meenu; Behera, B.R.; Mahajan, Ruchi; Kaur, Gurpreet; Sharma, Priya; Kapoor, Kushal; Rani, Kavita [Panjab University, Department of Physics, Chandigarh (India); Saneesh, N.; Dubey, R.; Yadav, A.; Sugathan, P.; Jhingan, A.; Chatterjee, A.; Chatterjee, M.B. [Inter University Accelerator Centre, New Delhi (India); Kumar, Neeraj; Mandal, S. [University of Delhi, Department of Physics and Astrophysics, Delhi (India); Kumar, S. [Andhra University, Department of Nuclear Physics, Visakhapatnam (India); Saxena, A.; Kailas, S. [Bhabha Atomic Research Centre, Nuclear Physics Division, Mumbai (India); Pal, Santanu [CS, Kolkata (India); Nasirov, Avazbek [JINR, Bogoliubov Laboratory of Theoretical Physics, Dubna (Russian Federation); National University, Department of Physics, Tashkent (Uzbekistan); Kayumov, Bakhodir [National University, Department of Physics, Tashkent (Uzbekistan)

    2017-06-15

    Binary fragmentation of the near super-heavy compound nucleus {sup 256}Rf has been studied through the reaction {sup 48}Ti + {sup 208}Pb at a bombarding energy well above the Coulomb barrier. For a better understanding of its reaction dynamics, the mass distribution, mass-energy distribution and mass-angle distribution of the fission fragments produced from {sup 256}Rf have been investigated thoroughly. The masses and kinetic energies of the fission fragments were reconstructed event-by-event from their measured velocities and emission angles. From the mass-energy analysis, a sizeable contribution from the asymmetric fission was observed on the edges of symmetric mass distribution. Evidence of asymmetric fission was also clued from the observed correlation between the masses and emission angles of the fission fragments. Contribution of the quasi-fission products has also been estimated by performing the theoretical dinuclear system calculations. (orig.)

  7. Optical properties of zinc oxide-based ternary compounds synthesized by electrodeposition

    Energy Technology Data Exchange (ETDEWEB)

    Cembrero, J. [Departament d' Enginyeria Mecanica i Materials, Universitat Politecnica de Valencia, Cami de Vera s/n, 46022 Valencia (Spain); Mollar, M.; Tortosa, M. [Departament de Fisica Aplicada, Universitat Politecnica de Valencia, Cami de Vera s/n, 46022 Valencia (Spain); Mari, B.

    2008-07-01

    Structure, morphology and optical properties of ZnO thin films grown by electrodeposition under different conditions changing both solvent (water or dimethylsulfoxide) and substrate (polycrystalline FTO or monocrystalline GaN) are reported. The results point out the advantage of using dimethylsulfoxide when uniform, oriented and highly transparent films are required. On the other hand electrodeposition in aqueous bath produces perfectly defined hexagonal ZnO columns which can be fully oriented by chosing a suitable substrate. Photoluminescence has only been observed for ZnO films grown in aqueous bath. Ternary compounds as ZnMO (M=Cd,Co,Mn) with a controlled ratio between both cations, and morphology and structure like binary ZnO can be easily obtained from dimethylsulfoxide. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. Chemical interaction in resistors based on lead ruthenite with additions of niobium(5) oxide compounds

    International Nuclear Information System (INIS)

    Lozinskij, N.S.; Shevtsova, N.A.; Gruba, A.I.; Volkov, V.I.

    1986-01-01

    The method of X-ray phase analysis was used to study chemical interaction in isothermal cross-section of Pb 2 RU 2 O 6 -Nb 2 O 5 , Rbsub(2)Rusub(2)Osub(6)-NbWOsub(5.5) and Rb 2 Ru 2 O 6 -Pb 2 Nb 2 O 7 systems at 850 deg C as well as in models of real ruthenium resistors. Chemical interaction is stated to take place in systems with niobium (5) oxide and NbWOsub(5.5). Niobium (5) and tungsten (6) displace ruthenium (4) from its compounds with formation of their lead salts. Similar chemical interactions between current-carrying phase of the resistor and modifiers representing niobium-containing take place in models of components of the studied systems take place in models of resistors

  9. Photonic-Crystal-Based Thin Film Sensor for Detecting Volatile Organic Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Hyung Kwan; Park, Jung Yul [Sogang Univ., Seoul (Korea, Republic of)

    2016-03-15

    Early detection of toxic gases, such as volatile organic compounds (VOCs), is important for safety and environmental protection. However, the conventional detection methods require long-term measurement times and expensive equipment. In this study, we propose a thin-film-type chemical sensor for VOCs, which consists of self assembled monosize nanoparticles for 3-D photonic crystal structures and polydimthylsiloxane (PDMS) film. It is operated without any external power source, is truly portable, and has a fast response time. The structure color of the sensor changes when it is exposed to VOCs, because VOCs induce a swelling of the PDMS. Therefore, using this principle of color change, we can create a thin-film sensor for immediate detection of various types of VOCs. The proposed device evidences that a fast response time of just seconds, along with a clear color change, are successfully observed when the sensor is exposed to gas-phase VOCs.

  10. Magnetocaloric effects in MnFeP1-x As x -based compounds

    International Nuclear Information System (INIS)

    Brueck, E.; Ilyn, M.; Tishin, A.M.; Tegus, O.

    2005-01-01

    Here we present the results of an investigation of some magnetic and thermal properties of the compounds MnFeP 0.45 As 0.55 , MnFeP 0.47 As 0.53 , and Mn 1.1 Fe 0.9 P 0.47 As 0.53 which can be regarded as possible magnetic refrigerants for room temperature applications. Magnetization measurements are performed in the temperature range 250-330 K, in magnetic fields up to 5 T. The coexistence of the magnetic and structural first-order phase transitions is revealed in all three samples, suggesting its key role in the large values observed for the magnetocaloric effect. The adiabatic temperature change measured directly was up to 4.0, 3.4, and 4.2 K for a magnetic field change of 1.45 T

  11. High-efficiency THz modulator based on phthalocyanine-compound organic films

    International Nuclear Information System (INIS)

    He, Ting; Zhang, Bo; Shen, Jingling; Zang, Mengdi; Chen, Tianji; Hu, Yufeng; Hou, Yanbing

    2015-01-01

    We report a high efficiency, broadband terahertz (THz) modulator following a study of phthalocyanine-compound organic films irradiated with an external excitation laser. Both transmission and reflection modulations of each organic/silicon bilayers were measured using THz time-domain and continuous-wave systems. For very low intensities, the experimental results show that AlClPc/Si can achieve a high modulation factor for transmission and reflection, indicating that AlClPc/Si has a superior modulation efficiency compared with the other films (CuPc and SnCl 2 Pc). In contrast, the strong attenuation of the transmitted and reflected THz waves revealed that a nonlinear absorption process takes place at the organic/silicon interface

  12. Value of Bone marrow Examination in Pyrexia of unknown origin

    Directory of Open Access Journals (Sweden)

    A Jha

    2013-10-01

    Full Text Available Background: Pyrexia of unknown origin is a common diagnostic dilemma. Series of diagnostic modalities are required to arrive at diagnosis. Bone marrow examination is one of the common tests implicated in the diagnosis in combination with other diagnostic modalities. Present study has attempted to explore the causes of pyrexia of unknown origin based on bone marrow morphological study. Materials and Methods: In a one year prospective study conducted at Manipal Teaching Hospital, Pokhara, Nepal; bone marrow aspiration and biopsy was performed and evaluated morphologically, in 57 patients fulfilling the criteria of classic pyrexia of unknown origin. Results: In 42% cases; specific diagnosis could be made and hematological neoplasm was the most common finding followed by megaloblastic anemia, hypoplastic anemia and one case each of hemophagocytosis, malaria and tuberculosis. Acute leukemia was the most frequently encountered hematological malignancy followed by multiple myeloma, chronic myeloid leukemia, essential thrombocythemia and myelodysplastic syndrome. Conclusion: Morphological examination of bone marrow has important role in diagnosis of pyrexia of unknown origin. However, yield of diagnosis can be increased if it is combined with other diagnostic modalities including radiological, microbiological and serological tests. DOI: http://dx.doi.org/10.3126/jpn.v3i6.8991 Journal of Pathology of Nepal (2013 Vol. 3, 447-451

  13. Fast grasping of unknown objects using principal component analysis

    Science.gov (United States)

    Lei, Qujiang; Chen, Guangming; Wisse, Martijn

    2017-09-01

    Fast grasping of unknown objects has crucial impact on the efficiency of robot manipulation especially subjected to unfamiliar environments. In order to accelerate grasping speed of unknown objects, principal component analysis is utilized to direct the grasping process. In particular, a single-view partial point cloud is constructed and grasp candidates are allocated along the principal axis. Force balance optimization is employed to analyze possible graspable areas. The obtained graspable area with the minimal resultant force is the best zone for the final grasping execution. It is shown that an unknown object can be more quickly grasped provided that the component analysis principle axis is determined using single-view partial point cloud. To cope with the grasp uncertainty, robot motion is assisted to obtain a new viewpoint. Virtual exploration and experimental tests are carried out to verify this fast gasping algorithm. Both simulation and experimental tests demonstrated excellent performances based on the results of grasping a series of unknown objects. To minimize the grasping uncertainty, the merits of the robot hardware with two 3D cameras can be utilized to suffice the partial point cloud. As a result of utilizing the robot hardware, the grasping reliance is highly enhanced. Therefore, this research demonstrates practical significance for increasing grasping speed and thus increasing robot efficiency under unpredictable environments.

  14. Molecular docking, QSAR and ADMET based mining of natural compounds against prime targets of HIV.

    Science.gov (United States)

    Vora, Jaykant; Patel, Shivani; Sinha, Sonam; Sharma, Sonal; Srivastava, Anshu; Chhabria, Mahesh; Shrivastava, Neeta

    2018-01-07

    AIDS is one of the multifaceted diseases and this underlying complexity hampers its complete cure. The toxicity of existing drugs and emergence of multidrug-resistant virus makes the treatment worse. Development of effective, safe and low-cost anti-HIV drugs is among the top global priority. Exploration of natural resources may give ray of hope to develop new anti-HIV leads. Among the various therapeutic targets for HIV treatment, reverse transcriptase, protease, integrase, GP120, and ribonuclease are the prime focus. In the present study, we predicted potential plant-derived natural molecules for HIV treatment using computational approach, i.e. molecular docking, quantitative structure activity relationship (QSAR), and ADMET studies. Receptor-ligand binding studies were performed using three different software for precise prediction - Discovery studio 4.0, Schrodinger and Molegrow virtual docker. Docking scores revealed that Mulberrosides, Anolignans, Curcumin and Chebulic acid are promising candidates that bind with multi targets of HIV, while Neo-andrographolide, Nimbolide and Punigluconin were target-specific candidates. Subsequently, QSAR was performed using biologically proved compounds which predicted the biological activity of compounds. We identified Anolignans, Curcumin, Mulberrosides, Chebulic acid and Neo-andrographolide as potential natural molecules for HIV treatment from results of molecular docking and 3D-QSAR. In silico ADMET studies showed drug-likeness of these lead molecules. Structure similarities of identified lead molecules were compared with identified marketed drugs by superimposing both the molecules. Using in silico studies, we have identified few best fit molecules of natural origin against identified targets which may give new drugs to combat HIV infection after wet lab validation.

  15. Combined genetic and bioactivity-based prioritization leads to the isolation of an endophyte-derived antimycobacterial compound.

    Science.gov (United States)

    Alvin, A; Kalaitzis, J A; Sasia, B; Neilan, B A

    2016-05-01

    To initiate a genetic and bioactivity-based screening programme of culturable endophytes to identify micro-organisms capable of producing bioactive polyketides and peptides. Fungal endophytes were isolated from flowers, leaves and roots of Rhoeo spathacea, revealing a community consisting of Colletotrichum sp., Fusarium sp., Guignardia sp., Phomopsis sp., Phoma sp. and Microdochium sp. Genetic screening showed that all isolates had polyketide synthase (PKS) genes and most had nonribosomal peptide synthetase (NRPS) genes. Ethyl acetate extracts of the fungal isolates exhibited antiproliferative activity against at least one of the seven bacterial and mycobacterial test strains. Nuclear Magnetic Resonance -guided fractionation of the crude extract from a Fusarium sp. strain which exhibited strong antiproliferative activity against Mycobacterium tuberculosis resulted in the isolation of the polyketide javanicin. This compound was active against Myco. tuberculosis (MIC = 25 μg ml(-1)) and Mycobacterium phlei (MIC = 50 μg ml(-1)). The medicinal plant R. spathacea hosts a variety of fungal endophytes capable of producing antibacterial and antimycobacterial compounds. There is a positive correlation between the presence of PKS and/or NRPS encoding genes in endophytes and the bioactivity of their respective organic extracts. This is the first report on the fungal endophytic diversity of R. spathacea, and the isolation of an antimycobacterial compound from the plant which has been traditionally used for the treatment of tuberculosis symptoms. © 2016 The Society for Applied Microbiology.

  16. Content and evolution of potential furfural compounds in commercial milk-based infant formula powder after opening the packet.

    Science.gov (United States)

    Chávez-Servín, Jorge L; de la Torre Carbot, Karina; García-Gasca, Teresa; Castellote, Ana I; López-Sabater, M Carmen

    2015-01-01

    Potential furfural compounds were examined by RP-HPLC-DAD in 20 commercial milk-based powdered infant formula (IF) brands from local markets from Paris, France; DF, Mexico; Copenhagen, Denmark; England, UK; and Barcelona, Spain. We traced the evolution of these compounds after the packets had been opened at 0, 30 and 70 days of storage at room temperature (≈25 °C; minimum 23 °C and maximum 25.5 °C). All formula brands were analysed during the first 3-5 months of their shelf life. The mean values of all IFs for potential 5-hydroxymethyl-2-furaldehyde (HMF)+2-furaldehyde (F) were 1115.2 μg/100 g (just opened), 1157.6 μg/100 g (30 days) and 1344.5 μg/100 g of product (70 days). In general, slight increases of potential furfural contents were observed in most of the studied IFs, which suggests that the Maillard reaction increases after opening the packets. The main furfural compound found was HMF, as expected. The range of potential HMF consumed for an infant about 6 months old feeding only on formula was estimated between 0.63 mg and 3.25 mg per day. Copyright © 2014 Elsevier Ltd. All rights reserved.

  17. Thermoelectric and Structural Properties of Zr-/Hf-Based Half-Heusler Compounds Produced at a Large Scale

    Science.gov (United States)

    Zillmann, D.; Waag, A.; Peiner, E.; Feyand, M.-H.; Wolyniec, A.

    2018-02-01

    The half-Heusler (HH) systems are promising candidates for thermoelectric (TE) applications since they have shown high figures of merit ( zT) of ˜ 1, which are directly related to the energy conversion efficiency. To use HH compounds for TE devices, the materials must be phase-stable at operating temperatures up to 600°C. Currently, only a few HH compositions are available in large quantities. Hence, we focus on the TE and structural properties of three commercially available Zr-/Hf-based HH compounds in this publication. In particular, we evaluate the thermal conductivities and the figures of merit and critically discuss uncertainties and propagation error in the measurements. We find thermal conductivities of less than 6.0 W K^{-1}m^{-1} for all investigated materials and notably high figures of merit of 0.93 and 0.60 for n- and p-type compounds, respectively, at 600°C. Additionally, our investigations reveal that the grain structures of all materials also contain secondary phases like HfO2, Sn-Ni and Ti-Zr-Sn rich phases while an additional SnO_2 phase was found following several hours of harsh heat treatment at 800°C.

  18. 2-(2-Hydroxyphenyl)imidazole-based four-coordinate organoboron compounds with efficient deep blue photoluminescence and electroluminescence.

    Science.gov (United States)

    Zhang, Zhenyu; Zhang, Zuolun; Zhang, Hongyu; Wang, Yue

    2017-12-19

    Two new four-coordinate organoboron compounds with 2-(2-hydroxyphenyl)imidazole derivatives as the chelating ligands have been synthesized. They possess high thermal stability and are able to form an amorphous glass state. Crystallographic analyses indicate that the differences in ligand structure cause the change of ππ stacking character. The CH 2 Cl 2 solutions and thin films of these compounds display bright blue emission, and these compounds have appropriate HOMO and LUMO energy levels for carrier injection in OLEDs. By utilizing the good thermal and luminescent properties, as well as the proper frontier orbital energy levels, bright non-doped OLEDs with a simple structure have been realized. Notably, these simple devices show deep blue electroluminescence with the Commission Internationale de l'Éclairage (CIE) coordinate of ca. (0.16, 0.08), which is close to the CIE coordinate of (0.14, 0.08) for standard blue defined by the National Television System Committee. In addition, one of the devices exhibits good performance, showing brightness, current efficiency, power efficiency and external quantum efficiency up to 2692 cd m -2 , 2.50 cd A -1 , 1.81 lm W -1 and 3.63%, respectively. This study not only provides good deep-blue emitting OLED materials that are rarely achieved by using four-coordinate organoboron compounds, but also allows a deeper understanding of the structure-property relationship of 2-(2-hydroxyphenyl)imidazole-based boron complexes, which benefits the further structural design of this type of material.

  19. Metastasis to neck from unknown primary tumor

    International Nuclear Information System (INIS)

    Jose, B.; Bosch, A.; Caldwell, W.L.; Frias, Z.

    1979-01-01

    The records of 54 consecutive patients who were irradiated for metastatic disease in the neck from an unknown primary tumor were reviewed. The overall survival results are comparable to those of other reported series. Patients with high or posterior cervical lymph node involvement were irradiated with fields including the nasopharynx and oropharynx. Patients with high neck nodes had a better survival rate than those with low neck nodes. The size of the neck tumors and the local control after treatment also have prognostic significance. (Auth.)

  20. Transfer of an unknown quantum state, quantum networks, and memory

    International Nuclear Information System (INIS)

    Biswas, Asoka; Agarwal, G.S.

    2004-01-01

    We present a protocol for transfer of an unknown quantum state. The protocol is based on a two-mode cavity interacting dispersively in a sequential manner with three-level atoms in the Λ configuration. We propose a scheme for quantum networking using an atomic channel. We investigate the effect of cavity decoherence in the entire process. Further, we demonstrate the possibility of an efficient quantum memory for arbitrary superposition of two modes of a cavity containing one photon

  1. A field-deployable compound-specific isotope analyzer based on quantum cascade laser and hollow waveguide

    Science.gov (United States)

    Wu, Sheng; Deev, Andrei

    2013-01-01

    A field deployable Compound Specific Isotope Analyzer (CSIA) coupled with capillary chromatogrpahy based on Quantum Cascade (QC) lasers and Hollow Waveguide (HWG) with precision and chemical resolution matching mature Mass Spectroscopy has been achieved in our laboratory. The system could realize 0.3 per mil accuracy for 12C/13C for a Gas Chromatography (GC) peak lasting as short as 5 seconds with carbon molar concentration in the GC peak less than 0.5%. Spectroscopic advantages of HWG when working with QC lasers, i.e. single mode transmission, noiseless measurement and small sample volume, are compared with traditional free space and multipass spectroscopy methods.

  2. PROPERTIES OF NR AND NR/ENR BASED RUBBER COMPOUNDS REINFORCED WITH CHOPPED AND SIZED CARBON FIBER

    Directory of Open Access Journals (Sweden)

    Bağdagül Karaağaç

    2016-12-01

    Full Text Available High elasticity, mechanical resistance and antivibration characteristics of natural rubber (NR are essential issue in the main area of vehicle tyres and high modulus demanding bearing applications. In this study, especially in bearing applications, where natural rubber modulus properties are limited, natural rubber has been reinforced with chopped and hydrocarbon sized carbon fiber to get improved tensile modulus. Besides, epoxidized natural rubber (ENR, which was produced by chemical modification of natural rubber, blended with NR and the compounds have been reinforced with epoxy sized carbon fiber. NR and NR/ENR based rubber compounds’ rheological, mechanical, and aging properties have been systematically investigated and evaluated.

  3. Comprehensive uranium thiophosphate chemistry: Framework compounds based on pseudotetrahedrally coordinated central metal atoms

    International Nuclear Information System (INIS)

    Neuhausen, Christine; Panthoefer, Martin; Tremel, Wolfgang; Hatscher, Stephan T.; Urland, Werner

    2013-01-01

    The new ternary compounds UP 2 S 6 , UP 2 S 7 , U(P 2 S 6 ) 2 , and U 3 (PS 4 ) 4 were prepared from uranium metal, phosphorus pentasulfide, and sulfur at 700 C. The crystal structures were determined by single-crystal X-ray diffraction methods. UP 2 S 6 (I) crystallizes in the ZrP 2 S 6 structure type [tetragonal, P4 2 /m, a = 6.8058(7) Aa, c = 9.7597(14) Aa, Z = 2], which consists of central uranium(IV) atoms coordinated by P 2 S 6 4- anions (staggered conformation). The anions are two-dimensional connectors for four uranium cations arranged in one plane. The structure of UP 2 S 7 (II) [orthorhombic, Fddd, a = 8.9966(15) Aa, b = 15.2869(2) Aa, c = 30.3195(5) Aa, Z = 16] is closely related to the monoclinic ZrP 2 S 7 structure type. It consists of U 4+ cations linked by P 2 S 7 4- ligands, the resulting 3D network contains large pores (diameter approx. 3.5 x 16.7 Aa). In the previously reported compound U(P 2 S 6 ) 2 (III) [I4 1 /a, a = 12.8776(9) Aa, c = 9.8367(10) Aa, Z = 2], the metal atoms are coordinated by four bidentate P 2 S 6 2- ligands. This arrangement can be considered as a pseudotetrahedral coordination of the uranium atoms by the linear ligands. Three of the resulting diamondoid frameworks are inseparably interwoven in order to optimize space filling. U 3 (PS 4 ) 4 (IV) [I4 1 /acd, a = 10.7440(9) Aa, c = 19.0969(2) Aa, Z = 2] crystallizes in a defect variant of the PrPS 4 structure type, with 50 % of the U2 sites statistically occupied with uranium atoms. The resulting stoichiometry is U 3 (PS 4 ) 4 with tetravalent uranium atoms. The structure of U 3 (PS 4 ) 4 consists of uranium atoms connected by PS 4 3- groups, each PS 4 group linking four central uranium atoms. Vibrational spectra, which were recorded for I-III, show good agreement between the obtained results and the expected values for the anionic units, while magnetic measurements confirm the presence of tetravalent uranium. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGa

  4. Discovery of a Novel Inhibitor of the Hedgehog Signaling Pathway through Cell-based Compound Discovery and Target Prediction.

    Science.gov (United States)

    Kremer, Lea; Schultz-Fademrecht, Carsten; Baumann, Matthias; Habenberger, Peter; Choidas, Axel; Klebl, Bert; Kordes, Susanne; Schöler, Hans R; Sterneckert, Jared; Ziegler, Slava; Schneider, Gisbert; Waldmann, Herbert

    2017-10-09

    Cell-based assays enable monitoring of small-molecule bioactivity in a target-agnostic manner and help uncover new biological mechanisms. Subsequent identification and validation of the small-molecule targets, typically employing proteomics techniques, is very challenging and limited, in particular if the targets are membrane proteins. Herein, we demonstrate that the combination of cell-based bioactive-compound discovery with cheminformatic target prediction may provide an efficient approach to accelerate the process and render target identification and validation more efficient. Using a cell-based assay, we identified the pyrazolo-imidazole smoothib as a new inhibitor of hedgehog (Hh) signaling and an antagonist of the protein smoothened (SMO) with a novel chemotype. Smoothib targets the heptahelical bundle of SMO, prevents its ciliary localization, reduces the expression of Hh target genes, and suppresses the growth of Ptch +/- medulloblastoma cells. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Study of a novel indolin-2-ketone compound Z24 induced hepatotoxicity by NMR-spectroscopy-based metabonomics of rat urine, blood plasma, and liver extracts

    International Nuclear Information System (INIS)

    Wang Quanjun; Jiang Ying; Wu Chunqi; Zhao Jianyu; Yu Shouzhong; Yuan Benli; Yan Xianzhong; Liao Mingyang

    2006-01-01

    Antiangiogenic compound has been believed to be an ideal drug in the current cancer biological therapy, but the angiogenesis inhibitors suffer setback for unknown toxicity now. A novel synthetic indolin-s-ketone small molecular compound, 3Z-3-[( 1 H-pyrrol-2-yl)-methylidene]-1-(1-piperidinylmethyl)-1,3-2H-indol-2-one (Z24) can inhibit angiogenesis in new blood vessels. The hepatotoxicity effects of Z24 oral administration (dosed at 60, 130 and 200 mg/kg) have been investigated in female Wistar rats by using metabonomic analysis of 1 H NMR spectra of urine, plasma and liver extracts, as well as by clinical chemistry analysis, liver histopathology and electron micrographs examination. The 1 H NMR spectra of the biofluids were analyzed visually and via pattern recognition by using principal component analysis. The metabonomic trajectory analysis on the time-related hepatotoxicity of Z24 was carried out based on the 1 H NMR spectra of urine samples, which were collected daily predose and postdose over an 8-day period. Urinary excretion of citrate, lactate, 2-oxo-glutarate and succinate increased following Z24 dosing. Increased plasma levels of lactate, TMAO and lipid were observed, with concomitant decrease in the level of glucose and phosphatidylcholine. Metabolic profiling on aqueous soluble extracts of liver tissues with the high dose level of Z24 showed an increase in lactate and glutamine, together with a decrease in glucose, glycogen and choline. On the other hand, studies on lipid soluble extracts of liver tissues with the high dose level of Z24 showed increased level in lipid triglycerides and decreased level in unsaturated fatty acids and phosphatidylcholine. Moreover, the most notable effect of Z24 on the metabolism was the reduction in the urinary levels of creatinine and TMAO and the increase in acetate, citrate, succinate and 2-oxo-glutamate with time dependence. The results indicate that in rats Z24 inhibits mitochondrial function through altering the

  6. Characterization of Binary Organogels Based on Some Azobenzene Compounds and Alkyloxybenzoic Acids with Different Chain Lengths

    Directory of Open Access Journals (Sweden)

    Yongmei Hu

    2014-01-01

    Full Text Available In this work the gelation behaviors of binary organogels composed of azobenzene amino derivatives and alkyloxybenzoic acids with different lengths of alkyl chains in various organic solvents were investigated and characterized. The corresponding gelation behaviors in 20 solvents were characterized and shown as new binary organic systems. It showed that the lengths of substituent alkyl chains in compounds have played an important role in the gelation formation of gelator mixtures in present tested organic solvents. Longer methylene chains in molecular skeletons in these gelators seem more suitable for the gelation of present solvents. Morphological characterization showed that these gelator molecules have the tendency to self-assemble into various aggregates from lamella, wrinkle, and belt to dot with change of solvents and gelator mixtures. Spectral characterization demonstrated different H-bond formation and hydrophobic force existing in gels, depending on different substituent chains in molecular skeletons. Meanwhile, these organogels can self-assemble to form monomolecular or multilayer nanostructures owing to the different lengths of due to alkyl substituent chains. Possible assembly modes for present xerogels were proposed. The present investigation is perspective to provide new clues for the design of new nanomaterials and functional textile materials with special microstructures.

  7. Flame retardant finishing of cotton fabric based on synergistic compounds containing boron and nitrogen.

    Science.gov (United States)

    Xie, Kongliang; Gao, Aiqin; Zhang, Yongsheng

    2013-10-15

    Boric acid and compound containing nitrogen, 2,4,6-tri[(2-hydroxy-3-trimethyl-ammonium)propyl]-1,3,5-triazine chloride (Tri-HTAC) were used to finish cotton fabric. The flame retardant properties of the finished cotton fabrics and the synergetic effects of boron and nitrogen elements were investigated and evaluated by limited oxygen index (LOI) method. The mechanism of cross-linking reaction among cotton fiber, Tri-HTAC, and boric acid was discussed by FTIR and element analysis. The thermal stability and surface morphology of the finished cotton fabrics were investigated by thermogravimetric analysis (TGA) and scanning electron microscope (SEM), respectively. The finishing system of the mixture containing boron and nitrogen showed excellent synergistic flame retardancy for cotton fabric. The cotton fabric finished with mixture system had excellent flame retardancy. The LOI value of the treated cotton fabric increased over 27.5. Tri-HTAC could form covalent bonds with cellulose fiber and boric acid. The flame retardant cotton fabric showed a slight decrease in tensile strength and whiteness. The surface morphology of flame retardant cotton fiber was smooth. Copyright © 2013 Elsevier Ltd. All rights reserved.

  8. Muon Spin Relaxation Studies of RFeAsO and MFe2As2 Based Compounds

    Science.gov (United States)

    Luke, Graeme

    2010-03-01

    Muon spin relaxation measurements of a variety of iron pnictide systems have revealed commensurate long range magnetic order in the parent compounds which can change to incommensurate order with carrier doping. Magnetic order gives way to superconductivity with increased doping; however there are regions of the phase diagrams where the two phenomena co-exist. In the case of Ba1-xKxFe2As2 there is phase separation into superconducting and magnetic domains, whereas in Ba(Fe1-xCox)2As2 the coexistence is apparently microscopic for x=0.035->0.048. Transverse field muon spin rotation measurements of single crystal Ba(Fe1-xCox)2 and Sr(Fe1-xCox)2 exhibit an Abrikosov vortex lattice from which we are able to determine the magnetic field penetration depth and Ginzburg-Landau parameter. The temperature variation of the superfluid density is well described by a two-gap model. In Ba(Fe1-xCox)2As2, both the superconducting TC and the superfluid density decrease with increasing doping above x=0.06; in all of the pnictides we find that the superfluid density obeys the same nearly linear scaling with TC as found in the cuprates.

  9. Isolation, characterization and chromatography based purification of antibacterial compound isolated from rare endophytic actinomycetes Micrococcus yunnanensis

    Directory of Open Access Journals (Sweden)

    Ravi Ranjan

    2017-10-01

    Full Text Available Endophytic actinomycetes are considered as one of the relatively unexplored potential sources in search of antibiotic producer against antibiotic resistant pathogens. A potent strain isolated from Catharanthus roseus that displays antibacterial potential against antibiotic resistant human pathogen Staphylococcus aureus was characterized and designated as Micrococcus yunnanensis strain rsk5. Rsk5 is capable of producing optimum antibacterial metabolites on starch casein medium at 30 °C, pH 5 and 2% NaCl condition. The crude antibacterial agent was extracted from fermentation broth by ethyl acetate and separated by TLC using chloroform-methanol (24:1, v/v solvent system with Rf value of 0.26. It was partially purified by flash chromatography, followed by HPLC and analyzed by ultraviolet visible spectrophotometer to get absorption maxima at 208.4 nm. The ESI-MS spectra showed molecular ion peaks at m/z 472.4 [M-H], which does not match with any known antibacterial compound.

  10. Isolation, characterization and chromatography based purification of antibacterial compound isolated from rare endophytic actinomycetes Micrococcus yunnanensis.

    Science.gov (United States)

    Ranjan, Ravi; Jadeja, Vasantba

    2017-10-01

    Endophytic actinomycetes are considered as one of the relatively unexplored potential sources in search of antibiotic producer against antibiotic resistant pathogens. A potent strain isolated from Catharanthus roseus that displays antibacterial potential against antibiotic resistant human pathogen Staphylococcus aureus was characterized and designated as Micrococcus yunnanensis strain rsk5. Rsk5 is capable of producing optimum antibacterial metabolites on starch casein medium at 30 °C, pH 5 and 2% NaCl condition. The crude antibacterial agent was extracted from fermentation broth by ethyl acetate and separated by TLC using chloroform-methanol (24:1, v/v) solvent system with R f value of 0.26. It was partially purified by flash chromatography, followed by HPLC and analyzed by ultraviolet visible spectrophotometer to get absorption maxima at 208.4 nm. The ESI-MS spectra showed molecular ion peaks at m / z 472.4 [M-H], which does not match with any known antibacterial compound.

  11. Spectral and holographic characterization of new photochromic compounds based on substituted spiropyrans

    Science.gov (United States)

    Ciapurin, Igor V.; Robu, Stephan V.; Vlad, Lyudmila A.; Lessard, Roger A.; Tork, Amir; Lafond, Christophe; Bolte, Michel

    2001-06-01

    We report a new photochromic composite polymer consisting of poly-N-epoxypropylcarbazole (PEPC) polymeric matrix with a nitro-brome-substituted spiropyran (BNSP) photochromic dye. The PEPC + BNSP films can be considered as negative photochromic recording media. They are colored in the initial state and bleached upon irradiation within the visible spectra. When we placed the bleached samples to the darkness, they slowly revert to the colored form. This process has strong temperature dependence, so one can either 'freeze'' or accelerate changing of the current coloration state in the PEPC + BNSP. The experimental measurements are evaluated in conjunction with its potential applications for optical holographic recording in the visible spectral range. The real-time holographic recording procedure in PEPC + BNSP films was studied. The diffraction efficiency values reached the maximum of 23 percent at spatial frequency of 1600 line pairs per mm, during direct hologram recording with the 532 nm Coherent VERDI laser irradiation. Light exposures were ranged from 70 to 280 mJ/cm2. The investigated compounds have good perspectives for use in holography, two-photon optical data storage, electro-optics, and optical-limiting applications due to coupling of some unique properties such as high optical non-linearity, well charge transport, short response times, no-limiting resolution ability, etc.

  12. An accurate real-time model of maglev planar motor based on compound Simpson numerical integration

    Directory of Open Access Journals (Sweden)

    Baoquan Kou

    2017-05-01

    Full Text Available To realize the high-speed and precise control of the maglev planar motor, a more accurate real-time electromagnetic model, which considers the influence of the coil corners, is proposed in this paper. Three coordinate systems for the stator, mover and corner coil are established. The coil is divided into two segments, the straight coil segment and the corner coil segment, in order to obtain a complete electromagnetic model. When only take the first harmonic of the flux density distribution of a Halbach magnet array into account, the integration method can be carried out towards the two segments according to Lorenz force law. The force and torque analysis formula of the straight coil segment can be derived directly from Newton-Leibniz formula, however, this is not applicable to the corner coil segment. Therefore, Compound Simpson numerical integration method is proposed in this paper to solve the corner segment. With the validation of simulation and experiment, the proposed model has high accuracy and can realize practical application easily.

  13. An accurate real-time model of maglev planar motor based on compound Simpson numerical integration

    Science.gov (United States)

    Kou, Baoquan; Xing, Feng; Zhang, Lu; Zhou, Yiheng; Liu, Jiaqi

    2017-05-01

    To realize the high-speed and precise control of the maglev planar motor, a more accurate real-time electromagnetic model, which considers the influence of the coil corners, is proposed in this paper. Three coordinate systems for the stator, mover and corner coil are established. The coil is divided into two segments, the straight coil segment and the corner coil segment, in order to obtain a complete electromagnetic model. When only take the first harmonic of the flux density distribution of a Halbach magnet array into account, the integration method can be carried out towards the two segments according to Lorenz force law. The force and torque analysis formula of the straight coil segment can be derived directly from Newton-Leibniz formula, however, this is not applicable to the corner coil segment. Therefore, Compound Simpson numerical integration method is proposed in this paper to solve the corner segment. With the validation of simulation and experiment, the proposed model has high accuracy and can realize practical application easily.

  14. A wavelength-tunable fiber laser using a novel filter based on a compound interference effect

    Science.gov (United States)

    Zou, Hui; Lou, Shuqin; Su, Wei; Han, Bolin; Shen, Xiao

    2015-01-01

    A wavelength-tunable erbium-doped fiber laser is proposed and experimentally demonstrated by using a novel filter which is formed from a 2  ×  2 3 dB multimode coupler incorporating a segment of polarization maintaining fiber (PMF). By using the filter with 2.1 m lengths of PMF in a ring fiber laser, a stable single wavelength lasing is obtained experimentally. Its 3 dB bandwidth is less than 0.0147 nm and the side mode suppression ratio (SMSR) is higher than 58.91 dB. Experimental results demonstrate that mode competition can be effectively suppressed and the SMSR can be improved due to the compound interference effect aroused by the novel filter. Meanwhile the stability of the output lasing can be enhanced. By appropriately adjusting the polarization controllers (PCs), the output lasing wavelength can be tuned from 1563.51 to 1568.21 nm. This fiber laser has the advantage of a simple structure and stable operation at room temperature.

  15. Viscoelastic, Spectroscopic, and Microscopic Characterization of Novel Bio-Based Plasticized Poly(vinyl chloride Compound

    Directory of Open Access Journals (Sweden)

    Mei Chan Sin

    2014-01-01

    Full Text Available Plasticized poly(vinyl chloride (PVC is one of the most widely consumed commodity plastics. Nevertheless, the commonly used plasticizers, particularly phthalates, are found to be detrimental to the environment and human health. This study aimed to investigate the ability of an alternative greener material, medium-chain-length polyhydroxyalkanoates (mcl-PHA, a kind of biopolyester and its thermally degraded oligoesters, to act as a compatible bioplasticizer for PVC. In this study, mcl-PHA were synthesized by Pseudomonas putida PGA1 in shake flask fermentation using saponified palm kernel oil (SPKO and subsequently moderately thermodegraded to low molecular weight oligoesters (degPHA. SEM, ATR-FTIR, 1H-NMR, and DMA were conducted to study the film morphology, microstructure, miscibility, and viscoelastic properties of the PVC-PHA and PVC/degPHA binary blends. Increased height and sharpness of tan δmax⁡ peak for all binary blends reveal an increase in chain mobility in the PVC matrix and high miscibility within the system. The PVC-PHA miscibility is possibly due to the presence of specific interactions between chlorines of PVC with the C=O group of PHA as evidenced by spectroscopic analyses. Dynamic viscoelastic measurements also showed that mcl-PHA and their oligoesters could reduce the Tg of PVC, imparting elasticity to the PVC compounds and decreasing the stiffness of PVC.

  16. The Immunomodulatory Potential of Selected Bioactive Plant-Based Compounds in Breast Cancer: A Review.

    Science.gov (United States)

    Baraya, Yushau Shuaibu; Wong, Kah Keng; Yaacob, Nik Soriani

    2017-01-01

    Breast cancer has continued to cause high cancer death rates among women worldwide. The use of plants' natural products in breast cancer treatment has received more attention in recent years due to their potentially wider safety margin and the potential to complement conventional chemotherapeutic drugs. Plantbased products have demonstrated anticancer potential through different biological pathways including modulation of the immune system. Immunomodulatory properties of medicinal plants have been shown to mitigate breast cancer cell growth. Different immune cell types participate in this process especially cytotoxic T cells and natural killer cells, and cytokines including chemokines and tumor necrosis factor-α. Medicinal plants such as Glycyrrhiza glabra, Uncaria tomentosa, Camellia sinensis, Panax ginseng, Prunus armenaica (apricot), Allium sativum, Arctium lappa and Curcuma longa were reported to hold strong potential in breast cancer treatment in various parts of the world. Interestingly, research findings have shown that these plants possess bioactive immunomodulators as their main constituents producing the anticancer effects. These immunomodulatory compounds include ajoene, arctigenin, β-carotene, curcumin, epigallocatechin-3-gallate, ginsan, glabridin and quinic acid. In this review, we discussed the ability of these eight immunomodulators in regulating the immune system potentially applicable in breast cancer treatment via anti-inflammatory (curcumin, arctigenin, glabridin and ajoene) and lymphocytes activation (β-carotene, epigallocatechin-3-gallate, quinic acid and ginsan) properties, as well as future research direction in their use for breast cancer treatment. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  17. Atomic and molecular physics of plasma-based environmental technologies for abatement of volatile organic compounds

    International Nuclear Information System (INIS)

    Penetrante, B.M.; Hsiao, M.C.; Bardsley, J.N.; Merrit, B.T.; Vogtlin, G.E.; Kuthi, A.; Burkhart, C.P.; Bayless, J.R.

    1996-01-01

    Non-thermal plasma techniques represent a new generation of air emission control technology that potentially could treat large-volume emissions containing dilute concentrations of volatile organic compounds (VOCs). In order to apply non-thermal in an industrial scale, it is important to establish the electrical power requirements and byproducts of the process. There is a need for reliable data concerning the primary decomposition mechanisms and subsequent chemical kinetics associated with non-thermal plasma processing of VOCs. There are many basic atomic and molecular physics issues that are essential in evaluating the economic performance of non-thermal plasma reactor. These studies are important in understanding how the input electrical power is dissipated in the plasma and how efficiency it is converted to the production of the plasma species (radicals, ions or electrons) responsible for the decomposition of the VOCs. This paper presents results from basic experimental and theoretical studied aimed at identifying the reaction mechanisms responsible for the primary decomposition of various types of VOCs. (Authors)

  18. A new type of magnetocaloric composite based on conductive polymer and magnetocaloric compound

    Energy Technology Data Exchange (ETDEWEB)

    Imamura, W., E-mail: williamimamura@yahoo.com.br [State University of Maringá (UEM)/Department of Mechanical Engineering (DEM-PEM), 87020-900 Maringá, PR (Brazil); Coelho, A.A. [State University of Campinas (Unicamp)/Department of Applied Physics (DFA-IFGW), 13083-859 Campinas, SP (Brazil); Kupfer, V.L. [State University of Maringá (UEM)/Department of Chemistry (DQI-LMSen), 87020-900 Maringá, PR (Brazil); Carvalho, A.M.G. [Brazilian Synchrotron Light Laboratory (LNLS)/Brazilian Center for Research in Energy and Materials (CNPEM), C. P. 6192, 13083-970 Campinas, SP (Brazil); Zago, J.G. [State University of Maringá (UEM)/Department of Mechanical Engineering (DEM-PEM), 87020-900 Maringá, PR (Brazil); Rinaldi, A.W. [State University of Maringá (UEM)/Department of Chemistry (DQI-LMSen), 87020-900 Maringá, PR (Brazil); Favaro, S.L.; Alves, C.S. [State University of Maringá (UEM)/Department of Mechanical Engineering (DEM-PEM), 87020-900 Maringá, PR (Brazil)

    2017-03-01

    We introduce a processing route of the first magnetocaloric composite with conductive polymer – wherein the magnetocaloric reinforcement is a compound Gd{sub 5.09}Ge{sub 2.03}Si{sub 1.88} and the ductile matrix is a conductive polymer polyaniline doped by camphorsulfonic acid (PAni-CSA). This new type of composite combines mechanical, electrical and magnetocaloric properties that can be applied in thermomagnetic machines. - Highlights: • We developed a new type of magnetocaloric composite: PAni-CSA/Gd5.09Ge2.03Si1.88. • We presented a processing route which use a conductive polymer instead of epoxy resins or thermoplastic polymers. • We varied the concentration of PAni-CSA (numerical type) and sintering (categorical type). • We analyzed the matrix (PAni-CSA), the magnetocaloric reinforcement (Gd5.09Ge2.03Si1.88) and the composites. • We presented and discussed mechanical, electrical and magnetocaloric properties.

  19. A new type of magnetocaloric composite based on conductive polymer and magnetocaloric compound

    International Nuclear Information System (INIS)

    Imamura, W.; Coelho, A.A.; Kupfer, V.L.; Carvalho, A.M.G.; Zago, J.G.; Rinaldi, A.W.; Favaro, S.L.; Alves, C.S.

    2017-01-01

    We introduce a processing route of the first magnetocaloric composite with conductive polymer – wherein the magnetocaloric reinforcement is a compound Gd_5_._0_9Ge_2_._0_3Si_1_._8_8 and the ductile matrix is a conductive polymer polyaniline doped by camphorsulfonic acid (PAni-CSA). This new type of composite combines mechanical, electrical and magnetocaloric properties that can be applied in thermomagnetic machines. - Highlights: • We developed a new type of magnetocaloric composite: PAni-CSA/Gd5.09Ge2.03Si1.88. • We presented a processing route which use a conductive polymer instead of epoxy resins or thermoplastic polymers. • We varied the concentration of PAni-CSA (numerical type) and sintering (categorical type). • We analyzed the matrix (PAni-CSA), the magnetocaloric reinforcement (Gd5.09Ge2.03Si1.88) and the composites. • We presented and discussed mechanical, electrical and magnetocaloric properties.

  20. Thermodynamic and kinetic study of volatile compounds in biopolymer based dispersions.

    Science.gov (United States)

    Samavati, Vahid; Emam-Djomeh, Zahra; Mehdinia, Ali

    2014-01-01

    Partitioning and release of ethyl acetate and diacetyl from two matrices with a different composition was studied by applying static head space gas chromatography. Two matrices with a different composition have been developed: one containing carbohydrates (Tragacanth gum) and in the second one, called complex matrix, a lipid (oleic acid) was added. The roles of carbohydrate (Tragacanth gum) and lipid (oleic acid) on the retention of all the aroma compounds were pointed out. Changes in the composition of matrices exhibited a considerable effect on the thermodynamic component as expressed by the air/liquid partition coefficient (Ka/l) values at equilibrium (20 °C). The kinetic study of the release from these matrices had shown a decrease of the initial rate of release (Ri) by reference with water. The rheological properties of all matrices were investigated and the flow behaviour of all matrices was successfully modelled with power law and Ellis models and power law model was found as the better model to describe the flow behaviour of dispersions. Copyright © 2013 Elsevier Ltd. All rights reserved.

  1. Photometric investigation of tungsten (6) reaction with monoazo compound based on pyrogallol

    International Nuclear Information System (INIS)

    Gambarov, D.G.; Gusejnov, A.G.

    1980-01-01

    The possibility has been studied to use a new monoazo compound 2,3,4-trihydroxy-4'-sulfoazobenzene (TSAB) for the photometric determination of tungsten in steels. The maximum yield of W(6) complex is observed in the interval from 0.3 NHCl to pH2. The maximum absorption of the complex is observed at 460 nm and that of reagent - at 380 nm. The complex coloring immediately develops and in stable for more than one day. Molar coefficient of complex extinctior equals 43000+-300. Tungsten concentration interval being determined in 0.3 N HCl is 10-140 μg/25 ml. Tungsten determination technique in chromium-nickel-tungsten and chromium-silicon-nickel steels is given. If steel samples contain Mo > 0.1 mg, Y > 0.2 mg, Zr > 1.0 mg, Fe > 0.03 mg and Si > 0.3 mg then it is necessary to separate Mo, Y and Zr beforehand. Fe and Si are respectively well camouflaged by ascorbic acid and EDTA

  2. Self-assembly of novel manganese (II) compounds based on bifunctional-group ligands: Synthesis, structures, and magnetic properties

    Science.gov (United States)

    Yan, Juan-zhi; Lu, Li-ping; Zhu, Miao-li; Feng, Si-si

    2018-06-01

    Four manganese (II) compounds are obtained by the reaction of manganese salts, triazole-derivatives and auxiliary reagents in aqueous solution or mix-solvents by routine or hydrothermal reactions. X-ray crystal structure analyses reveal that a neutral 0D compound [Mn(Hmctrz)2(H2O)2] (1) (H2mctrz = 1H-1,2,4-triazole-3-carboxylic acid) displays a centro-symmetric mononuclear octahedral entity with two Hmctrz- anions and two water molecules; two neutral 2D clusters [Mn(Hdctrz)(H2O)2]n (2) (H3dctrz = 1H-1,2,4-triazole-3,5-dicarboxylic acid) and [Mn2(pbtrz)(btca)]n·4nH2O (3) (pbtrz = 1,3-bis(1,2,4-triazol-1-yl)-propane&H4btca = benzene-1,2,4,5-tetracarboxylic acid) possess layer structures with Hdctrz2- linkers (2) and Mn(II)-pbtrz-Mn(II) building blocks periodically extended by μ-btca4- connectors (3); [Mn(pbtrz)]n·nOAc·nOH (4) shows a 3D diamond-shaped cationic framework with the anion void volume of 49.2%. Nitrogenous bases are used as the auxiliary ligand in compound 3 and the temple ligand in compounds 1, 2, and 4. Compounds 1-4 show antiferromagnetic coupling that has been fitted by different models with the molecular field approximate with D = - 0.129(1) cm-1 for 1, J = - 0.354(4) cm-1 for 2 and J = - 0.696(6) cm-1 for 3, respectively. The magnetic differences can be related to different superexchange interactions transmitted by the crystal lattice and/or the zero field splitting (ZFS) of the 6A1g single-ion states of 1 and the syn-anti-COO- of 2 as well as the mixed magnetic bridges of μ1-O and μ-pbtrz-μ-COO- of 3.

  3. Giant negative thermal expansion in bonded MnCoGe-based compounds with Ni2In-type hexagonal structure.

    Science.gov (United States)

    Zhao, Ying-Ying; Hu, Feng-Xia; Bao, Li-Fu; Wang, Jing; Wu, Hui; Huang, Qing-Zhen; Wu, Rong-Rong; Liu, Yao; Shen, Fei-Ran; Kuang, Hao; Zhang, Ming; Zuo, Wen-Liang; Zheng, Xin-Qi; Sun, Ji-Rong; Shen, Bao-Gen

    2015-02-11

    MnCoGe-based compounds undergo a giant negative thermal expansion (NTE) during the martensitic structural transition from Ni2In-type hexagonal to TiNiSi-type orthorhombic structure. High-resolution neutron diffraction experiments revealed that the expansion of unit cell volume can be as large as ΔV/V ∼ 3.9%. The optimized compositions with concurrent magnetic and structural transitions have been studied for magnetocaloric effect. However, these materials have not been considered as NTE materials partially due to the limited temperature window of phase transition. The as-prepared MnCoGe-based compounds are quite brittle and naturally collapse into powders. By using a few percents (3-4%) of epoxy to bond the powders, we introduced residual stress in the bonded samples and thus realized the broadening of structural transition by utilizing the specific characteristics of lattice softening enforced by the stress. As a result, giant NTE (not only the linear NTE coefficient α but also the operation-temperature window) has been achieved. For example, the average α̅ as much as -51.5 × 10(-6)/K with an operating temperature window as wide as 210 K from 122 to 332 K has been observed in a bonded MnCo0.98Cr0.02Ge compound. Moreover, in the region between 250 and 305 K near room temperature, the α value (-119 × 10(-6)/K) remains nearly independent of temperature. Such an excellent performance exceeds that of most other materials reported previously, suggesting it can potentially be used as a NTE material, particularly for compensating the materials with large positive thermal expansions.

  4. Synthesis of Apoptotic New Quinazolinone-Based Compound and Identification of its Underlying Mitochondrial Signalling Pathway in Breast Cancer Cells.

    Science.gov (United States)

    Zahedifard, Maryam; Faraj, Fadhil Lafta; Paydar, Mohammadjavad; Looi, Chung Yeng; Hasandarvish, Pouya; Hajrezaie, Maryam; Kamalidehghan, Behnam; Majid, Nazia Abdul; Khalifa, Shaden A M; Ali, Hapipah Mohd; Abdulla, Mahmood Ameen; El-Seedi, Hesham R

    2015-01-01

    The anti-carcinogenic effect of the new quinazolinone compound, named MMD, was tested on MCF-7 human breast cancer cell line. The synthesis of quinazolinone-based compounds attracted strong attention over the past few decades as an alternative mean to produce analogues of natural products. Quinazolinone compounds sharing the main principal core structures are currently introduced in the clinical trials and pharmaceutical markets as anti-cancer agents. Thus, it is of high clinical interest to identify a new drug that could be used to control the growth and expansion of cancer cells. Quinazolinone is a metabolite derivative resulting from the conjugation of 2-aminobenzoyhydrazide and 5-methoxy-2- hydroxybenzaldehyde based on condensation reactions. In the present study, we analysed the influence of MMD on breast cancer adenoma cell morphology, cell cycle arrest, DNA fragmentation, cytochrome c release and caspases activity. MCF-7 is a type of cell line representing the breast cancer adenoma cells that can be expanded and differentiated in culture. Using different in vitro strategies and specific antibodies, we demonstrate a novel role for MMD in the inhibition of cell proliferation and initiation of the programmed cell death. MMD was found to increase cytochrome c release from the mitochondria to the cytosol and this effect was enhanced over time with effective IC50 value of 5.85 ± 0.71 μg/mL detected in a 72-hours treatment. Additionally, MMD induced cell cycle arrest at G0/G1 phase and caused DNA fragmentation with obvious activation of caspase-9 and caspases-3/7. Our results demonstrate a novel role of MMD as an anti-proliferative agent and imply the involvement of mitochondrial intrinsic pathway in the observed apoptosis.

  5. Laser created thin films sensors based on Sn- and indium compounds

    Czech Academy of Sciences Publication Activity Database

    Myslík, V.; Vysloužil, F.; Vrňata, M.; Fryček, R.; Jelínek, Miroslav; Lančok, Ján

    2002-01-01

    Roč. 12, č. 2 (2002), s. 329-333 ISSN 1054-660X Institutional research plan: CEZ:AV0Z1010921 Keywords : PLD * Sn-based thin films * In-based thin films Subject RIV: BH - Optics, Masers, Lasers Impact factor: 0.798, year: 2002

  6. Fate of the sunscreen compound oxybenzone in Cyperus alternifolius based hydroponic culture: Uptake, biotransformation and phytotoxicity.

    Science.gov (United States)

    Chen, Feiran; Huber, Christian; Schröder, Peter

    2017-09-01

    Oxybenzone (OBZ), a common ingredient in sunscreens and personal care products, has been frequently detected in effluents from municipal wastewater treatment plants and also in surface waters. OBZ is an emerging contaminant due to its adverse impacts on marine/aquatic ecosystems. To investigate the removal and degradation capacity of phytotreatment for OBZ, the common wetland plant species Cyperus alternifolius L. was exposed to this compound at 5, 25 and 50 μM for 120 h, respectively. Continuous uptake by roots and accumulation in plant tissues was observed over the exposure time, and depletion of spiked OBZ from the aqueous medium exceeded 73.9 ± 9.1% after 120 h. Similar to its fate in mammalian cells, OBZ is activated in a phase I reaction resulting in the hydroxylated metabolite 2,4-dihydroxybenzophenone (DHB). Independently, two phase II metabolites were identified as oxybenzone-glucoside (OBZ-Glu) and oxybenzone-(6-O-malonyl)-glucoside (OBZ-Mal-Glu) by LC-MS/MS. Formation of these metabolites increased over the experimental period. To our knowledge this is the first time that DHB, OBZ-Glu and OBZ-Mal-Glu are shown to be formed in higher plant tissues. Furthermore, plant defense systems-antioxidative enzymes (SOD, CAT, APOX and POX) were found to be elevated to counteract stress caused by exposure to OBZ. This study presents the huge potential of aquatic plants to cope with benzophenone type UV filters in contaminated water bodies. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Sensitive amperometric biosensor for phenolic compounds based on graphene-silk peptide/tyrosinase composite nanointerface.

    Science.gov (United States)

    Qu, Ying; Ma, Ming; Wang, Zhengguo; Zhan, Guoqing; Li, Buhai; Wang, Xian; Fang, Huaifang; Zhang, Huijuan; Li, Chunya

    2013-06-15

    New graphene-silk peptide (Gr-SP) nanosheets were prepared and successfully fabricated with tyrosinase (Tyr) as a novel biosensor for the determination of phenolic compounds. The Gr-SP nanosheets were fully characterized with transmission electron microscopy, x-ray diffraction, x-ray photoelectron spectroscopy, UV/Vis and FTIR spectra. The developed biosensors were also characterized with scanning electronic microscopy and electrochemical impedance spectroscopy. Using bisphenol A (BPA) as a model substrate in the sensing system, a number of key factors including the volume of Gr-SP-Tyr solution, the applied potential, pH values, temperature, and the Tyr/Gr-SP ratio that influence the analytical performance of the biosensor were investigated. The biosensor gave a linear response on the concentration ranges of 0.001-16.91 μM for catechol with the sensitivity of 7634 mA M(-1)cm(-2), 0.0015-21.12 μM for phenol with the sensitivity of 4082 mA M(-1)cm(-2), and 0.002-5.48 μM for BPA with the sensitivity of 2511 mA M(-1)cm(-2). The low detection limits were estimated to be 0.23, 0.35 and 0.72 nM (S/N=3) for catechol, phenol and BPA, respectively. The biosensors also exhibit good repeatability and long-term stability. The practical application of the biosensor was also demonstrated by the determination of BPA leaching from commercial plastic drinking bottles. Copyright © 2013 Elsevier B.V. All rights reserved.

  8. Heavy-fermion behaviour and superconductivity of UPt3-based compounds

    International Nuclear Information System (INIS)

    Sprang, M. van.

    1989-01-01

    This thesis presents an experimental study of the low-temperature properties of the heavy-fermion superconductor UPt 3 and some related compounds, by measuring new properties or extending the variation of external parameters. In ch. 1 detailed information on the crystallographic structure of UPt 3 is presented. In ch. 2 the theory of the single-impurity Kondo effect is described, including the predictions for the physical properties and the parameters involved with it. The theoretical implications are extended to the case where the amount of magnetic impurities is so large that one cannot speak anymore of single-impurity (non-interacting) systems. The interactions lead to a state with quite different properties and can eventually lead to a coherent state when the magnetic moment distribution has the lattice periodicity. This is believed to be the case for UPt 3 , since the magnetic moments are present in very unit cell. Ch. 3 offers basic information on the experiments: sample preparation, characterization and measuring techniques are discussed. Ch. 4 deals with the thermal properties. The results of specific heat and thermal expansion experiments on UPt 3 , U(Pt 1-x Pd x ) 3 and UPt 3 B x are presented. With the use of the results the Grueneisen analysis is applied. The consequences for the interpretation in terms of the Kondo model are discussed. Ch. 5 discusses the transport and magnetic properties of the normal state. Results for UPt 3 as well as for the alloyed systems are presented and are, if possible, compared with the results obtained in the Kondo model. Ch. 6 deals with the superconducting state. Resistivity experiments are used to obtain the superconducting transition temperature; the influence of added impurities is investigated. Pd atoms (replacing Pt) are used as impurity, but also boron and carbon are interstitially alloyed. (author). 136 refs.; 105 figs.; 15 tabs

  9. On the effect of Nb-based compounds on the microstructure of Al–12Si alloy

    Energy Technology Data Exchange (ETDEWEB)

    Bolzoni, L., E-mail: leandro.bolzoni@brunel.ac.uk; Nowak, M.; Hari Babu, N.

    2015-07-15

    Cast Al alloys are important structural materials for the lightweighting of cars and, consequently, reduction of greenhouse gases emission and pollution. The microstructure and properties of cast Al alloys could be further improved by means of grain refinement, practise which cannot efficiently be performed with common Al–Ti–B grain refiners used for wrought Al alloys. In this work we proposed the employment of Nb+B inoculation as an alternative for the refinement of the primary α-Al dendrites of cast Al–Si alloy by studying the grain refinement induced by the Nb+B inoculants as a function of key aspects such as cooling rate, fading behaviour and simulated recyclability tests. It is found that the grain size of the Nb+B inoculated material is noticeably less sensitive to the cooling rate. Nb+B inoculants are still present and promote the refinement of the Al–12Si alloy even after few hours of contact time, although some fading is detected. Furthermore, Nb+B inoculants are also still effective for enhancing heterogeneous nucleation after three remelting of the inoculated alloy. The fading behaviour and ability to retain grain refining potency after remelting are highly relevant to industrial scale applications. - Highlights: • The influence of Nb+B inoculation on Al–12SSi is assessed. • The grain size decreases along with the amount of Nb+B compounds. • Nb+B inoculation makes the grain size less sensitive from the cooling rate. • Grain refinement is obtained via heterogeneous nucleation.

  10. On the effect of Nb-based compounds on the microstructure of Al–12Si alloy

    International Nuclear Information System (INIS)

    Bolzoni, L.; Nowak, M.; Hari Babu, N.

    2015-01-01

    Cast Al alloys are important structural materials for the lightweighting of cars and, consequently, reduction of greenhouse gases emission and pollution. The microstructure and properties of cast Al alloys could be further improved by means of grain refinement, practise which cannot efficiently be performed with common Al–Ti–B grain refiners used for wrought Al alloys. In this work we proposed the employment of Nb+B inoculation as an alternative for the refinement of the primary α-Al dendrites of cast Al–Si alloy by studying the grain refinement induced by the Nb+B inoculants as a function of key aspects such as cooling rate, fading behaviour and simulated recyclability tests. It is found that the grain size of the Nb+B inoculated material is noticeably less sensitive to the cooling rate. Nb+B inoculants are still present and promote the refinement of the Al–12Si alloy even after few hours of contact time, although some fading is detected. Furthermore, Nb+B inoculants are also still effective for enhancing heterogeneous nucleation after three remelting of the inoculated alloy. The fading behaviour and ability to retain grain refining potency after remelting are highly relevant to industrial scale applications. - Highlights: • The influence of Nb+B inoculation on Al–12SSi is assessed. • The grain size decreases along with the amount of Nb+B compounds. • Nb+B inoculation makes the grain size less sensitive from the cooling rate. • Grain refinement is obtained via heterogeneous nucleation

  11. Identification of compounds with anti-proliferative activity against Trypanosoma brucei brucei strain 427 by a whole cell viability based HTS campaign.

    Directory of Open Access Journals (Sweden)

    Melissa L Sykes

    Full Text Available Human African Trypanosomiasis (HAT is caused by two trypanosome sub-species, Trypanosoma brucei rhodesiense and Trypanosoma brucei gambiense. Drugs available for the treatment of HAT have significant issues related to difficult administration regimes and limited efficacy across species and disease stages. Hence, there is considerable need to find new alternative and less toxic drugs. An approach to identify starting points for new drug candidates is high throughput screening (HTS of large compound library collections. We describe the application of an Alamar Blue based, 384-well HTS assay to screen a library of 87,296 compounds against the related trypanosome subspecies, Trypanosoma brucei brucei bloodstream form lister 427. Primary hits identified against T.b. brucei were retested and the IC(50 value compounds were estimated for T.b. brucei and a mammalian cell line HEK293, to determine a selectivity index for each compound. The screening campaign identified 205 compounds with greater than 10 times selectivity against T.b. brucei. Cluster analysis of these compounds, taking into account chemical and structural properties required for drug-like compounds, afforded a panel of eight compounds for further biological analysis. These compounds had IC(50 values ranging from 0.22 µM to 4 µM with associated selectivity indices ranging from 19 to greater than 345. Further testing against T.b. rhodesiense led to the selection of 6 compounds from 5 new chemical classes with activity against the causative species of HAT, which can be considered potential candidates for HAT early drug discovery. Structure activity relationship (SAR mining revealed components of those hit compound structures that may be important for biological activity. Four of these compounds have undergone further testing to 1 determine whether they are cidal or static in vitro at the minimum inhibitory concentration (MIC, and 2 estimate the time to kill.

  12. Is the staple diet eaten in Medawachchiya, Sri Lanka, a predisposing factor in the development of chronic kidney disease of unknown etiology? - A comparison based on urinary β2-microglobulin measurements.

    Science.gov (United States)

    Siriwardhana, E A Ranga I E; Perera, Ponnumperuma A J; Sivakanesan, Ramiah; Abeysekara, Thilak; Nugegoda, Danaseela B; Weerakoon, Kosala G A D

    2014-07-02

    Exact mechanism of causation of chronic kidney disease of unknown etiology (CKDu) in Sri Lanka is not described to date, despite the identification of possible multiple risk factors. Questions have been raised as to why only some are affected while others remain intact, though they are inhabitants of the same locality. Comparative studies were carried out, assessing urinary β2 microglobulin (β2m) and the dietary patterns of CKDu patients and age sex matched non-CKDu subjects. Urinary β2m levels of spot urine samples were analyzed using the Enzyme-linked Immunosorbent assay (ELISA) and dietary patterns were studied using twenty four hour dietary recalls and frequency consumption of foods of animal origin performed on three occasions at six months intervals within a period of one and half years. The mean urinary β2m level of CKDu patients from Medawachchiya was significantly (pCKDu subjects. The mean urinary β2m level of the non-CKDu subjects was within the reference limits for spot urine samples (0 - 0.3 μg/mL). White raw rice was the staple diet of both CKDu patients and non-CKDu subjects and the level of consumption was almost the same. The consumption of fresh water fish products of CKDu patients under high (14, 14%), moderate (36, 36%), low (26, 26%) and less (20, 20%) categories did not show significant variations (p>0.05) compared to non-CKDu subjects. Staple food in diet and the consumption pattern of CKDu patients from Medawachchiya were similar to that of non-CKDu subjects from the same area despite their urinary β2m concentration being significantly higher.

  13. Reactivity-based industrial volatile organic compounds emission inventory and its implications for ozone control strategies in China

    Science.gov (United States)

    Liang, Xiaoming; Chen, Xiaofang; Zhang, Jiani; Shi, Tianli; Sun, Xibo; Fan, Liya; Wang, Liming; Ye, Daiqi

    2017-08-01

    Increasingly serious ozone (O3) pollution, along with decreasing NOx emission, is creating a big challenge in the control of volatile organic compounds (VOCs) in China. More efficient and effective measures are assuredly needed for controlling VOCs. In this study, a reactivity-based industrial VOCs emission inventory was established in China based on the concept of ozone formation potential (OFP). Key VOCs species, major VOCs sources, and dominant regions with high reactivity were identified. Our results show that the top 15 OFP-based species, including m/p-xylene, toluene, propene, o-xylene, and ethyl benzene, contribute 69% of the total OFP but only 30% of the total emission. The architectural decoration industry, oil refinery industry, storage and transport, and seven other sources constituted the top 10 OFP subsectors, together contributing a total of 85%. The provincial and spatial characteristics of OFP are generally consistent with those of mass-based inventory. The implications for O3 control strategies in China are discussed. We propose a reactivity-based national definition of VOCs and low-reactive substitution strategies, combined with evaluations of health risks. Priority should be given to the top 15 or more species with high reactivity through their major emission sources. Reactivity-based policies should be flexibly applied for O3 mitigation based on the sensitivity of O3 formation conditions.

  14. Learning Unknown Structure in CRFs via Adaptive Gradient Projection Method

    Directory of Open Access Journals (Sweden)

    Wei Xue

    2016-08-01

    Full Text Available We study the problem of fitting probabilistic graphical models to the given data when the structure is not known. More specifically, we focus on learning unknown structure in conditional random fields, especially learning both the structure and parameters of a conditional random field model simultaneously. To do this, we first formulate the learning problem as a convex minimization problem by adding an l_2-regularization to the node parameters and a group l_1-regularization to the edge parameters, and then a gradient-based projection method is proposed to solve it which combines an adaptive stepsize selection strategy with a nonmonotone line search. Extensive simulation experiments are presented to show the performance of our approach in solving unknown structure learning problems.

  15. Rare earth-based quaternary Heusler compounds MCoVZ (M = Lu, Y; Z = Si, Ge with tunable band characteristics for potential spintronic applications

    Directory of Open Access Journals (Sweden)

    Xiaotian Wang

    2017-11-01

    Full Text Available Magnetic Heusler compounds (MHCs have recently attracted great attention since these types of material provide novel functionalities in spintronic and magneto-electronic devices. Among the MHCs, some compounds have been predicted to be spin-filter semiconductors [also called magnetic semiconductors (MSs], spin-gapless semiconductors (SGSs or half-metals (HMs. In this work, by means of first-principles calculations, it is demonstrated that rare earth-based equiatomic quaternary Heusler (EQH compounds with the formula MCoVZ (M = Lu, Y; Z = Si, Ge are new spin-filter semiconductors with total magnetic moments of 3 µB. Furthermore, under uniform strain, there are physical transitions from spin-filter semiconductor (MS → SGS → HM for EQH compounds with the formula LuCoVZ, and from HM → SGS → MS → SGS → HM for EQH compounds with the formula YCoVZ. Remarkably, for YCoVZ EQH compounds there are not only diverse physical transitions, but also different types of spin-gapless feature that can be observed with changing lattice constants. The structural stability of these four EQH compounds is also examined from the points of view of formation energy, cohesive energy and mechanical behaviour. This work is likely to inspire consideration of rare earth-based EQH compounds for application in future spintronic and magneto-electronic devices.

  16. Adresse inconnue / Address unknown / Suchwiin Bulmyeong

    Directory of Open Access Journals (Sweden)

    Serge Gruzinski

    2005-03-01

    Full Text Available Tous les films asiatiques parlent de métissage, même ceux qui se présentent comme de vastes fresques historiques perdues dans le temps. Les emprunts aux traditions hollywoodiennes et européennes n'ont cessé d'enrichir une cinématographie aussi ancienne que celle du monde occidental. Dans Adresse inconnue (Address unknown le cinéaste coréen Kim Ki-duk explore l'expérience du métissage et le corps du métis à la frontière entre Corée du Nord et Corée du sud. Fils d'un GI américain et noir et d...

  17. Adresse inconnue / Address unknown / Suchwiin Bulmyeong

    OpenAIRE

    Serge Gruzinski

    2005-01-01

    Tous les films asiatiques parlent de métissage, même ceux qui se présentent comme de vastes fresques historiques perdues dans le temps. Les emprunts aux traditions hollywoodiennes et européennes n'ont cessé d'enrichir une cinématographie aussi ancienne que celle du monde occidental. Dans Adresse inconnue (Address unknown) le cinéaste coréen Kim Ki-duk explore l'expérience du métissage et le corps du métis à la frontière entre Corée du Nord et Corée du sud. Fils d'un GI américain et noir et d'...

  18. The Unknown Component Problem Theory and Applications

    CERN Document Server

    Villa, Tiziano; Brayton, Robert K; Mishchenko, Alan; Petrenko, Alexandre; Sangiovanni-Vincentelli, Alberto

    2012-01-01

    The Problem of the Unknown Component: Theory and Applications addresses the issue of designing a component that, combined with a known part of a system, conforms to an overall specification. The authors tackle this problem by solving abstract equations over a language. The most general solutions are studied when both synchronous and parallel composition operators are used. The abstract equations are specialized to languages associated with important classes of automata used for modeling systems. The book is a blend of theory and practice, which includes a description of a software package with applications to sequential synthesis of finite state machines. Specific topologies interconnecting the components, exact and heuristic techniques, and optimization scenarios are studied. Finally the scope is enlarged to domains like testing, supervisory control, game theory and synthesis for special omega languages. The authors present original results of the authors along with an overview of existing ones.

  19. Carcinomatous Meningitis from Unknown Primary Carcinoma

    Directory of Open Access Journals (Sweden)

    L. Favier

    2009-10-01

    Full Text Available Carcinomatous meningitis (CM occurs in 3 to 8% of cancer patients. Patients present with a focal symptom, and multifocal signs are often found following neurological examination. The gold standard for diagnosis remains the demonstration of carcinomatous cells in the cerebrospinal fluid on cytopathological examination. Despite the poor prognosis, palliative treatment could improve quality of life and, in some cases, overall survival. We report on a patient who presented with vertigo, tinnitus and left-sided hearing loss followed by progressive diffuse facial nerve paralysis. Lumbar cerebrospinal fluid confirmed the diagnosis of CM. However, no primary tumor was discovered, even after multiple invasive investigations. This is the first reported case in the English-language medical literature of CM resulting from a carcinoma of unknown primary origin.

  20. Education Through Exploration: Evaluating the Unknown

    Science.gov (United States)

    Anbar, A. D.

    2015-12-01

    Mastery of the peculiar and powerful practices of science is increasingly important for the average citizen. With the rise of the Internet, most of human knowledge is at our fingertips. As content becomes a commodity, success and survival aren't about who knows the most, but who is better able to explore the unknown, actively applying and extending knowledge through critical thinking and hypothesis-driven problem-solving. This applies to the economic livelihoods of individuals and to society at large as we grapple with climate change and other science-infused challenges. Unfortunately, science is too often taught as an encyclopedic collection of settled facts to be mastered rather than as a process of exploration that embraces curiosity, inquiry, testing, and communication to reduce uncertainty about the unknown. This problem is exacerbated by the continued prevalence of teacher-centric pedagogy, which promotes learning-from-authority and passive learning. The initial wave of massively open online courses (MOOCs) generally mimic this teaching style in virtual form. It is hypothesized that emerging digital teaching technologies can help address this challenge at Internet scale in "next generation" MOOCs and flipped classroom experiences. Interactive simulations, immersive virtual field trips, gamified elements, rapid adaptive feedback, intelligent tutoring systems, and personalized pathways, should motivate and enhance learning. Through lab-like projects and tutorials, students should be able to construct knowledge from interactive experiences, modeling the authentic practice of science while mastering complex concepts. Freed from lecturing, teaching staff should be available for direct and intense student-teacher interactions. These claims are difficult to evaluate with traditional assessment instruments, but digital technologies provide powerful new ways to evaluate student learning and learn from student behaviors. We will describe ongoing experiences with such

  1. Production and characterization of compounds based on MgB4O7 for application in dosimetry

    International Nuclear Information System (INIS)

    Souza, Luiza Freire de

    2016-01-01

    Many materials with luminescent properties are used for ionizing radiation dosimetry through the thermoluminescence (TL) and optically stimulated luminescence (OSL) techniques. Detectors based on lithium fluoride (LiF), calcium sulphate (CaSO 4 ) and aluminum oxide (Al 2 O 3 ), doped or codoped with various elements, are the TL or OSL commercial dosimeters most widely used currently. However, several researches are focused to the development of new TL /OSL materials in intention to enhance the dosimetric properties, in view that no TL/OSL dosimeter has all the ideal characteristics for monitoring the radiation. In this context, magnesium tetraborate (MgB 4 O 7 ), which has been presented in the literature as a material for dosimetry TL, was investigated in this work. As there are no reports on the structural characterization of this material or regarding to its applicability on OSL dosimetry, the proposal of the present work was to develop compounds based on MgB 4 O 7 , with different doping, by solid state synthesis. It was made the structural, optical, TL and OSL characterization of the compound to verify it feasibility for application on radiation dosimetry. Initially, it was determined the calcination temperature and time for MgB 4 O 7 formation, with the use of thermal analyses and x ray diffraction. The ideal calcination was found at 900 °C for 7 hours. It were produced , in powder form, the compounds: MgB 4 O 7 , MgB 4 O 7 :Dy, MgB 4 O 7 :Dy,Li, MgB 4 O 7 :Ce, MgB 4 O 7 :Ce,Li, MgB 4 O 7 :Nd and MgB 4 O 7 :Nd,Li. For TL and OSL analyses it were produced pellets sintering at 950 °C for 2 hours. The radioluminescence (RL) analyses of MgB 4 O 7 :Dy and MgB 4 O 7 :Dy,Li shows wavelength emissions at 490, 590, 670 and 760 nm. For MgB 4 O 7 :Ce and MgB 4 O 7 :Ce,Li RL was observed wide emission band in the ultraviolet region. For the MgB 4 O 7 :Nd and MgB 4 O 7 :Nd,Li RL were not observed emission from the ultraviolet to infrared. With the results obtained from

  2. Smart Dressings Based on Nanostructured Fibers Containing Natural Origin Antimicrobial, Anti-Inflammatory, and Regenerative Compounds

    Directory of Open Access Journals (Sweden)

    Vanesa Andreu

    2015-08-01

    Full Text Available A fast and effective wound healing process would substantially decrease medical costs, wound care supplies, and hospitalization significantly improving the patients’ quality of life. The search for effective therapeutic approaches seems to be imperative in order to avoid the aggravation of chronic wounds. In spite of all the efforts that have been made during the recent years towards the development of artificial wound dressings, none of the currently available options combine all the requirements necessary for quick and optimal cutaneous regeneration. Therefore, technological advances in the area of temporary and permanent smart dressings for wound care are required. The development of nanoscience and nanotechnology can improve the materials and designs used in topical wound care in order to efficiently release antimicrobial, anti-inflammatory and regenerative compounds speeding up the endogenous healing process. Nanostructured dressings can overcome the limitations of the current coverings and, separately, natural origin components can also overcome the drawbacks of current antibiotics and antiseptics (mainly cytotoxicity, antibiotic resistance, and allergies. The combination of natural origin components with demonstrated antibiotic, regenerative, or anti-inflammatory properties together with nanostructured materials is a promising approach to fulfil all the requirements needed for the next generation of bioactive wound dressings. Microbially compromised wounds have been treated with different essential oils, honey, cationic peptides, aloe vera, plant extracts, and other natural origin occurring antimicrobial, anti-inflammatory, and regenerative components but the available evidence is limited and insufficient to be able to draw reliable conclusions and to extrapolate those findings to the clinical practice. The evidence and some promising preliminary results indicate that future comparative studies are justified but instead of talking about

  3. Multi-label classifier based on histogram of gradients for predicting the anatomical therapeutic chemical class/classes of a given compound.

    Science.gov (United States)

    Nanni, Loris; Brahnam, Sheryl

    2017-09-15

    Given an unknown compound, is it possible to predict its Anatomical Therapeutic Chemical class/classes? This is a challenging yet important problem since such a prediction could be used to deduce not only a compound's possible active ingredients but also its therapeutic, pharmacological and chemical properties, thereby substantially expediting the pace of drug development. The problem is challenging because some drugs and compounds belong to two or more ATC classes, making machine learning extremely difficult. In this article a multi-label classifier system is proposed that incorporates information about a compound's chemical-chemical interaction and its structural and fingerprint similarities to other compounds belonging to the different ATC classes. The proposed system reshapes a 1D feature vector to obtain a 2D matrix representation of the compound. This matrix is then described by a histogram of gradients that is fed into a Multi-Label Learning with Label-Specific Features classifier. Rigorous cross-validations demonstrate the superior prediction quality of this method compared with other state-of-the-art approaches developed for this problem, a superiority that is reflected particularly in the absolute true rate, the most important and harshest metric for assessing multi-label systems. The MATLAB code for replicating the experiments presented in this article is available at https://www.dropbox.com/s/7v1mey48tl9bfgz/ToolPaperATC.rar?dl=0 . loris.nanni@unipd.it. Supplementary data are available at Bioinformatics online. © The Author (2017). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com

  4. Ferromagnetic quantum criticality in the uranium-based ternary compounds URhSi, URhAl, and UCoAl

    International Nuclear Information System (INIS)

    Combier, Tristan

    2014-01-01

    In this thesis we explore the ferromagnetic quantum criticality in three uranium-based ternary compounds, by means of thermodynamical and transport measurements on single crystal samples, at low temperature and high pressure. URhSi and URhAl are itinerant ferromagnets, while UCoAl is a paramagnet being close to a ferromagnetic instability. All of them have Ising-type magnetic ordering. In the orthorhombic compound URhSi, we show that the Curie temperature decreases upon applying a magnetic field perpendicular to the easy magnetization axis, and a quantum phase transition is expected around 40 T. In the hexagonal system URhAl, we establish the pressure-temperature phase diagram for the first time, indicating a quantum phase transition around 5 GPa. In the isostructural compound UCoAl, we investigate the metamagnetic transition with measurements of magnetization, Hall effect, resistivity and X-ray magnetic circular dichroism. Some intriguing magnetic relaxation phenomena are observed, with step-like features. Hall effect and resistivity have been measured at dilution temperatures, under hydrostatic pressure up to 2.2 GPa and magnetic field up to 16 T. The metamagnetic transition terminates under pressure and magnetic field at a quantum critical endpoint. In this region, a strong effective mass enhancement occurs, and an intriguing difference between up and down field sweeps appears in transverse resistivity. This may be the signature of a new phase, supposedly linked to the relaxation phenomena observed in magnetic measurements, arising from frustration on the quasi-Kagome lattice of uranium atoms in this crystal structure. (author) [fr

  5. Optical chemical sensors for atmospheric pollutants based on nano porous materials: application to the formaldehyde and the other carbonyl compounds

    International Nuclear Information System (INIS)

    Paolacci, H.

    2006-12-01

    Formaldehyde, a well-identified indoor pollutant, was recently classified as carcinogenic. New regulations for the air quality are expected and therefore there is a need for low-cost sensors, sensitive and selective with a fast response time for the detection of formaldehyde at ppb level. In the present work, we had developed a chemical sensor based on nano-porous matrices doped with Fluoral-P and optical methods of detection. The nano-porous matrices, elaborated via the Sol-Gel process, display nano-pores whose cavity is tailored for the trapping of the targeted pollutant. They provide a first selectivity with the discrimination of the pollutants by their size. A second selectivity is obtained with a molecular probe, Fluoral-P, which reacts specifically with formaldehyde leading to the 3,5- di-acetyl-1,4-dihydro-lutidine (DDL). The kinetics of formation of DDL was studied as function of many parameters such as the concentration of Fluoral-P in the matrix, the pollutant content in gas mixture, the flow rate, the relative humidity of the gas mixtures and interference with other carbonylated compounds. The present chemical sensor can detect, via absorbance measurements, 2 ppb of formaldehyde within 30 min over a O to 60% relative humidity range. Moreover, to detect the total carbonylated compounds, we also explored the potentiality of a chemical sensor using, as a probe molecule, the 2'4-dinitro-phenyl-hydrazine which forms with these compounds the corresponding hydrazones derivatives. A patent was deposited for these two sensors. We have also developed a semi-miniaturized prototype for demonstration, using a flow cell, a miniaturized spectrophotometer, a light source and a lap-top. (author)

  6. Mo-based compounds for SiC-SiC joints

    Energy Technology Data Exchange (ETDEWEB)

    Magnani, G.; Beaulardi, L.; Mingazzini, C. [ENEA-Faenza (Italy). New Material Div.; Marmo, E. [Fabbricazioni Nucleari S.p.A., Bosco Mavengo (Italy)

    2002-07-01

    New method to joint silicon carbide-based material was developed. It was based on mixture composed mainly by molybdenum silicides. This mixture was tested as brazing mixture with several types of silicon carbide-based material. Microstructural examination of the joint showed that brazing mixture reacted with substrate to form silicon carbide on the surface, while two different molybdenum silicides were identified inside the joint (MoSi{sub 2} and Mo{sub 4.8}Si{sub 3}C{sub 0.6}). Preliminary oxidation tests performed by means of TGA showed high oxidation resistance of this joint over 1000 C making it very promising for high temperature application like ceramic heat exchanger. (orig.)

  7. Clinical studies with oral lipid based formulations of poorly soluble compounds

    DEFF Research Database (Denmark)

    Fatouros, Dimitrios; Karpf, Ditte M; Nielsen, Flemming S

    2007-01-01

    . Several drug products intended for oral administration have been marketed utilizing lipid and surfactant based formulations. Sandimmune((R)) and Sandimmune Neoral((R)) (cyclosporin A, Novartis), Norvir((R)) (ritonavir), and Fortovase((R)) (saquinavir) have been formulated in self-emulsifying drug delivery...... systems (SEDDS). This review summarizes published pharmacokinetic studies of orally administered lipid based formulations of poorly aqueous soluble drugs in human subjects. Special attention has been paid to the physicochemical characteristics of the formulations, when available and the impact...

  8. Study of the parameters of nanoscale layers in nanoheterostructures based on II–VI semiconductor compounds

    Energy Technology Data Exchange (ETDEWEB)

    Karavaev, M. B., E-mail: estonianchameleon@gmail.com; Kirilenko, D. A.; Ivanova, E. V.; Popova, T. B.; Sitnikova, A. A.; Sedova, I. V.; Zamoryanskaya, M. V. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation)

    2017-01-15

    Wide-gap ZnSe-based nanoheterostructures grown by molecular-beam epitaxy are studied by local cathodoluminescence and X-ray microanalysis. It is shown that the used methods allow nondestructive determination of the depth, elemental composition, and geometrical parameters of the nanoscale ZnCdSe layer. The accuracy of the results is verified by transmission electron microscopy. The research techniques are based on the possibility of varying the primary electron-beam energy, which results in changes in the regions of characteristic X-ray and cathodoluminescence generation.

  9. NR based curred latex material reclaimed with 2,2'-dibenzamidodiphenyldisulphide in truck tyre tread compound

    NARCIS (Netherlands)

    Rajan, V.V.; Dierkes, Wilma K.; Joseph, R.; Noordermeer, Jacobus W.M.

    2006-01-01

    It is observed that reclamation of natural rubber latex based rubber using 2,2'-dibenzamidodiphenyldisulphide as reclaiming agent is an optional methodology for recycling of waste latex rubber (WLR). For progressive replacement of virgin natural rubber by the reclaim, two alternatives curing system

  10. Targeting Aquaporin Function : Potent Inhibition of Aquaglyceroporin-3 by a Gold-Based Compound

    NARCIS (Netherlands)

    Martins, Ana Paula; Marrone, Alessandro; Ciancetta, Antonella; Galan Cobo, Ana; Echevarria, Miriam; Moura, Teresa F.; Re, Nazzareno; Casini, Angela; Soveral, Graca

    2012-01-01

    Aquaporins (AQPs) are membrane channels that conduct water and small solutes such as glycerol and are involved in many physiological functions. Aquaporin-based modulator drugs are predicted to be of broad potential utility in the treatment of several diseases. Until today few AQP inhibitors have

  11. Applicability of generic assays based on liquid chromatography–electrospray mass spectrometry to study in vitro metabolism of 55 structurally diverse compounds

    Directory of Open Access Journals (Sweden)

    Timo Rousu

    2010-08-01

    Full Text Available Liquid chromatography-mass spectrometry (LC/MS with generic gradient elution for a large number of chemically different compounds is a common approach in drug development, used to acquire a large amount of data in a short time frame for drug candidates. The analysis with non-optimised parameters however may lead to a poor method performance for many compounds, and contains a risk of losing important information. Here, generic electrospray-time-of-flight (ESI-TOF MS methods in various pH conditions were tested for 55 chemically diverse compounds (10 acids, 25 bases, 17 neutrals and 3 amphoterics, aiming to find best analytical conditions for each compound, for studies of in vitro metabolic properties in liver preparations. The effect of eluent pH and elution gradient strength on chromatographic performance and electrospray MS ionisation efficiency were examined for each compound. The data are evaluated how well the best generic approach could cover the analysis of test compounds and how many compounds would still need completely different analytical conditions after that. Aqueous mobile phase consisting of 0.05% acetic acid and 5 mM ammonium acetate (pH 4.4 showed the best general suitability for the analyses, showing adequate performance for metabolite profiling for 41 out of 55 compounds either in positive or negative ion mode. In positive ion mode, the main limitation of performance in various pH conditions was generally not the lack of ionisation, but rather the poor chromatographic performance (inadequate retention or poor peak shape, suggesting that more emphasis should be put in finding conditions providing best chromatographic performance, rather than highest ionisation properties. However, a single generic approach for a large number of different compounds is not likely to produce good results for all compounds. Preferably, at least two or three different conditions are needed for the coverage of a larger number of structurally diverse

  12. FRET-based biosensors for the detection and quantification of AI-2 class of quorum sensing compounds.

    Science.gov (United States)

    Rajamani, Sathish; Sayre, Richard

    2011-01-01

    Intercellular small molecular weight signaling molecules modulate a variety of biological functions in bacteria. One of the more complex behaviors mediated by intercellular signaling molecules is the suite of activities regulated by quorum sensing molecules. These molecules mediate a variety of population-dependent responses, including the expression of genes that regulate bioluminescence, type III secretion, siderophore production, colony morphology, biofilm formation, and metalloprotease production. Given their central role in regulating these responses, the detection and quantification of QS molecules has important practical implications. Until recently, the detection of QS molecules from Gram-negative bacteria has relied primarily on bacterial reporter systems. These bioassays though immensely useful are subject to interference by compounds that affect bacterial growth and metabolism. In addition, the reporter response is highly dependent on culture age and cell population density. To overcome such limitations, we developed an in vitro protein-based assay system for the rapid detection and quantification of the furanosyl borate diester (BAI-2) subclass of autoinducer-2 (AI-2) QS molecules. The biosensor is based on the interaction of BAI-2 with the Vibrio harveyi QS receptor LuxP. Conformation changes associated with BAI-2 binding to the LuxP receptor change the orientation of cyan and yellow variants of GFP (CFP and YFP) fused the N- and C-termini, respectively, of the LuxP receptor. LuxP-BAI2 binding induces changes in fluorescence resonance energy transfer (FRET) between CFP and YFP, whose magnitude of change is ligand concentration dependent. A set of ligand-insensitive LuxP-mutant FRET protein sensor was also developed for use as control biosensors. The FRET-based BAI-2 biosensor responds selectively to both synthetic and biologically derived BAI-2compounds. This report describes the use of the LuxP-FRET biosensor for the detection and quantification of

  13. Nanoengineered Carbon-Based Materials For Reactive Adsorption of Toxic Industrial Compounds

    Science.gov (United States)

    2015-01-13

    ABSTRACT 2. REPORT TYPE 17. LIMITATION OF ABSTRACT 15. NUMBER OF PAGES 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 5c. PROGRAM ELEMENT...07 2013): 0. doi: 10.1016/j.carbon.2013.06.081 Camille Petit, Karifala Kante , Teresa J. Bandosz. The role of sulfur-containing groups in ammonia... Kante , Cesar Nieto-Delgado, J. Rene Rangel-Mendez, Teresa J. Bandosz. Spent coffee-based activated carbon: Specific surface features and their

  14. How to benchmark methods for structure-based virtual screening of large compound libraries.

    Science.gov (United States)

    Christofferson, Andrew J; Huang, Niu

    2012-01-01

    Structure-based virtual screening is a useful computational technique for ligand discovery. To systematically evaluate different docking approaches, it is important to have a consistent benchmarking protocol that is both relevant and unbiased. Here, we describe the designing of a benchmarking data set for docking screen assessment, a standard docking screening process, and the analysis and presentation of the enrichment of annotated ligands among a background decoy database.

  15. New 3,4-diaminobenzoic acid Schiff base compounds and their complexes: synthesis, characterization and thermodynamics.

    Science.gov (United States)

    Mohammadi, Khosro; Niad, Mahmood; Jafari, Tahereh

    2014-03-25

    Some new tetradentate Schiff base ligands (H3L) were prepared via condensation of 3,4-diaminobenzoic acid with 2-hydroxybenzaldehyde derivatives, such as 3,4-bis((E)-2,4-dihydroxybenzylideneamino)benzoic acid (H3L(1)), 3,4-bis((E)-2-hydroxy-3-methoxybenzylideneamino)benzoic acid (H3L(2)) and 3,4-bis((E)-5-bromo-2-hydroxybenzylideneamino)benzoic acid (H3L(4)). Additionally, a tetradentate Schiff base ligand 3,4-bis((E)-2-hydroxybenzylideneamino)benzoic acid (H3L(3)) and its complexes were synthesized. Their metal complexes of Co(II), Ni(II), Cu(II) and Zn(II) were prepared in good yields from the reaction of the ligands with the corresponding metal acetate. They were characterized based on IR, (1)H NMR, Mass spectroscopy and UV-Vis spectroscopy. Also, the formation constants of the complexes were measured by UV-Vis spectroscopic titration at constant ionic strength 0.1M (NaClO4), at 25 °C in dimethylformamide (DMF) as a solvent. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

  16. Navigation through unknown and dynamic open spaces using topological notions

    Science.gov (United States)

    Miguel-Tomé, Sergio

    2018-04-01

    Until now, most algorithms used for navigation have had the purpose of directing system towards one point in space. However, humans communicate tasks by specifying spatial relations among elements or places. In addition, the environments in which humans develop their activities are extremely dynamic. The only option that allows for successful navigation in dynamic and unknown environments is making real-time decisions. Therefore, robots capable of collaborating closely with human beings must be able to make decisions based on the local information registered by the sensors and interpret and express spatial relations. Furthermore, when one person is asked to perform a task in an environment, this task is communicated given a category of goals so the person does not need to be supervised. Thus, two problems appear when one wants to create multifunctional robots: how to navigate in dynamic and unknown environments using spatial relations and how to accomplish this without supervision. In this article, a new architecture to address the two cited problems is presented, called the topological qualitative navigation architecture. In previous works, a qualitative heuristic called the heuristic of topological qualitative semantics (HTQS) has been developed to establish and identify spatial relations. However, that heuristic only allows for establishing one spatial relation with a specific object. In contrast, navigation requires a temporal sequence of goals with different objects. The new architecture attains continuous generation of goals and resolves them using HTQS. Thus, the new architecture achieves autonomous navigation in dynamic or unknown open environments.

  17. New radioactively labelled amines, procedure of preparation of the new compounds as well as the diagnostic preparations based on these new compounds

    Energy Technology Data Exchange (ETDEWEB)

    1979-02-07

    This patent describes the composition and preparation of new radioactively labelled amine conpounds for use as radiopharmaceuticals, particularly for the detection and/or localization of thrombi in the body. They are not alien to the body, are used to trace the fibrin network, and lead to favourable ratios between the presence of radioactivity in the blood clot and that in the rest of the body. These new compounds have the general formula Y - (CH/sub 2/)/sub 2/-X-(CH/sub 2/)/sub 2/ - NH/sub 2/ in which X is an oxygen or sulfur atom or a methylene, ethylene or trimethylene group and Y is an organic molecule labelled with radioactive iodine, or in which X is a radioactively labelled selenium or tellurium atom and Y is an organic molecule.

  18. A Mobile-Based High Sensitivity On-Field Organophosphorus Compounds Detecting System for IoT-Based Food Safety Tracking

    Directory of Open Access Journals (Sweden)

    Han Jin

    2017-01-01

    Full Text Available A mobile-based high sensitivity absorptiometer is presented to detect organophosphorus (OP compounds for Internet-of-Things based food safety tracking. This instrument consists of a customized sensor front-end chip, LED-based light source, low power wireless link, and coin battery, along with a sample holder packaged in a recycled format. The sensor front-end integrates optical sensor, capacitive transimpedance amplifier, and a folded-reference pulse width modulator in a single chip fabricated in a 0.18 μm 1-poly 5-metal CMOS process and has input optical power dynamic range of 71 dB, sensitivity of 3.6 nW/cm2 (0.77 pA, and power consumption of 14.5 μW. Enabled by this high sensitivity sensor front-end chip, the proposed absorptiometer has a small size of 96 cm3, with features including on-field detection and wireless communication with a mobile. OP compound detection experiments of the handheld system demonstrate a limit of detection (LOD of 0.4 μmol/L, comparable to that of a commercial spectrophotometer. Meanwhile, an android-based application (APP is presented which makes the absorptiometer access to the Internet-of-Things (IoT.

  19. High Valence, Normal Valence and Unknown Valence

    DEFF Research Database (Denmark)

    Morsing, Thorbjørn Juul

    the serendipitous synthesis of the nitrido-bridged [Rh(en)3]2- [(CN)5MnNMn(CN)5]. The complex anion have previously been studied in the form of the mixed Rb4Na2-salt. In this earlier study, the nitrido-bridge was found to be asymmetrical with the axial ligands in an eclipsed formation. The complex was described...... the [Rh(en)3]2-salt is best described as Mn3.5/Mn3.5. This means that the [(CN)5MnNMn(CN)5]6􀀀 ion displays crystal packing induced oxidation state isomerism, a rare phenomenon. Chapter 4 details the synthesis and characterisation of group 9 dithiolene complexes with focus on the hitherto unknown...... homoleptic iridium dithiolene complexes. When the complexes [M(mnt)3]3􀀀, M = Rh and Co are chemically oxidized, they decompose to yield dinuclear complexes with the metal still in oxidation state III. This is not the case for the corresponding Ir complex which can be oxidized and the oxidation...

  20. Lung Lesions During Fever of Unknown Origin.

    Science.gov (United States)

    Krupa, Renata; Zielonka, Tadeusz M; Hadzik-Blaszczyk, Malgorzata; Wardyn, Kazimierz A; Zycinska, Katarzyna

    2017-01-01

    Fever of unknown origin (FUO) remains one of the most difficult diagnostic challenges. The causes of FUO can be various diseases located in different organs. The aim of the study was to determine the prevalence and nature of pulmonary lesions during FUO. One hundred and sixty one patients with FUO participated in this prospective study. We performed a detailed comprehensive history, physical examination, and a wide spectrum of tests. The most common causes of FUO were infections (39%), autoimmune conditions (28%), and neoplasms (17%). Lung lesions were found in 30% of patients. In this group 35% were infections, 30% autoimmune diseases, and 4% cancer. Among patients with respiratory infections, there were cases of tuberculosis, atypical pneumonia, lung abscess, and bronchiectases. Autoimmune pulmonary lesions were observed during vasculitis and systemic lupus. The causes of FUO in the group of patients with lung lesions were also pulmonary embolism, sarcoidosis, and pulmonary fibrosis. Chest CT played an important role in the diagnosis of the causes of FUO with pulmonary manifestations. Pulmonary lesions are a common cause of FUO. Most FUO with pulmonary lesions are recognized during infections and autoimmune diseases. An important part of diagnosing FUO is a detailed evaluation of the respiratory system.

  1. The energy equation with three unknowns

    International Nuclear Information System (INIS)

    Schifano, Fabio; Moriconi, Daniele

    2008-01-01

    This article discusses the alarming situation of energy in Italy as this country depends at 82 per cent on its imports (oil, natural gas and electricity), a dependence which could even increase. The authors first propose overviews of the situation regarding oil, natural gas and electric power (origins of imports, role of Italian companies, status of infrastructures), and also briefly of renewable energies. They recall the history of the use of nuclear energy: Italy has been one of the first country to use nuclear energy to produce electric power, but a referendum organised after Chernobyl resulted in phasing out nuclear. Then, the authors discuss perspectives associated with three main strategic unknowns: an increase of energy dependence with respect to hydrocarbons and to foreign nuclear power, a supply insecurity due to a dependence concentrated on a small number of countries (notably as far as natural gas is concerned), and an increasing interdependence between economic growth and sustainable development (the reduction of greenhouse emissions is a prevailing parameter for future energetic choices)

  2. Machine learning-based prediction of adverse drug effects: An example of seizure-inducing compounds

    Directory of Open Access Journals (Sweden)

    Mengxuan Gao

    2017-02-01

    Full Text Available Various biological factors have been implicated in convulsive seizures, involving side effects of drugs. For the preclinical safety assessment of drug development, it is difficult to predict seizure-inducing side effects. Here, we introduced a machine learning-based in vitro system designed to detect seizure-inducing side effects. We recorded local field potentials from the CA1 alveus in acute mouse neocortico-hippocampal slices, while 14 drugs were bath-perfused at 5 different concentrations each. For each experimental condition, we collected seizure-like neuronal activity and merged their waveforms as one graphic image, which was further converted into a feature vector using Caffe, an open framework for deep learning. In the space of the first two principal components, the support vector machine completely separated the vectors (i.e., doses of individual drugs that induced seizure-like events and identified diphenhydramine, enoxacin, strychnine and theophylline as “seizure-inducing” drugs, which indeed were reported to induce seizures in clinical situations. Thus, this artificial intelligence-based classification may provide a new platform to detect the seizure-inducing side effects of preclinical drugs.

  3. Hydrogen iodide-based dry etching of GaAs, InP, and related compounds

    International Nuclear Information System (INIS)

    Pearton, S.J.; Chakrabarti, U.K.; Hobson, W.S.; Abernathy, C.R.; Katz, A.; Ren, F.; Fullowan, T.R.; Perley, A.P.

    1992-01-01

    In this paper HI/H 2 /Ar discharges are shown to be universal etchants for III-V semiconductors, giving rise to highly anisotropic features with smooth surface morphologies. At low dc Self bias (-V) and low pressure (1 mTorr), etch rates for all III-V materials of >2000 Angstrom · min -1 are possible for high HI percentages in the discharges, whereas rates greater than 1 μm · min -1 are obtained at higher pressures and dc biases. These etch rates are approximately an order of magnitude faster than for CH 4 /H 2 Ar mixtures under the same conditions and there is no polymer deposition on the mask or within the reactor chamber with HI/H 2 /Ar. Auger electron spectroscopy reveals residue-free, stoichiometric surfaces after dry etching in this mixture. As a result, photoluminescent intensities from dry etched samples remain high with little apparent damage introduction. Changes in the near-surface carrier concentration due to hydrogen passivation effects are also negligible with HI-based mixtures in comparison to CH 4 -based dry etching

  4. Ion-exchange synthesis of compounds based on low-water niobium hydroxide

    International Nuclear Information System (INIS)

    Ivanova, N.E.; Sakharov, V.E.; Korovin, S.S.

    1977-01-01

    Ordinary physico-chemical methods have been used for studying the possibilities of the ion-exchange synthesis of niobates of alkaline and alkaline-earth elements based on low-water niobium hydroxide small at relatively low temperatures. It has been established that cation-exchange properties of low-water niobium hydroxide are revealed in a wide range of pH (from 8.95 to 12.4 for alkaline-earth elements and from 6.7 to 12.0 for alkaline elements). Physico-chemical study of solid phases points that there is a monophase with low-water niobium hydroxide. The rate of crystallization ageing of amorphous phases based on low-water niobium hydroxide is rather small for the samples with a M:Nb ratio less than 1.0 whereas mixed hydroxides with M:Nb ratio more than 1.0 reveal on X-ray diffraction patterns diffusion reflections after keeping in mother liquor for 5 hours-1 day

  5. Antiphase Fermi-surface modulations accompanying displacement excitation in a parent compound of iron-based superconductors

    Science.gov (United States)

    Okazaki, Kozo; Suzuki, Hakuto; Suzuki, Takeshi; Yamamoto, Takashi; Someya, Takashi; Ogawa, Yu; Okada, Masaru; Fujisawa, Masami; Kanai, Teruto; Ishii, Nobuhisa; Itatani, Jiro; Nakajima, Masamichi; Eisaki, Hiroshi; Fujimori, Atsushi; Shin, Shik

    2018-03-01

    We investigate the transient electronic structure of BaFe2As2 , a parent compound of iron-based superconductors, by time- and angle-resolved photoemission spectroscopy. In order to probe the entire Brillouin zone, we utilize extreme ultraviolet photons and observe photoemission intensity oscillation with the frequency of the A1 g phonon which is antiphase between the zone-centered hole Fermi surfaces (FSs) and zone-cornered electron FSs. We attribute the antiphase behavior to the warping in one of the zone-centered hole FSs accompanying the displacement of the pnictogen height and find that this displacement is the same direction as that induced by substitution of P for As, where superconductivity is induced by a structural modification without carrier doping in this system.

  6. Investigation of spin-gapless semiconductivity and half-metallicity in Ti2MnAl-based compounds

    International Nuclear Information System (INIS)

    Lukashev, P.; Staten, B.; Hurley, N.; Kharel, P.; Gilbert, S.; Fuglsby, R.; Huh, Y.; Valloppilly, S.; Zhang, W.; Skomski, R.; Sellmyer, D. J.; Yang, K.

    2016-01-01

    The increasing interest in spin-based electronics has led to a vigorous search for new materials that can provide a high degree of spin polarization in electron transport. An ideal candidate would act as an insulator for one spin channel and a conductor or semiconductor for the opposite spin channel, corresponding to the respective cases of half-metallicity and spin-gapless semiconductivity. Our first-principle electronic-structure calculations indicate that the metallic Heusler compound Ti 2 MnAl becomes half-metallic and spin-gapless semiconducting if half of the Al atoms are replaced by Sn and In, respectively. These electronic structures are associated with structural transitions from the regular cubic Heusler structure to the inverted cubic Heusler structure.

  7. Roentgenographic and derivatographic investigation of gallium and indium complexes with azo compounds on the base of pyrogallol

    International Nuclear Information System (INIS)

    Gambarov, D.G.; Rzaev, R.Z.; Musaev, F.N.; Musaeva, A.N.; Chyragov, F.M.

    1985-01-01

    Seven complexes of gallium and indium with N-donor ligands obtained on the base of pyrogallol are synthesized. Their chemical composition is established. Nitrogen-containing ligands and their complexes are investigated by the methods of roentgenographic and thermogravimetric analyses. It is shown that gallium and indium complexes are amorphous compounds. An assumption is made on the thermolysis character that complexes have a similar structure: structural complex nucleus constitutes a six-term chelate ring. Para-substitutors in the ligand do not participate in complexing, possibly they participate in H-bonds formation. It is established by spectrophotometric methods that in solutions stoichiometric ratio metal: ligand is the same as in the solid phase

  8. Roentgenographic and derivatographic investigation of gallium and indium complexes with azo compounds on the base of pyrogallol

    Energy Technology Data Exchange (ETDEWEB)

    Gambarov, D G; Rzaev, R Z; Musaev, F N; Musaeva, A N; Chyragov, F M

    1985-01-01

    Seven complexes of gallium and indium with N-donor ligands obtained on the base of pyrogallol are synthesized. Their chemical composition is established. Nitrogen-containing ligands and their complexes are investigated by the methods of roentgenographic and thermogravimetric analyses. It is shown that gallium and indium complexes are amorphous compounds. An assumption is made on the thermolysis character that complexes have a similar structure: structural complex nucleus constitutes a six-term chelate ring. Para-substitutors in the ligand do not participate in complexing, possibly they participate in H-bonds formation. It is established by spectrophotometric methods that in solutions stoichiometric ratio metal: ligand is the same as in the solid phase.

  9. Functionalized antibiofilm thin coatings based on PLA–PVA microspheres loaded with usnic acid natural compounds fabricated by MAPLE

    Energy Technology Data Exchange (ETDEWEB)

    Grumezescu, Valentina [National Institute for Lasers, Plasma and Radiation Physics, Lasers Department, PO Box MG-36, Bucharest-Magurele, Bucharest (Romania); University Politehnica of Bucharest, Faculty of Applied Chemistry and Materials Science, Department of Science and Engineering of Oxidic Materials and Nanomaterials, Polizu Street no 1-7, 011061 Bucharest (Romania); Socol, Gabriel [National Institute for Lasers, Plasma and Radiation Physics, Lasers Department, PO Box MG-36, Bucharest-Magurele, Bucharest (Romania); Grumezescu, Alexandru Mihai, E-mail: grumezescu@yahoo.com [University Politehnica of Bucharest, Faculty of Applied Chemistry and Materials Science, Department of Science and Engineering of Oxidic Materials and Nanomaterials, Polizu Street no 1-7, 011061 Bucharest (Romania); Holban, Alina Maria [Faculty of Biology, University of Bucharest, Microbiology Immunology Department, Aleea Portocalelor 1-3, Sector 5, 77206 Bucharest (Romania); Ficai, Anton [University Politehnica of Bucharest, Faculty of Applied Chemistry and Materials Science, Department of Science and Engineering of Oxidic Materials and Nanomaterials, Polizu Street no 1-7, 011061 Bucharest (Romania); Truşcǎ, Roxana [S.C. Metav-CD S.A., 31Rosetti Str., 020015 Bucharest (Romania); Bleotu, Coralia [Stefan S Nicolau Institute of Virology, Bucharest (Romania); Balaure, Paul Cǎtǎlin [Department of Organic Chemistry, Faculty of Applied Chemistry and Materials Science, Politehnica Universitiy of Bucharest, Polizu Street no 1-7, 011061 Bucharest (Romania); Cristescu, Rodica [National Institute for Lasers, Plasma and Radiation Physics, Lasers Department, PO Box MG-36, Bucharest-Magurele, Bucharest (Romania); Chifiriuc, Mariana Carmen [Faculty of Biology, University of Bucharest, Microbiology Immunology Department, Aleea Portocalelor 1-3, Sector 5, 77206 Bucharest (Romania)

    2014-05-01

    We report the fabrication of thin coatings of PLA–PVA microspheres loaded with usnic acid by matrix assisted pulsed laser evaporation (MAPLE) onto Ti substrate. The obtained coatings have been physico-chemically characterized by scanning electron microscopy (SEM) and infrared microscopy (IRM). In vitro biological assays have been performed in order to evaluate the influence of fabricated microsphere thin coatings on the Staphylococcus aureus biofilm development as well as their biocompatibility. SEM micrographs have revealed a uniform morphology of thin coatings, while IRM investigations have proved both the homogeneity and functional groups integrity of prepared thin coatings. The obtained microsphere-based thin coatings have proved to be efficient vehicles for usnic acid natural compound with antibiofilm activity, as demonstrated by the inhibitory activity on S. aureus mature biofilm development, opening new perspectives for the prevention and therapy associated to biofilm related infections.

  10. Composite materials based on high-modulus compounds for additive technology

    Science.gov (United States)

    Grigoriev, M.; Kotelnikov, N.; Buyakova, S.; Kulkov, S.

    2016-07-01

    The effect of adding nanocrystalline ZrO2 and submicron TiC to ultrafine Al2O3 on mechanical properties and the microstructure of the composites developed by hot pressing was investigated. It was shown that by means of hot pressing in argon atmosphere at the sintering temperature of 1500 °C one can obtain the composites of Al2O3-ZrO2-TiC with a fine structure and minimal porosity. It was shown that in the material a multi-scale hierarchical structure is formed, which possesses high physical and mechanical properties: the hardness and fracture toughness was 22 GPa and 5.2 MPa*m1/2, respectively. It has been shown that mechanical properties of the composite are better than those of commercial composites based on aluminum oxide (Al2O3, ZTA, Al2O3-TiC) and are comparable to those of silicon nitride.

  11. Evaluation of a compound distribution based on weather pattern subsampling for extreme rainfall in Norway

    Directory of Open Access Journals (Sweden)

    J. Blanchet

    2015-12-01

    SCHADEX method for extreme flood estimation. Regional scores of evaluation are used in a split sample framework to compare the MEWP distribution with more general heavy-tailed distributions, in this case the Multi Generalized Pareto Weather Pattern (MGPWP distribution. The analysis shows the clear benefit obtained from seasonal and weather pattern-based subsampling for extreme value estimation. The MEWP distribution is found to have an overall better performance as compared with the MGPWP, which tends to overfit the data and lacks robustness. Finally, we take advantage of the split sample framework to present evidence for an increase in extreme rainfall in the southwestern part of Norway during the period 1979–2009, relative to 1948–1978.

  12. Diagnostics of oral lichen planus based on analysis of volatile organic compounds in saliva

    Science.gov (United States)

    Kistenev, Yury; Borisov, Alexey; Shapovalov, Alexander; Baydik, Olga; Titarenko, Maria

    2017-03-01

    The ability of diagnostics of oral lichen planus (OLP) based on spectral analysis of saliva using the THz spectroscopy is presented. The study included 8 patients with clinically proven OLP. The comparison group consisted of 8 healthy volunteers. Absorption spectra of the saliva was measured using time-domain spectrometer T-spec (EXPLA) in the range 0.2-3THz and have been considered as the feature vectors of the state. The spatial distribution of the objects under study in the feature space was analyzed using principle component analysis. The groups under study were shown to separate in full. Thus, the saliva analysis by the THz spectroscopy technique can be potentially used as a method of noninvasive diagnostics of the OLP.

  13. Off-Policy Actor-Critic Structure for Optimal Control of Unknown Systems With Disturbances.

    Science.gov (United States)

    Song, Ruizhuo; Lewis, Frank L; Wei, Qinglai; Zhang, Huaguang

    2016-05-01

    An optimal control method is developed for unknown continuous-time systems with unknown disturbances in this paper. The integral reinforcement learning (IRL) algorithm is presented to obtain the iterative control. Off-policy learning is used to allow the dynamics to be completely unknown. Neural networks are used to construct critic and action networks. It is shown that if there are unknown disturbances, off-policy IRL may not converge or may be biased. For reducing the influence of unknown disturbances, a disturbances compensation controller is added. It is proven that the weight errors are uniformly ultimately bounded based on Lyapunov techniques. Convergence of the Hamiltonian function is also proven. The simulation study demonstrates the effectiveness of the proposed optimal control method for unknown systems with disturbances.

  14. Acid/base bifunctional carbonaceous nanomaterial with large surface area: Preparation, characterization, and adsorption properties for cationic and anionic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Li, Kai; Ma, Chun–Fang; Ling, Yuan; Li, Meng [Department of Chemistry, Faculty of Material Science and Chemistry, China University of Geosciences, Wuhan 430074 (China); Gao, Qiang, E-mail: gaoqiang@cug.edu.cn [Department of Chemistry, Faculty of Material Science and Chemistry, China University of Geosciences, Wuhan 430074 (China); Engineering Research Center of Nano-Geo Materials of Ministry of Education, China University of Geosciences, Wuhan 430074 (China); Luo, Wen–Jun, E-mail: heartnohome@yahoo.com.cn [Department of Chemistry, Faculty of Material Science and Chemistry, China University of Geosciences, Wuhan 430074 (China)

    2015-07-15

    Nanostructured carbonaceous materials are extremely important in the nano field, yet developing simple, mild, and “green” methods that can make such materials possess large surface area and rich functional groups on their surfaces still remains a considerable challenge. Herein, a one-pot and environment-friendly method, i.e., thermal treatment (180 °C; 18 h) of water mixed with glucose and chitosan (CTS), has been proposed. The resultant carbonaceous nanomaterials were characterized by field emitting scanning electron microscope, N{sub 2} adsorption/desorption, Fourier transform infrared spectroscope, X-ray photoelectron spectroscopy, and zeta-potential analysis. It was found that, in contrast to the conventional hydrothermally carbonized product from pure glucose, with low surface area (9.3 m{sup 2} g{sup −1}) and pore volume (0.016 cm{sup 3} g{sup −1}), the CTS-added carbonaceous products showed satisfactory textural parameters (surface area and pore volume up to 254 m{sup 2} g{sup −1} and 0.701 cm{sup 3} g{sup −1}, respectively). Moreover, it was also interestingly found that these CTS-added carbonaceous products possessed both acidic (–COOH) and basic (–NH{sub 2}) groups on their surfaces. Taking the advantages of large surface area and –COOH/–NH{sub 2} bifunctional surface, the carbonaceous nanomaterials exhibited excellent performance for adsorptions of cationic compound (i.e., methylene blue) at pH 10 and anionic compound (i.e., acid red 18) at pH 2, respectively. This work not only provides a simple and green route to prepare acid/base bifunctional carbonaceous nanomaterials with large surface area but also well demonstrates their potential for application in adsorption. - Highlights: • A simple and green method was proposed to prepare carbon nanomaterials. • The carbon product showed acid/base bifunctional surface with large surface area. • The carbon material could efficiently adsorb both cationic and anionic compounds.

  15. Removal of selected emerging PPCP compounds using greater duckweed (Spirodela polyrhiza) based lab-scale free water constructed wetland.

    Science.gov (United States)

    Li, Jianan; Zhou, Qizhi; Campos, Luiza C

    2017-12-01

    Greater duckweed (Spirodela polyrhiza) based lab-scale free water constructed wetland (CW) was employed for removing four emerging pharmaceuticals and personal care products (PPCPs) (i.e. DEET, paracetamol, caffeine and triclosan). Orthogonal design was used to test the effect of light intensity, aeration, E.coli abundance and plant biomass on the target compounds. Synthetic wastewater contaminated with the target compounds at concentration of 25 μg/L was prepared, and both batch and continuous flow experiments were conducted. Up to 100% removals were achieved for paracetamol (PAR), caffeine (CAF) and tricolsan (TCS) while the highest removal for DEET was 32.2% in batch tests. Based on orthogonal Duncan analysis, high light intensity (240 μmolmm -2 s -1 ), full aeration, high plant biomass (1.00 kg/m 2 ) and high E.coli abundance (1.0 × 10 6  CFU/100 mL) favoured elimination of the PPCPs. Batch verification test achieved removals of 17.1%, 98.8%, 96.4% and 95.4% for DEET, PAR, CAF and TCS respectively. Continuous flow tests with CW only and CW followed by stabilization tank (CW-ST) were carried out. Final removals of the PPCP contaminants were 32.6%, 97.7%, 98.0% and 100% for DEET, PAR, CAF and TCS, respectively, by CW system alone, while 43.3%, 97.5%, 98.2% and 100%, respectively, were achieved by CW-ST system. By adding the ST tank, PPCP concentrations decreased significantly faster (p < 0.05) compared with continuous flow CW alone. In addition, after removing aerators during continuous flow CW experiments, the treatment systems presented good stability for the PPCP removals. CW-ST showed better chemical oxygen demand (COD) and total organic carbon (TOC) removals (89.3%, 91.2%, respectively) than CW only (79.4%, 85.2%, respectively). However, poor DEET removal (<50%) and high E.coli abundance (up to 1.7 log increase) in the final treated water indicated further treatment processes may be required. Statistical analysis showed significant correlations

  16. Improvement of hydrogen sorption properties of compounds based on Vanadium “bcc” alloys by mean of intergranular phase development

    International Nuclear Information System (INIS)

    Planté, D.; Raufast, C.; Miraglia, S.; Rango, P. de; Fruchart, D.

    2013-01-01

    Highlights: •Decrease of “bcc” pseudo cell with the increase of amount of additive. •Additive phase improve activation kinetics. •Chromium in the “bcc” matrix decreases the lattice parameter and destabilizes hydride formation/dissociation. •Lower working temperatures could be obtain. -- Abstract: Body centered cubic structure (“bcc”) type alloys based on Vanadium [1] reveal promising characteristics for mobile applications. These disordered solid solutions have particular metal/hydride equilibrium and some regulation aspects have leaded us to pay special attention to this type of material [2]. Compounds based on Vanadium-rich solid solution have been elaborated in order to destabilize γ hydride phase (corresponding to the face centered cubic (“fcc”) structure of VH 2 ). Addition of Ni and Zr-rich Laves phase as a secondary phase results in the development of a particular microstructure composed of a principal “bcc” matrix rounded by intergranular activating phase. This results in a facilitated and faster activation of these compounds. The present study shows that some constituting species of the secondary phase have diffused in the main matrix and therefore have modified the thermodynamic of hydride. In fact, chromium diffusion into the “bcc” matrix destabilizes hydride. It is correlated to the lower stability of chromium hydride compared to Vanadium hydride. The enthalpic terms of each sample have been measured (assuming standard entropy of 130 J mol −1 K −1 ). The equilibrium metal/hydride can be easily switched in order to adapt it to a mobile hydride tank and obtain low working temperature in regard to the potential use

  17. Properties of nanoparticles prepared from NdFeB-based compound for magnetic hyperthermia application.

    Science.gov (United States)

    Périgo, E A; Silva, S C; de Sousa, E M B; Freitas, A A; Cohen, R; Nagamine, L C C M; Takiishi, H; Landgraf, F J G

    2012-05-04

    Nanoparticles were prepared from a NdFeB-based alloy using the hydrogen decrepitation process together with high-energy ball milling and tested as heating agent for magnetic hyperthermia. In the milling time range evaluated (up to 10 h), the magnetic moment per mass at H = 1.59 MA m(-1) is superior than 70 A m(2) kg(-1); however, the intrinsic coercivity might be inferior than 20 kA m(-1). The material presents both ferromagnetic and superparamagnetic particles constituted by a mixture of phases due to the incomplete disproportionation reaction of Nd(2)Fe(14)BH(x) during milling. Solutions prepared with deionized water and magnetic particles exposed to an AC magnetic field (H(max) ~ 3.7 kA m(-1) and f = 228 kHz) exhibited 26 K ≤ ΔT(max) ≤ 44 K with a maximum estimated specific absorption rate (SAR) of 225 W kg(-1). For the pure magnetic material milled for the longest period of time (10 h), the SAR was estimated as ~2500 W kg(-1). In vitro tests indicated that the powders have acceptable cytotoxicity over a wide range of concentration (0.1-100 µg ml(-1)) due to the coating applied during milling.

  18. Introducing a rainfall compound distribution model based on weather patterns sub-sampling

    Directory of Open Access Journals (Sweden)

    F. Garavaglia

    2010-06-01

    Full Text Available This paper presents a probabilistic model for daily rainfall, using sub-sampling based on meteorological circulation. We classified eight typical but contrasted synoptic situations (weather patterns for France and surrounding areas, using a "bottom-up" approach, i.e. from the shape of the rain field to the synoptic situations described by geopotential fields. These weather patterns (WP provide a discriminating variable that is consistent with French climatology, and allows seasonal rainfall records to be split into more homogeneous sub-samples, in term of meteorological genesis.

    First results show how the combination of seasonal and WP sub-sampling strongly influences the identification of the asymptotic behaviour of rainfall probabilistic models. Furthermore, with this level of stratification, an asymptotic exponential behaviour of each sub-sample appears as a reasonable hypothesis. This first part is illustrated with two daily rainfall records from SE of France.

    The distribution of the multi-exponential weather patterns (MEWP is then defined as the composition, for a given season, of all WP sub-sample marginal distributions, weighted by the relative frequency of occurrence of each WP. This model is finally compared to Exponential and Generalized Pareto distributions, showing good features in terms of robustness and accuracy. These final statistical results are computed from a wide dataset of 478 rainfall chronicles spread on the southern half of France. All these data cover the 1953–2005 period.

  19. Associating Polymer Networks Based on Cyclodextrin Inclusion Compounds for Heavy Oil Recovery

    Directory of Open Access Journals (Sweden)

    Xi Li

    2018-01-01

    Full Text Available This work evaluates an approach to improve the enhanced heavy oil recovery performance of hydrophobic associating polymer. A polymeric system based on water-soluble hydrophobic associating polymer (WSHAP and cyclodextrin (CD polymer was proposed in this work. Addition of CD polymer to WSHAP forms interpolymer bridges by inclusion of CD groups with hydrophobic tails, and thereby the network structure is strengthened. The proposed system offers good viscoelasticity, pronounced shear thinning, and interesting viscosity-temperature relations. Sand pack tests indicated that the proposed system can build high resistance factor during the propagation in porous media, and its moderate adsorption phenomenon was represented by the thickness of the adsorbed layer. The relationship between effective viscosity and oil recovery increment indicated that the proposed system can significantly reduce the residual oil saturation due to the “piston-like” propagation. The overall oil recovery was raised by 5.7 and 24.5% of the original oil in place compared with WSHAP and partially hydrolyzed polyacrylamide (HPAM, respectively.

  20. Transmission electron microscopy of InP-based compound semiconductor materials and devices

    International Nuclear Information System (INIS)

    Chu, S.N.G.

    1990-01-01

    InP/InGaAsP-based heteroepitaxial structures constitute the major optoelectronic devices for state-of-the-art long wavelength optical fiber communication system.s Future advanced device structures will require thin heteroepitaxial quantum wells and superlattices a few tens of angstrom or less in thickness, and lateral dimensions ranging from a few tens angstrom for quantum dots and wires to a few μm in width for buried heterostructure lasers. Due to the increasing complexity of the device structure required by band-gap engineering, the performance of these devices becomes susceptible to any lattice imperfections present in the structure. Transmission electron microscopy (TEM), therefore, becomes the most important technique in characterizing the structural integrity of these materials. Cross-section transmission electron microscopy (XTEM) not only provides the necessary geometric information on the device structure; a careful study of the materials science behind the observed lattice imperfections provides directions for optimization of both the epitaxial growth parameters and device processing conditions. Furthermore, for device reliability studies, TEM is the only technique that unambiguously identifies the cause of device degradation. In this paper, the authors discuss areas of application of various TEM techniques, describe the TEM sample preparation technique, and review case studies to demonstrate the power of the TEM technique

  1. Ab initio-based approach to structural change of compound semiconductor surfaces during MBE growth

    Science.gov (United States)

    Ito, Tomonori; Akiyama, Toru; Nakamura, Kohji

    2009-01-01

    Phase diagrams of GaAs and GaN surfaces are systematically investigated by using our ab initio-based approach in conjunction with molecular beam epitaxy (MBE). The phase diagrams are obtained as a function of growth parameters such as temperature and beam equivalent pressure (BEP). The versatility of our approach is exemplified by the phase diagram calculations for GaAs(0 0 1) surfaces, where the stable phases and those phase boundaries are successfully determined as functions of temperature and As 2 and As 4 BEPs. The initial growth processes are clarified by the phase diagram calculations for GaAs(1 1 1)B-(2×2). The calculated results demonstrate that the As-trimer desorption on the GaAs(1 1 1)B-(2×2) with Ga adatoms occurs beyond 500-700 K while the desorption without Ga adatoms does beyond 800-1000 K. This self-surfactant effect induced by Ga adsorption crucially affects the initial growth of GaAs on the GaAs(1 1 1)B-(2×2). Furthermore, the phase diagram calculations for GaN(0 0 0 1) suggests that Ga adsorption or desorption during GaN MBE growth can easily change the pseudo-(1×1) to the (2×2)-Ga via newly found (1×1) and vice versa. On the basis of this finding, the possibility of ghost island formation during MBE growth is discussed.

  2. Uric Acid: The Unknown Uremic Toxin.

    Science.gov (United States)

    Treviño-Becerra, Alejandro

    2018-01-01

    This review brings together concepts of uric acid metabolism affecting renal parenchyma and its function and the current therapies to reduce hyperuricemia (HyU) and avoid renal disease progression. High uric acid plays an important role in several chronic diseases including kidney diseases such as lithiasis, gout nephropathy, and preeclampsia. In the last 30 years, it has been shown that reducing HyU with low protein and low purine diets in addition to allopurinol creates physiopathological conditions that produce a slight increase in the glomerular filtration rate (GFR). In recent years, in a new era of research in clinical, genetics, pharmacological, and epidemiologic fields, they have been moving forward to support the idea that reduction in HyU could benefit the chronic renal failure (CRF) patients (stage III-IV), thereby avoiding the drop of GFR for undefined mechanisms. There are several clinical trials in progress that show the HyU reducing to very low values and an increased GFR. In a young population, when treating HyU there is a reduction in high blood pressure. There are some reports showing that HyU could play a role in the diabetic nephropathy. Therefore, there have been some speculations that HyU treatment could stop the progression of CRF modifying the natural history of the diseases. So there will be new clinical trials with old and new medication and metabolic procedure to maintain a very low blood levels in the unknown uremic toxin know as uric acid which seems to be the toxin to the damage kidney. © 2018 S. Karger AG, Basel.

  3. Numerical method of identification of an unknown source term in a heat equation

    Directory of Open Access Journals (Sweden)

    Fatullayev Afet Golayo?lu

    2002-01-01

    Full Text Available A numerical procedure for an inverse problem of identification of an unknown source in a heat equation is presented. Approach of proposed method is to approximate unknown function by polygons linear pieces which are determined consecutively from the solution of minimization problem based on the overspecified data. Numerical examples are presented.

  4. Optimal unambiguous comparison of two unknown squeezed vacua

    International Nuclear Information System (INIS)

    Olivares, Stefano; Paris, Matteo G. A.; Sedlak, Michal; Rapsan, Peter; Busek, Vladimir

    2011-01-01

    We propose a scheme for the unambiguous state comparison (USC) of two unknown squeezed vacuum states of the electromagnetic field. Our setup is based on linear optical elements and photon-number detectors, and it achieves optimal USC in an ideal case of unit quantum efficiency. In realistic conditions, i.e., for nonunit quantum efficiency of photodetectors, we evaluate the probability of getting an ambiguous result as well as the reliability of the scheme, thus showing its robustness in comparison to previous proposals.

  5. Fast entanglement detection for unknown states of two spatial qutrits

    International Nuclear Information System (INIS)

    Lima, G.; Gomez, E. S.; Saavedra, C.; Vargas, A.; Vianna, R. O.

    2010-01-01

    We investigate the practicality of the method proposed by Maciel et al. [Phys. Rev. A. 80, 032325 (2009).] for detecting the entanglement of two spatial qutrits (three-dimensional quantum systems), which are encoded in the discrete transverse momentum of single photons transmitted through a multislit aperture. The method is based on the acquisition of partial information of the quantum state through projective measurements, and a data processing analysis done with semidefinite programs. This analysis relies on generating gradually an optimal entanglement witness operator, and numerical investigations have shown that it allows for the entanglement detection of unknown states with a cost much lower than full state tomography.

  6. Modal Parameter Identification from Responses of General Unknown Random Inputs

    DEFF Research Database (Denmark)

    Ibrahim, S. R.; Asmussen, J. C.; Brincker, Rune

    1996-01-01

    Modal parameter identification from ambient responses due to a general unknown random inputs is investigated. Existing identification techniques which are based on assumptions of white noise and or stationary random inputs are utilized even though the inputs conditions are not satisfied....... This is accomplished via adding. In cascade. A force cascade conversion to the structures system under consideration. The input to the force conversion system is white noise and the output of which is the actual force(s) applied to the structure. The white noise input(s) and the structures responses are then used...

  7. Evaluation of ozone generation and indoor organic compounds removal by air cleaners based on chamber tests

    Science.gov (United States)

    Yu, Kuo-Pin; Lee, Grace Whei-May; Hsieh, Ching-Pei; Lin, Chi-Chi

    2011-01-01

    Ozone can cause many health problems, including exacerbation of asthma, throat irritation, cough, chest ache, shortness of breath, and respiratory infections. Air cleaners are one of the sources of indoor ozone, and thus the evaluation of ozone generated by air cleaners is desired significant issue. Most evaluation methods proposed are based on chamber tests. However, the adsorption and desorption of ozone on the wall of test chamber and the deposition of ozone resulted from the surface reaction can influence the evaluation results. In this study, we developed a mass balance model that took the adsorption, desorption and deposition of ozone into consideration to evaluate the effective ozone emission rates of six selected air cleaners. The experiments were conducted in a stainless steel chamber with a volume of 11.3 m 3 at 25 °C and 60% relative humidity. The adsorption, desorption and deposition rate constants of ozone obtained by fitting the model to the experimental data were k a = 0.149 ± 0.052 m h -1, k d = 0.013 ± 0.007 h -1, and k r = 0.050 ± 0.020 h -1, respectively. The effective ozone emission rates of Air Cleaners No. 1, 2, and 3 ranged between 13,400-24,500 μg h -1, 7190-10,400 μg h -1, and 4880-6560 μg h -1, respectively, which were more stable than those of No.4, 5, and 6. The effective ozone emission rates of Air Cleaners No. 4, 5, and 6 increased with the time of operation which might be relevant to the decrease of ozone removal by the "aging" filter installed in these cleaners. The removal of toluene and formaldehyde by these six air cleaners were also evaluated and the clean air delivery rates (CADRs) of these two pollutants ranged from non-detectable to 0.42 ± 0.08 m 3 h -1, and from non-detectable to 0.75 ± 0.07 m 3 h -1, respectively. The CADRs showed an insignificant relationship with the effective ozone emission rates. Thus, the removal of toluene and formaldehyde might be resulted from the adsorption on the filters and the

  8. Flammability of Cellulose-Based Fibers and the Effect of Structure of Phosphorus Compounds on Their Flame Retardancy

    Directory of Open Access Journals (Sweden)

    Khalifah A. Salmeia

    2016-08-01

    Full Text Available Cellulose fibers are promoted for use in various textile applications due their sustainable nature. Cellulose-based fibers vary considerably in their mechanical and flammability properties depending on their chemical composition. The chemical composition of a cellulose-based fiber is further dependent on their source (i.e., seed, leaf, cane, fruit, wood, bast, and grass. Being organic in nature, cellulose fibers, and their products thereof, pose considerable fire risk. In this work we have compared the flammability properties of cellulose fibers obtained from two different sources (i.e., cotton and peat. Compared to cotton cellulose textiles, peat-based cellulose textiles burn longer with a prominent afterglow which can be attributed to the presence of lignin in its structure. A series of phosphoramidates were synthesized and applied on both cellulose textiles. From thermogravimetric and pyrolysis combustion flow analysis of the treated cellulose, we were able to relate the flame retardant efficacy of the synthesized phosphorus compounds to their chemical structure. The phosphoramidates with methyl phosphoester groups exhibited higher condensed phase flame retardant effects on both types of cellulose textiles investigated in this study. In addition, the bis-phosphoramidates exhibited higher flame retardant efficacy compared to the mono-phosphoramidates.

  9. Product and corporate carbon footprint using the compound method based on financial accounts. The case of Osorio wind farms

    International Nuclear Information System (INIS)

    Alvarez, Sergio; Sosa, María; Rubio, Agustín

    2015-01-01

    Highlights: • We applied novel organisation-product-based-life-cycle assessment to Osorio Wind Farms. • This study includes sources, phases and areas previously unreported for the wind power sector. • MC3 assess carbon footprint in a practical and comprehensive manner. • MC3 is suitable for its application in major international projects. - Abstract: The challenge of developing clean and renewable energy sources is becoming ever more urgent. Over the last decade, the concept of carbon footprint has been used to report direct and indirect greenhouse gas emissions and as a support for sustainable consumption decisions. However, the discrepancies in the approaches based on either the product or corporate carbon footprint can seriously hinder its successful implementation. The so-called compound method based on financial accounts is a tiered hybrid method which enables the calculation of both the product and corporate carbon footprint. This work aims to assess this method as a tool for carbon footprint through its implementation in a comprehensive life-cycle assessment of the Osorio Wind Farms in Brazil. The total cumulative life-cycle emissions are 362.455 t CO 2 eq, representing 18.33 gr CO 2 eq per kW h delivered to the Brazilian national power grid. The difference with regard to previous works derives from its broader scope and different assumptions. In this study the comparable value from wind turbine manufacture, transport and construction is 8.42 gr CO 2 eq per kW h, 56% lower than the mean figure reported by Arvesen and Hertwich (2012). This study includes sources, phases and areas previously unreported in the carbon footprint reviews for the wind power sector. We conclude that the compound method based on financial accounts is a practical method that allows the definition of a more comprehensive goal and scope. Its implementation at Osorio Wind Farms demonstrates the method’s suitability for application in major international projects and

  10. Fe based amorphous and compounds metallic alloys for magnetic and structural use

    International Nuclear Information System (INIS)

    Lavorato, G; Bassi, F; De Rosa, H; Moya, J

    2008-01-01

    Massive amorphous metals (thicker than 1mm) are new types of material that could have a wide range of future applications due to a unique combination of their physical properties, mechanics and magnetics. Among these are the elevated tension of fracture and hardness, and excellent soft magnetic properties. Since 1960, when an amorphous metallic alloy was first discovered, progress has continued on the application possibilities for these materials. One of their main limitations, maximum obtainable thickness, has continued to increase, since at first thicknesses of a few microns were obtained. Now amorphous alloys more than 70 mm thick are obtained using different metallic elements. Since 1995 massive amorphous metals can be produced using Fe as the base element. At first they were made in order to achieve good soft magnetic properties (thicknesses of ∼5 mm) and later a renewed interest in their use as structural material led to the development of materials with thicknesses of 16 mm and paramagnetics at room temperature. Increasing the toughness of these materials is also a challenge and investigators have proposed several solutions, among them is the development of composite materials where dendrites from a solid solution act as crack stoppers of fissures that are spread by an amorphous matrix. This work presents the results of studies with two types of synthesized materials using the rapid cooling technique from injection copper mold casting at air temperature: 1) a massive amorphous metallic alloy with composition (Fe 0.375 Co 0 .375 B 0.2 Si 0.05 )96Nb 4 (at.%) and 2) a composite of solid solution dendrites α-(FeCo) scattered in an amorphous matrix with a composition similar to alloy 1. Using the samples obtained structural studies were made (optic and electronic microscopy SEM, XRD, EDAX, DTA), magnetic studies (coercive field and saturation magnetization) and mechanical studies (Vickers microhardness). The fully amorphous alloy could be obtained with a

  11. Zebrafish-Based Discovery of Antiseizure Compounds from the Red Sea: Pseurotin A2 and Azaspirofuran A.

    Science.gov (United States)

    Copmans, Daniëlle; Rateb, Mostafa; Tabudravu, Jioji N; Pérez-Bonilla, Mercedes; Dirkx, Nina; Vallorani, Riccardo; Diaz, Caridad; Pérez Del Palacio, José; Smith, Alan J; Ebel, Rainer; Reyes, Fernando; Jaspars, Marcel; de Witte, Peter A M

    2018-04-19

    In search for novel antiseizure drugs (ASDs), the European FP7-funded PharmaSea project used zebrafish embryos and larvae as a drug discovery platform to screen marine natural products to identify promising antiseizure hits in vivo for further development. Within the framework of this project, seven known heterospirocyclic γ-lactams, namely, pseurotin A, pseurotin A 2 , pseurotin F1, 11- O-methylpseurotin A, pseurotin D, azaspirofuran A, and azaspirofuran B, were isolated from the bioactive marine fungus Aspergillus fumigatus, and their antiseizure activity was evaluated in the larval zebrafish pentylenetetrazole (PTZ) seizure model. Pseurotin A 2 and azaspirofuran A were identified as antiseizure hits, while their close chemical analogues were inactive. Besides, electrophysiological analysis from the zebrafish midbrain demonstrated that pseurotin A 2 and azaspirofuran A also ameliorate PTZ-induced epileptiform discharges. Next, to determine whether these findings translate to mammalians, both compounds were analyzed in the mouse 6 Hz (44 mA) psychomotor seizure model. They lowered the seizure duration dose-dependently, thereby confirming their antiseizure properties and suggesting activity against drug-resistant seizures. Finally, in a thorough ADMET assessment, pseurotin A 2 and azaspirofuran A were found to be drug-like. Based on the prominent antiseizure activity in both species and the drug-likeness, we propose pseurotin A 2 and azaspirofuran A as lead compounds that are worth further investigation for the treatment of epileptic seizures. This study not only provides the first evidence of antiseizure activity of pseurotins and azaspirofurans, but also demonstrates the value of the zebrafish model in (marine) natural product drug discovery in general, and for ASD discovery in particular.

  12. A Vegetal Biopolymer-Based Biostimulant Promoted Root Growth in Melon While Triggering Brassinosteroids and Stress-Related Compounds

    Directory of Open Access Journals (Sweden)

    Luigi Lucini

    2018-04-01

    Full Text Available Plant biostimulants are receiving great interest for boosting root growth during the first phenological stages of vegetable crops. The present study aimed at elucidating the morphological, physiological, and metabolomic changes occurring in greenhouse melon treated with the biopolymer-based biostimulant Quik-link, containing lateral root promoting peptides, and lignosulphonates. The vegetal-based biopolymer was applied at five rates (0, 0.06, 0.12, 0.24, or 0.48 mL plant-1 as substrate drench. The application of biopolymer-based biostimulant at 0.12 and 0.24 mL plant-1 enhanced dry weight of melon leaves and total biomass by 30.5 and 27.7%, respectively, compared to biopolymer applications at 0.06 mL plant-1 and untreated plants. The root dry biomass, total root length, and surface in biostimulant-treated plants were significantly higher at 0.24 mL plant-1 and to a lesser extent at 0.12 and 0.48 mL plant-1, in comparison to 0.06 mL plant-1 and untreated melon plants. A convoluted biochemical response to the biostimulant treatment was highlighted through UHPLC/QTOF-MS metabolomics, in which brassinosteroids and their interaction with other hormones appeared to play a pivotal role. Root metabolic profile was more markedly altered than leaves, following application of the biopolymer-based biostimulant. Brassinosteroids triggered in roots could have been involved in changes of root development observed after biostimulant application. These hormones, once transported to shoots, could have caused an hormonal imbalance. Indeed, the involvement of abscisic acid, cytokinins, and gibberellin related compounds was observed in leaves following root application of the biopolymer-based biostimulant. Nonetheless, the treatment triggered an accumulation of several metabolites involved in defense mechanisms against biotic and abiotic stresses, such as flavonoids, carotenoids, and glucosinolates, thus potentially improving resistance toward plant stresses.

  13. InSourcerer: a high-throughput method to search for unknown metabolite modifications by mass spectrometry.

    Science.gov (United States)

    Mrzic, Aida; Lermyte, Frederik; Vu, Trung Nghia; Valkenborg, Dirk; Laukens, Kris

    2017-09-15

    Using mass spectrometry, the analysis of known metabolite structures has become feasible in a systematic high-throughput fashion. Nevertheless, the identification of previously unknown structures remains challenging, partially because many unidentified variants originate from known molecules that underwent unexpected modifications. Here, we present a method for the discovery of unknown metabolite modifications and conjugate metabolite isoforms in a high-throughput fashion. The method is based on user-controlled in-source fragmentation which is used to induce loss of weakly bound modifications. This is followed by the comparison of product ions from in-source fragmentation and collision-induced dissociation (CID). Diagonal MS 2 -MS 3 matching allows the detection of unknown metabolite modifications, as well as substructure similarities. As the method relies heavily on the advantages of in-source fragmentation and its ability to 'magically' elucidate unknown modification, we have named it inSourcerer as a portmanteau of in-source and sorcerer. The method was evaluated using a set of 15 different cytokinin standards. Product ions from in-source fragmentation and CID were compared. Hierarchical clustering revealed that good matches are due to the presence of common substructures. Plant leaf extract, spiked with a mix of all 15 standards, was used to demonstrate the method's ability to detect these standards in a complex mixture, as well as confidently identify compounds already present in the plant material. Here we present a method that incorporates a classic liquid chromatography/mass spectrometry (LC/MS) workflow with fragmentation models and computational algorithms. The assumptions upon which the concept of the method was built were shown to be valid and the method showed that in-source fragmentation can be used to pinpoint structural similarities and indicate the occurrence of a modification. Copyright © 2017 John Wiley & Sons, Ltd.

  14. Analysing Trust Transitivity and The Effects of Unknown Dependence

    Directory of Open Access Journals (Sweden)

    Touhid Bhuiyan

    2010-03-01

    Full Text Available Trust can be used to improve online automated recommendation within a given domain. Trust transitivity is used to make it successful. But trust transitivity has different interpretations. Trust and trust transitivity; both are the human mental phenomenon and for this reason, there is no such thing as objective transitivity. Trust transitivity and trust fusion both are important elements in computational trust. This paper analyses the parameter dependence problem in trust transitivity and proposes some definitions considering the effects of base rate. In addition, it also proposes belief functions based on subjective logic to analyse trust transitivity of three specified cases with sensitive and insensitive based rate. Then it presents a quantitative analysis of the effects of unknown dependence problem in an interconnected network environment; such Internet.

  15. Fracture toughness of heat cured denture base acrylic resin modified with Chlorhexidine and Fluconazole as bioactive compounds.

    Science.gov (United States)

    Al-Haddad, Alaa; Vahid Roudsari, Reza; Satterthwaite, Julian D

    2014-02-01

    This study investigated the impact of incorporating Chlorhexidine and Fluconazole as bioactive compounds on the fracture toughness of conventional heat cured denture base acrylic resin material (PMMA). 30 single edge-notched (SEN) samples were prepared and divided into three groups. 10% (mass) Chlorhexidine and 10% (mass) Diflucan powder (4.5% mass Fluconazole) were added to heat cured PMMA respectively to create the two study groups. A third group of conventional heat cured PMMA was prepared as the control group. Fracture toughness (3-point bending test) was carried out for each sample and critical force (Fc) and critical stress intensity factor (KIC) values measured. Data were subject to parametric statistical analysis using one-way ANOVA and Post hoc Bonferroni test (p=0.05). Fluconazole had no significant effect on the fracture toughness of the PMMA while Chlorhexidine significantly reduced the KIC and therefore affected the fracture toughness. When considering addition of a bioactive material to PMMA acrylic, Chlorhexidine will result in reduced fracture toughness of the acrylic base while Fluconazole has no effect. Copyright © 2013 Elsevier Ltd. All rights reserved.

  16. Industrial sector-based volatile organic compound (VOC) source profiles measured in manufacturing facilities in the Pearl River Delta, China.

    Science.gov (United States)

    Zheng, Junyu; Yu, Yufan; Mo, Ziwei; Zhang, Zhou; Wang, Xinming; Yin, Shasha; Peng, Kang; Yang, Yang; Feng, Xiaoqiong; Cai, Huihua

    2013-07-01

    Industrial sector-based VOC source profiles are reported for the Pearl River Delta (PRD) region, China, based source samples (stack emissions and fugitive emissions) analyzed from sources operating under normal conditions. The industrial sectors considered are printing (letterpress, offset and gravure printing processes), wood furniture coating, shoemaking, paint manufacturing and metal surface coating. More than 250 VOC species were detected following US EPA methods TO-14 and TO-15. The results indicated that benzene and toluene were the major species associated with letterpress printing, while ethyl acetate and isopropyl alcohol were the most abundant compounds of other two printing processes. Acetone and 2-butanone were the major species observed in the shoemaking sector. The source profile patterns were found to be similar for the paint manufacturing, wood furniture coating, and metal surface coating sectors, with aromatics being the most abundant group and oxygenated VOCs (OVOCs) as the second largest contributor in the profiles. While OVOCs were one of the most significant VOC groups detected in these five industrial sectors in the PRD region, they have not been reported in most other source profile studies. Such comparisons with other studies show that there are differences in source profiles for different regions or countries, indicating the importance of developing local source profiles. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

  17. Illumination uniformity issue explored via two-stage solar concentrator system based on Fresnel lens and compound flat concentrator

    International Nuclear Information System (INIS)

    Yeh, Naichia

    2016-01-01

    This paper illustrates details about the solar radiation distribution on the target of a two-stage solar concentrator that combines the Fresnel lens (FL) and the compound flat concentrator (CFC). The paper starts with a review of some FL development milestones such as the two-stage systems and the comparisons of flat vs. curved lenses in addition to the most noteworthy FL-based solar energy application, concentration photovoltaic (CPV). Through the review of the FL based CPV and two-stage concentrators, this study leads to the development of an algorithm to explore the spectrum distribution insight on the receiver of a two-stage (FL plus CFC) solar concentration system. It established the potential for using a correctly positioned 2nd stage reflector of right dimension to selectively redirect the desired spectrum on the target area so as to enhance the concentration flux intensity and uniformity at the same time. The study also helped to chart out the approximate locations of certain spectrum segments on the FL's target area, which is useful for exploring the spectrum control mechanism via the Fresnel lenses. - Highlights: • Map out the approximate locations of spectrum segments on FL's focal area. • Use the 2nd stage reflector to selectively reflect the desired spectrum on target. • Explore the spectrum distribution insight on FL solar concentrators' target area.

  18. Atmospheric turbulence profiling with unknown power spectral density

    Science.gov (United States)

    Helin, Tapio; Kindermann, Stefan; Lehtonen, Jonatan; Ramlau, Ronny

    2018-04-01

    Adaptive optics (AO) is a technology in modern ground-based optical telescopes to compensate for the wavefront distortions caused by atmospheric turbulence. One method that allows to retrieve information about the atmosphere from telescope data is so-called SLODAR, where the atmospheric turbulence profile is estimated based on correlation data of Shack-Hartmann wavefront measurements. This approach relies on a layered Kolmogorov turbulence model. In this article, we propose a novel extension of the SLODAR concept by including a general non-Kolmogorov turbulence layer close to the ground with an unknown power spectral density. We prove that the joint estimation problem of the turbulence profile above ground simultaneously with the unknown power spectral density at the ground is ill-posed and propose three numerical reconstruction methods. We demonstrate by numerical simulations that our methods lead to substantial improvements in the turbulence profile reconstruction compared to the standard SLODAR-type approach. Also, our methods can accurately locate local perturbations in non-Kolmogorov power spectral densities.

  19. Carbon based magnetism an overview of the magnetism of metal free carbon-based compounds and materials

    CERN Document Server

    Makarova, Tatiana

    2006-01-01

    Magnetism is one of the most intriguing phenomena observed in nature. Magnetism is relevant to physics and geology, biology and chemistry. Traditional magnets, an ubiquitous part of many everyday gadgets, are made of heavy iron- or nickel based materials. Recently there have been reports on the observation of magnetism in carbon, a very light and biocompatible element. Metal-free carbon structures exhibiting magnetic ordering represent a new class of materials and open a novel field of research that could lead to many new technologies. · The most complete, detailed, and accurate Guide in the magnetism of carbon · Dynamically written by the leading experts · Deals with recent scientific highlights · Gathers together chemists and physicists, theoreticians and experimentalists · Unified treatment rather than a series of individually authored papers · Description of genuine organic molecular ferromagnets · Unique description of new carbon materials with Curie temperatures well above ambient.

  20. Detection of palytoxin-like compounds by a flow cytometry-based immunoassay supported by functional and analytical methods.

    Science.gov (United States)

    Fraga, María; Vilariño, Natalia; Louzao, M Carmen; Fernández, Diego A; Poli, Mark; Botana, Luis M

    2016-01-15

    Palytoxin (PLTX) is a complex marine toxin produced by zoanthids (i.e. Palythoa), dinoflagellates (Ostreopsis) and cyanobacteria (Trichodesmium). PLTX outbreaks are usually associated with Indo-Pacific waters, however their recent repeated occurrence in Mediterranean-European Atlantic coasts demonstrate their current worldwide distribution. Human sickness and fatalities have been associated with toxic algal blooms and ingestion of seafood contaminated with PLTX-like molecules. These toxins represent a serious threat to human health. There is an immediate need to develop easy-to-use, rapid detection methods due to the lack of validated protocols for their detection and quantification. We have developed an immuno-detection method for PLTX-like molecules based on the use of microspheres coupled to flow-cytometry detection (Luminex 200™). The assay consisted of the competition between free PLTX-like compounds in solution and PLTX immobilized on the surface of microspheres for binding to a specific monoclonal anti-PLTX antibody. This method displays an IC50 of 1.83 ± 0.21 nM and a dynamic range of 0.47-6.54 nM for PLTX. An easy-to-perform extraction protocol, based on a mixture of methanol and acetate buffer, was applied to spiked mussel samples providing a recovery rate of 104 ± 8% and a range of detection from 374 ± 81 to 4430 ± 150 μg kg(-1) when assayed with this method. Extracts of Ostreopsis cf. siamensis and Palythoa tuberculosa were tested and yielded positive results for PLTX-like molecules. However, the data obtained for the coral sample suggested that this antibody did not detect 42-OH-PLTX efficiently. The same samples were further analyzed using a neuroblastoma cytotoxicity assay and UPLC-IT-TOF spectrometry, which also pointed to the presence of PLTX-like compounds. Therefore, this single detection method for PLTX provides a semi-quantitative tool useful for the screening of PLTX-like molecules in different matrixes. Copyright © 2015

  1. Biorefineries based on coffee cut-stems and sugarcane bagasse: furan-based compounds and alkanes as interesting products.

    Science.gov (United States)

    Aristizábal M, Valentina; Gómez P, Álvaro; Cardona A, Carlos A

    2015-11-01

    This work presents a techno-economic and environmental assessment for a biorefinery based on sugarcane bagasse (SCB), and coffee cut-stems (CCS). Five scenarios were evaluated at different levels, conversion pathways, feedstock distribution, and technologies to produce ethanol, octane, nonane, furfural, and hydroxymethylfurfural (HMF). These scenarios were compared between each other according to raw material, economic, and environmental characteristics. A single objective function combining the Net Present Value and the Potential Environmental Impact was used through the Analytic Hierarchy Process approach to understand and select the best configurations for SCB and CCS cases. The results showed that the configuration with the best economic and environmental performance for SCB and CCS is the one that considers ethanol, furfural, and octane production (scenario 1). The global economic margin was 62.3% and 61.6% for SCB and CCS respectively. The results have shown the potential of these types of biomass to produce fuels and platform products. Copyright © 2015 Elsevier Ltd. All rights reserved.

  2. Health promoting compounds in vegetables and fruits:

    DEFF Research Database (Denmark)

    Brandt, K.; Christensen, L.P.; Hansen-Møller, J.

    2004-01-01

    Vegetables contain unknown compounds with important health promoting effect. The described project defined and tested a two-step screening procedure for identification of such compounds. Step 1 is initial screening according to three criteria: 1.1, chemically reactive functional groups; 1...

  3. Students' Distributive Reasoning with Fractions and Unknowns

    Science.gov (United States)

    Hackenberg, Amy J.; Lee, Mi Yeon

    2016-01-01

    To understand relationships between students' quantitative reasoning with fractions and their algebraic reasoning, a clinical interview study was conducted with 18 middle and high school students. The study included six students with each of three different multiplicative concepts, which are based on how students create and coordinate composite…

  4. Effects of Copper-based Compounds, Antibiotics and a Plant Activator on Population Sizes and Spread of Clavibacter michiganensis subsp. michiganensis in Greenhouse Tomato Seedlings

    Directory of Open Access Journals (Sweden)

    Svetlana Milijašević

    2009-01-01

    Full Text Available Three copper-based compounds (copper hydroxide, copper oxychloride, copper sulphate, two antibiotics (streptomycin and kasugamycin and a plant activator (ASM significantly reduced population sizes and spread of C. michiganensis subsp. michiganensis among tomatoseedlings in the greenhouse. Streptomycin had the best effect in reducing pathogen population size in all sampling regions. Moreover, this antibiotic completely stopped the spread of C. michiganensis subsp. michiganensis in the region most distant from the inoculumfocus. Copper hydroxide mixed with streptomycin significantly limited the pathogen population, compared with copper hydroxide alone, the other copper-based compounds, ASM and kasugamycin. However, combining streptomycin with copper hydroxide did notcontribute to its greater efficacy against the pathogen population. Copper-based compounds, in general, were less effective in limiting pathogen population sizes than the other treatments in all three sampling regions, primarily copper oxychloride and the combinationof copper hydroxide and mancozeb. Among copper compounds, copper hydroxide was the most prominent in reducing the bacterial population, especially in the region closest to the inoculum focus, while its combination with mancozeb did not improve the effects. Kasugamycin significantly limited pathogen population size, compared to copper bactericides, but it was less effective than the other antibiotic compound, i.e. streptomycin. The plant activator ASM significantly reduced population density, and it was more effectivewhen used three days prior to inoculation than six days before inoculation.

  5. Organolanthanoid compounds

    International Nuclear Information System (INIS)

    Schumann, H.

    1984-01-01

    Up to little more than a decade ago organolanthanoid compounds were still a curiosity. Apart from the description of an isolated number of cyclopentadienyl and indenyl derivatives, very few significant contributions had been made to this interesting sector of organometallic chemistry. However, subsequent systematic studies using modern preparative and analytical techniques, together with X-ray single crystal structure determinations, enabled the isolation and characterization of a large number of very interesting homoleptic and heteroleptic compounds in which the lanthanoid is bound to hydrogen, to substituted or unsubstituted cyclopentadienyl groups, to allyl or alkynyl groups, or even to phosphorus ylides, trimethylsilyl, and carbonylmetal groups. These compounds, which are all extremely sensitive to oxygen and water, open up new possibilities in the field of catalysis and have great potential in organic synthesis - as recent studies with pentamethylcyclopentadienyl derivatives, organolanthanoid(II) compounds, and hexamethyllanthanoid complexes have already shown. (orig.) [de

  6. Questing and the application for silicon based ternary compound within ultra-thin layer of SIS intermediate region

    International Nuclear Information System (INIS)

    Chen, Shumin; Gao, Ming; Wan, Yazhou; Du, Huiwei; Li, Yong; Ma, Zhongquan

    2016-01-01

    Highlights: • A new kind of functional material with plasticity of dielectric was obtained. • Powerful characterization methods was exploited to determine this ultra-thin layer. • The electronic structures and properties of this intermediate layer were analyzed. • A potential application of this structure were investigated. - Abstract: A silicon based ternary compound was supposed to be solid synthesized with In, Si and O elements by magnetron sputtering of indium tin oxide target (ITO) onto crystal silicon substrate at 250 °C. To make clear the configuration of the intermediate region, a potential method to obtain the chemical bonding of Si with other existing elements was exploited by X-ray photoelectron spectroscopy (XPS) instrument combined with other assisted techniques. The phase composition and solid structure of the interfacial region between ITO and Si substrate were investigated by X-ray diffraction (XRD) and high resolution cross sectional transmission electron microscope (HR-TEM). A photovoltaic device with structure of Al/Ag/ITO/SiOx/p-Si/Al was assembled by depositing ITO films onto the p-Si substrate by using magnetron sputtering. The new matter has been assumed to be a buffer layer for semiconductor-insulator-semiconductor (SIS) photovoltaic device and plays critical role for the promotion of optoelectronic conversion performance from the view point of device physics.

  7. Amperometric Biosensor Based on Zirconium Oxide/Polyethylene Glycol/Tyrosinase Composite Film for the Detection of Phenolic Compounds.

    Science.gov (United States)

    Ahmad, Nor Monica; Abdullah, Jaafar; Yusof, Nor Azah; Ab Rashid, Ahmad Hazri; Abd Rahman, Samsulida; Hasan, Md Rakibul

    2016-06-29

    A phenolic biosensor based on a zirconium oxide/polyethylene glycol/tyrosinase composite film for the detection of phenolic compounds has been explored. The formation of the composite film was expected via electrostatic interaction between hexacetyltrimethylammonium bromide (CTAB), polyethylene glycol (PEG), and zirconium oxide nanoparticles casted on screen printed carbon electrode (SPCE). Herein, the electrode was treated by casting hexacetyltrimethylammonium bromide on SPCE to promote a positively charged surface. Later, zirconium oxide was mixed with polyethylene glycol and the mixture was dropped cast onto the positively charged SPCE/CTAB. Tyrosinase was further immobilized onto the modified SPCE. Characterization of the prepared nanocomposite film and the modified SPCE surface was investigated by scanning electron microscopy (SEM), Electrochemical Impedance Spectroscopy (EIS), and Cyclic voltamogram (CV). The developed biosensor exhibits rapid response for less than 10 s. Two linear calibration curves towards phenol in the concentrations ranges of 0.075-10 µM and 10-55 µM with the detection limit of 0.034 µM were obtained. The biosensor shows high sensitivity and good storage stability for at least 30 days.

  8. Snowflake-Shaped ZnO Nanostructures-Based Gas Sensor for Sensitive Detection of Volatile Organic Compounds

    Directory of Open Access Journals (Sweden)

    Tianli Han

    2017-01-01

    Full Text Available Volatile organic compounds (VOCs have been considered severe risks to human health. Gas sensors for the sensitive detection of VOCs are highly required. However, the preparation of gas-sensing materials with a high gas diffusion performance remains a great challenge. Here, through a simple hydrothermal method accompanied with a subsequent thermal treatment, a special porous snowflake-shaped ZnO nanostructure was presented for sensitive detection of VOCs including diethyl ether, methylbenzene, and ethanol. The fabricated gas sensors exhibit a good sensing performance including high responses to VOCs and a short response/recovery time. The responses of the ZnO-based gas sensor to 100 ppm ethanol, methylbenzene, and diethyl ether are about 27, 21, and 11, respectively, while the response times to diethyl ether and methylbenzene are less than 10 seconds. The gas adsorption-desorption kinetics is also investigated, which shows that the gas-sensing behaviors to different target gases are remarkably different, making it possible for target recognition in practical applications.

  9. Optical detection of organophosphorus compounds based on Mn-doped ZnSe d-dot enzymatic catalytic sensor.

    Science.gov (United States)

    Gao, Xue; Tang, Guangchao; Su, Xingguang

    2012-01-01

    In this paper, we report a sensitive and selective method for detection of organophosphorus compounds (OPs) based on Mn:ZnSe d-dots-enzyme-hydrogen peroxide (H(2)O(2)) fluorescence quenching system. Acetylcholine esterase (AChE) can hydrolyze acetylcholine (ACh) to choline. Subsequently, choline oxidase (ChOx) oxidizes choline to generate H(2)O(2). The enzyme-generated H(2)O(2) can quench the fluorescence of Mn:ZnSe d-dots. When paraoxon are introduced in solution, it can interact with the active centers of AChE and decrease the enzyme activity. This leads to the decrease of the H(2)O(2) production and then the fluorescence quenching rate of Mn:ZnSe d-dots. Experimental results showed that the enzyme inhibition percentage of Mn:ZnSe d-dots-ChOx-AChE-ACh system was proportional to the logarithm of paraoxon in the range 4.84×10(-11) to 4.84×10(-6) mol/L with the detection limit (S/N=3) of 1.31×10(-11) mol/L. The proposed biosensor has been employed for quick determination of paraoxon in tap water and milk samples with satisfactory reproducibility and accuracy. This nano-biosensor was proved to be sensitive, rapid, simple and tolerance of most interfering substances. Copyright © 2012 Elsevier B.V. All rights reserved.

  10. Amperometric Biosensor Based on Zirconium Oxide/Polyethylene Glycol/Tyrosinase Composite Film for the Detection of Phenolic Compounds

    Directory of Open Access Journals (Sweden)

    Nor Monica Ahmad

    2016-06-01

    Full Text Available A phenolic biosensor based on a zirconium oxide/polyethylene glycol/tyrosinase composite film for the detection of phenolic compounds has been explored. The formation of the composite film was expected via electrostatic interaction between hexacetyltrimethylammonium bromide (CTAB, polyethylene glycol (PEG, and zirconium oxide nanoparticles casted on screen printed carbon electrode (SPCE. Herein, the electrode was treated by casting hexacetyltrimethylammonium bromide on SPCE to promote a positively charged surface. Later, zirconium oxide was mixed with polyethylene glycol and the mixture was dropped cast onto the positively charged SPCE/CTAB. Tyrosinase was further immobilized onto the modified SPCE. Characterization of the prepared nanocomposite film and the modified SPCE surface was investigated by scanning electron microscopy (SEM, Electrochemical Impedance Spectroscopy (EIS, and Cyclic voltamogram (CV. The developed biosensor exhibits rapid response for less than 10 s. Two linear calibration curves towards phenol in the concentrations ranges of 0.075–10 µM and 10–55 µM with the detection limit of 0.034 µM were obtained. The biosensor shows high sensitivity and good storage stability for at least 30 days.

  11. Azole-Anion-Based Aprotic Ionic Liquids: Functional Solvents for Atmospheric CO2 Transformation into Various Heterocyclic Compounds.

    Science.gov (United States)

    Zhao, Yanfei; Wu, Yunyan; Yuan, Guangfeng; Hao, Leiduan; Gao, Xiang; Yang, Zhenzhen; Yu, Bo; Zhang, Hongye; Liu, Zhimin

    2016-10-06

    The chemical transformation of atmospheric CO 2 is of great significance yet still poses a great challenge. Herein, azole-anion-based aprotic ionic liquids (ILs) were synthesized by the deprotonation of weak proton donors (e.g., 2-methylimidazole, 4-methylimidazole, and 2,4-dimethylimidazole) with tetrabutylphosphonium hydroxide, [Bu 4 P][OH]. We found that these ILs, such as [Bu 4 P][2-MIm], could activate atmospheric CO 2 through the formation of carbamates. The resultant carbamate intermediates could further react with various types of substrate, including propargylic alcohols, 2-aminobenzonitriles, ortho-phenylenediamines, and 2-aminothiophenol, thereby producing α-alkylidene cyclic carbonates, quinazoline-2,4(1 H,3 H)-diones, benzimidazolones, and benzothiazoline, respectively, in moderate-to-good yields. Thus, we have achieved the transformation of CO 2 at atmospheric pressure, and we expect this method to open up new routes for the synthesis of various oxygen-containing heterocyclic compounds under metal-free conditions. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Questing and the application for silicon based ternary compound within ultra-thin layer of SIS intermediate region

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Shumin; Gao, Ming; Wan, Yazhou; Du, Huiwei; Li, Yong [SHU-SolarE R& D Lab, Department of Physics, Shanghai University, Shanghai 200444 (China); Ma, Zhongquan, E-mail: zqma@shu.edu.cn [SHU-SolarE R& D Lab, Department of Physics, Shanghai University, Shanghai 200444 (China); Instrumental Analysis & Research Center, Shanghai University, Shanghai 200444 (China)

    2016-12-01

    Highlights: • A new kind of functional material with plasticity of dielectric was obtained. • Powerful characterization methods was exploited to determine this ultra-thin layer. • The electronic structures and properties of this intermediate layer were analyzed. • A potential application of this structure were investigated. - Abstract: A silicon based ternary compound was supposed to be solid synthesized with In, Si and O elements by magnetron sputtering of indium tin oxide target (ITO) onto crystal silicon substrate at 250 °C. To make clear the configuration of the intermediate region, a potential method to obtain the chemical bonding of Si with other existing elements was exploited by X-ray photoelectron spectroscopy (XPS) instrument combined with other assisted techniques. The phase composition and solid structure of the interfacial region between ITO and Si substrate were investigated by X-ray diffraction (XRD) and high resolution cross sectional transmission electron microscope (HR-TEM). A photovoltaic device with structure of Al/Ag/ITO/SiOx/p-Si/Al was assembled by depositing ITO films onto the p-Si substrate by using magnetron sputtering. The new matter has been assumed to be a buffer layer for semiconductor-insulator-semiconductor (SIS) photovoltaic device and plays critical role for the promotion of optoelectronic conversion performance from the view point of device physics.

  13. Bioactive compounds of fourth generation gamma-irradiated Typhoniumflagelliforme Lodd. mutants based on gas chromatography-mass spectrometry

    Science.gov (United States)

    Sianipar, N. F.; Purnamaningsih, R.; Rosaria

    2016-08-01

    Rodent tuber (Typhonium flagelliforme Lodd.) is an Indonesian anticancer medicinal plant. The natural genetic diversity of rodent tuber is low due to vegetative propagation. Plant's genetic diversity has to be increased for obtaining clones which contain a high amount of anticancer compounds. In vitro calli were irradiated with 6 Gy of gamma ray to produce in vitro mutant plantlets. Mutant plantlets were acclimated and propagated in a greenhouse. This research was aimed to identify the chemical compounds in the leaves and tubers ofthe fourth generation of rodent tuber's vegetative mutant clones (MV4) and control plantsby using GC- MS method. Leaves and tubers of MV4 each contained 2 and 5 anticancer compounds which quantities were higher compared to control plants. MV4 leaves contained 5 new anticancer compounds while its tubers contained 3 new anticancer compounds which were not found in control. The new anticancer compounds in leaves were hexadecanoic acid, stigmast-5-en-3-ol, ergost-5-en-3-ol, farnesol isomer a, and oleic acid while the new anticancer compounds in tubers were alpha tocopherol, ergost-5-en-3-ol, and beta-elemene. Rodent tuber mutant clones are very potential to be developed into anticancer drugs.

  14. Prediction of Positions of Active Compounds Makes It Possible To Increase Activity in Fragment-Based Drug Development

    Directory of Open Access Journals (Sweden)

    Yoshifumi Fukunishi

    2011-05-01

    Full Text Available We have developed a computational method that predicts the positions of active compounds, making it possible to increase activity as a fragment evolution strategy. We refer to the positions of these compounds as the active position. When an active fragment compound is found, the following lead generation process is performed, primarily to increase activity. In the current method, to predict the location of the active position, hydrogen atoms are replaced by small side chains, generating virtual compounds. These virtual compounds are docked to a target protein, and the docking scores (affinities are examined. The hydrogen atom that gives the virtual compound with good affinity should correspond to the active position and it should be replaced to generate a lead compound. This method was found to work well, with the prediction of the active position being 2 times more efficient than random synthesis. In the current study, 15 examples of lead generation were examined. The probability of finding active positions among all hydrogen atoms was 26%, and the current method accurately predicted 60% of the active positions.

  15. Group prioritisation with unknown expert weights in incomplete linguistic context

    Science.gov (United States)

    Cheng, Dong; Cheng, Faxin; Zhou, Zhili; Wang, Juan

    2017-09-01

    In this paper, we study a group prioritisation problem in situations when the expert weights are completely unknown and their judgement preferences are linguistic and incomplete. Starting from the theory of relative entropy (RE) and multiplicative consistency, an optimisation model is provided for deriving an individual priority vector without estimating the missing value(s) of an incomplete linguistic preference relation. In order to address the unknown expert weights in the group aggregating process, we define two new kinds of expert weight indicators based on RE: proximity entropy weight and similarity entropy weight. Furthermore, a dynamic-adjusting algorithm (DAA) is proposed to obtain an objective expert weight vector and capture the dynamic properties involved in it. Unlike the extant literature of group prioritisation, the proposed RE approach does not require pre-allocation of expert weights and can solve incomplete preference relations. An interesting finding is that once all the experts express their preference relations, the final expert weight vector derived from the DAA is fixed irrespective of the initial settings of expert weights. Finally, an application example is conducted to validate the effectiveness and robustness of the RE approach.

  16. Unknown quantum states: The quantum de Finetti representation

    International Nuclear Information System (INIS)

    Caves, Carlton M.; Fuchs, Christopher A.; Schack, Ruediger

    2002-01-01

    We present an elementary proof of the quantum de Finetti representation theorem, a quantum analog of de Finetti's classical theorem on exchangeable probability assignments. This contrasts with the original proof of Hudson and Moody [Z. Wahrschein. verw. Geb. 33, 343 (1976)], which relies on advanced mathematics and does not share the same potential for generalization. The classical de Finetti theorem provides an operational definition of the concept of an unknown probability in Bayesian probability theory, where probabilities are taken to be degrees of belief instead of objective states of nature. The quantum de Finetti theorem, in a closely analogous fashion, deals with exchangeable density-operator assignments and provides an operational definition of the concept of an ''unknown quantum state'' in quantum-state tomography. This result is especially important for information-based interpretations of quantum mechanics, where quantum states, like probabilities, are taken to be states of knowledge rather than states of nature. We further demonstrate that the theorem fails for real Hilbert spaces and discuss the significance of this point

  17. Reactive Path Planning Approach for Docking Robots in Unknown Environment

    Directory of Open Access Journals (Sweden)

    Peng Cui

    2017-01-01

    Full Text Available Autonomous robots need to be recharged and exchange information with the host through docking in the long-distance tasks. Therefore, feasible path is required in the docking process to guide the robot and adjust its pose. However, when there are unknown obstacles in the work area, it becomes difficult to determine the feasible path for docking. This paper presents a reactive path planning approach named Dubins-APF (DAPF to solve the path planning problem for docking in unknown environment with obstacles. In this proposed approach the Dubins curves are combined with the designed obstacle avoidance potential field to plan the feasible path. Firstly, an initial path is planned and followed according to the configurations of the robot and the docking station. Then when the followed path is evaluated to be infeasible, the intermediate configuration is calculated as well as the replanned path based on the obstacle avoidance potential field. The robot will be navigated to the docking station with proper pose eventually via the DAPF approach. The proposed DAPF approach is efficient and does not require the prior knowledge about the environment. Simulation results are given to validate the effectiveness and feasibility of the proposed approach.

  18. Feature-based fast grasping for unknown objects

    NARCIS (Netherlands)

    Lei, Q.

    2018-01-01

    According to the report by the United Nations in 2015, the global population of older persons aged 60 years or over is predicted to grow to 1.4 billion by 2030. A rapidly aging population poses a challenging problem for human beings, i.e. supply shortage of working-age people. To solve this problem,

  19. Distributed Optimization Design of Continuous-Time Multiagent Systems With Unknown-Frequency Disturbances.

    Science.gov (United States)

    Wang, Xinghu; Hong, Yiguang; Yi, Peng; Ji, Haibo; Kang, Yu

    2017-05-24

    In this paper, a distributed optimization problem is studied for continuous-time multiagent systems with unknown-frequency disturbances. A distributed gradient-based control is proposed for the agents to achieve the optimal consensus with estimating unknown frequencies and rejecting the bounded disturbance in the semi-global sense. Based on convex optimization analysis and adaptive internal model approach, the exact optimization solution can be obtained for the multiagent system disturbed by exogenous disturbances with uncertain parameters.

  20. Adding control to arbitrary unknown quantum operations

    Science.gov (United States)

    Zhou, Xiao-Qi; Ralph, Timothy C.; Kalasuwan, Pruet; Zhang, Mian; Peruzzo, Alberto; Lanyon, Benjamin P.; O'Brien, Jeremy L.

    2011-01-01

    Although quantum computers promise significant advantages, the complexity of quantum algorithms remains a major technological obstacle. We have developed and demonstrated an architecture-independent technique that simplifies adding control qubits to arbitrary quantum operations—a requirement in many quantum algorithms, simulations and metrology. The technique, which is independent of how the operation is done, does not require knowledge of what the operation is, and largely separates the problems of how to implement a quantum operation in the laboratory and how to add a control. Here, we demonstrate an entanglement-based version in a photonic system, realizing a range of different two-qubit gates with high fidelity. PMID:21811242

  1. A genetically-based latitudinal cline in the emission of herbivore-induced plant volatile organic compounds.

    Science.gov (United States)

    Wason, Elizabeth L; Agrawal, Anurag A; Hunter, Mark D

    2013-08-01

    The existence of predictable latitudinal variation in plant defense against herbivores remains controversial. A prevailing view holds that higher levels of plant defense evolve at low latitudes compared to high latitudes as an adaptive plant response to higher herbivore pressure on low-latitude plants. To date, this prediction has not been examined with respect to volatile organic compounds (VOCs) that many plants emit, often thus attracting the natural enemies of herbivores. Here, we compared genetically-based constitutive and herbivore-induced aboveground vegetative VOC emissions from plants originating across a gradient of more than 10° of latitude (>1,500 km). We collected headspace VOCs from Asclepias syriaca (common milkweed) originating from 20 populations across its natural range and grown in a common garden near the range center. Feeding by specialist Danaus plexippus (monarch) larvae induced VOCs, and field environmental conditions (temperature, light, and humidity) also influenced emissions. Monarch damage increased plant VOC concentrations and altered VOC blends. We found that genetically-based induced VOC emissions varied with the latitude of plant population origin, although the pattern followed the reverse of that predicted-induced VOC concentration increased with increasing latitude. This pattern appeared to be driven by a greater induction of sesquiterpenoids at higher latitudes. In contrast, constitutive VOC emission did not vary systematically with latitude, and the induction of green leafy volatiles declined with latitude. Our results do not support the prevailing view that plant defense is greater at lower than at higher latitudes. That the pattern holds only for herbivore-induced VOC emission, and not constitutive emission, suggests that latitudinal variation in VOCs is not a simple adaptive response to climatic factors.

  2. Screening the Emission Sources of Volatile Organic Compounds (VOCs) in China Based on Multi-effect Evaluation

    Science.gov (United States)

    Niu, H., Jr.

    2015-12-01

    Volatile organic compounds (VOCs) in the atmosphere have adverse impacts via three main pathways: photochemical ozone formation, secondary organic aerosol production, and direct toxicity to humans. Few studies have integrated these effects to prioritize control measures for VOCs sources. In this study, we developed a multi-effect evaluation methodology based on updated emission inventories and source profiles, which was combined with ozone formation potential (OFP), secondary organic aerosol potential (SOAP), and VOC toxicity data to identify important emission sources and key species. We derived species-specific emission inventories for 152 sources. The OFPs, SOAPs, and toxicity of each source were determined, and the contribution and share of each source to each of these adverse effects was calculated. Weightings were given to the three adverse effects by expert scoring, and the integrated impact was determined. Using 2012 as the base year, solvent usage and industrial process were found to be the most important anthropogenic sources, accounting for 24.2 and 23.1% of the integrated environmental effect, respectively. This was followed by biomass burning, transportation, and fossil fuel combustion, all of which had a similar contribution ranging from 16.7 to 18.6%. The top five industrial sources, including plastic products, rubber products, chemical fiber products, the chemical industry, and oil refining, accounted for nearly 70.0% of industrial emissions. In China, emissions reductions are required for styrene, toluene, ethylene, benzene, and m/p-xylene. The 10 most abundant chemical species contributed 76.5% of the integrated impact. Beijing, Chongqing, Shanghai, Jiangsu, and Guangdong were the five leading provinces when considering the integrated effects. Besides, the chemical mass balance model (CMB) was used to verify the VOCs inventories of 47 cities in China, so as to optimize our evaluation results. We suggest that multi-effect evaluation is necessary to

  3. Study on search of unknown materials. 1; Michi busshitsu no tansaku ni kansuru kenkyu. 1

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-11-28

    This is No.92 report of National Institute for Research in Inorganic Materials, concerning search of unknown materials. Purposes of this study are to construct new chemical bond and reaction theory, to systematize the existing compounds, and to search and create the unknown materials, systematically. Structure prediction of electronic state was investigated by means of molecular dynamic method, to determine the electronic state and structure of multi-systems. For the magnetic semiconductors, interactions were investigated between the magnetic spin and electron or hole which is a carrier. The in-solid bond theory aims at clarifying the bond state of materials in which transition metal compounds and inter-electronic interactions are significant. Prediction of the electronic structure of unknown materials can suggest the design of new materials. In the fields of synthesis, design and synthesis of new inorganic ion exchanger and ionic conductor are investigated using Bi oxides and its related materials. There are a lot of compounds having various crystal forms for rare earth element oxides and transition metal oxides. To establish the system of material design, thermodynamics, phase equilibrium diagram, crystal structure, and physical properties of new materials were discussed. 168 refs., 127 figs., 44 tabs.

  4. Adsorptive removal of hydrophobic organic compounds by carbonaceous adsorbents: a comparative study of waste-polymer-based, coal-based activated carbon, and carbon nanotubes.

    Science.gov (United States)

    Lian, Fei; Chang, Chun; Du, Yang; Zhu, Lingyan; Xing, Baoshan; Liu, Chang

    2012-01-01

    Adsorption of the hydrophobic organic compounds (HOCs) trichloroethylene (TCE), 1,3-dichlorobenzene (DCB), 1,3-dinitrobenzene (DNB) and gamma-hexachlorocyclohexane (HCH) on five different carbonaceous materials was compared. The adsorbents included three polymer-based activated carbons, one coal-based activated carbon (F400) and multiwalled carbon nanotubes (MWNT). The polymer-based activated carbons were prepared using KOH activation from waste polymers: polyvinyl chloride (PVC), polyethyleneterephthalate (PET) and tire rubber (TR). Compared with F400 and MWNT, activated carbons derived from PVC and PET exhibited fast adsorption kinetics and high adsorption capacity toward the HOCs, attributed to their extremely large hydrophobic surface area (2700 m2/g) and highly mesoporous structures. Adsorption of small-sized TCE was stronger on the tire-rubber-based carbon and F400 resulting from the pore-filling effect. In contrast, due to the molecular sieving effect, their adsorption on HCH was lower. MWNT exhibited the lowest adsorption capacity toward HOCs because of its low surface area and characteristic of aggregating in aqueous solution.

  5. [Application of precursor ion scanning method in rapid screening of illegally added phosphodiesterase-5 inhibitors and their unknown derivatives in Chinese traditional patent medicines and health foods].

    Science.gov (United States)

    Sun, Jing; Cao, Ling; Feng, Youlong; Tan, Li

    2014-11-01

    The compounds with similar structure often have similar pharmacological activities. So it is a trend for illegal addition that new derivatives of effective drugs are synthesized to avoid the statutory test. This bring challenges to crack down on illegal addition behavior, however, modified derivatives usually have similar product ions, which allow for precursor ion scanning. In this work, precursor ion scanning mode of a triple quadrupole mass spectrometer was first applied to screen illegally added drugs in complex matrix such as Chinese traditional patent medicines and healthy foods. Phosphodiesterase-5 inhibitors were used as experimental examples. Through the analysis of the structure and mass spectrum characteristics of the compounds, phosphodiesterase-5 inhibitors were classified, and their common product ions were screened by full scan of product ions of typical compounds. Then high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) method with precursor ion scanning mode was established based on the optimization of MS parameters. The effect of mass parameters and the choice of fragment ions were also studied. The method was applied to determine actual samples and further refined. The results demonstrated that this method can meet the need of rapid screening of unknown derivatives of phosphodiesterase-5 inhibitors in complex matrix, and prevent unknown derivatives undetected. This method shows advantages in sensitivity, specificity and efficiency, and is worth to be further investigated.

  6. Neurological Autoantibody Prevalence in Epilepsy of Unknown Etiology.

    Science.gov (United States)

    Dubey, Divyanshu; Alqallaf, Abdulradha; Hays, Ryan; Freeman, Matthew; Chen, Kevin; Ding, Kan; Agostini, Mark; Vernino, Steven

    2017-04-01

    Autoimmune epilepsy is an underrecognized condition, and its true incidence is unknown. Identifying patients with an underlying autoimmune origin is critical because these patients' condition may remain refractory to conventional antiseizure medications but may respond to immunotherapy. To determine the prevalence of neurological autoantibodies (Abs) among adult patients with epilepsy of unknown etiology. Consecutive patients presenting to neurology services with new-onset epilepsy or established epilepsy of unknown etiology were identified. Serum samples were tested for autoimmune encephalitis Abs as well as thyroperoxidase (TPO) and glutamic acid decarboxylase 65 (GAD65) Abs. An antibody prevalence in epilepsy (APE) score based on clinical characteristics was assigned prospectively. Data were collected from June 1, 2015, to June 1, 2016. Presence of neurological Abs. A score based on clinical characteristics was assigned to estimate the probability of seropositivity prior to antibody test results. Good seizure outcome was estimated on the basis of significant reduction of seizure frequency at the first follow-up or seizure freedom. Of the 127 patients (68 males and 59 females) enrolled in the study, 15 were subsequently excluded after identification of an alternative diagnosis. Serum Abs suggesting a potential autoimmune etiology were detected in 39 (34.8%) cases. More than 1 Ab was detected in 7 patients (6.3%): 3 (2.7%) had TPO-Ab and voltage-gated potassium channel complex (VGKCc) Ab, 2 (1.8%) had GAD65-Ab and VGKCc-Ab, 1 had TPO-Ab and GAD65-Ab, and 1 had anti-Hu Ab and GAD65-Ab. Thirty-two patients (28.6%) had a single Ab marker. Among 112 patients included in the study, 15 (13.4%) had TPO-Ab, 14 (12.5%) had GAD65-Ab, 12 (10.7%) had VGKCc (4 of whom were positive for leucine-rich glioma-inactivated protein 1 [LGI1] Ab), and 4 (3.6%) had N-methyl-D-aspartate receptor (NMDAR) Ab. Even after excluding TPO-Ab and low-titer GAD65-Ab, Abs strongly suggesting an

  7. Structure Based Virtual Screening Studies to Identify Novel Potential Compounds for GPR142 and Their Relative Dynamic Analysis for Study of Type 2 Diabetes

    Directory of Open Access Journals (Sweden)

    Aman C. Kaushik

    2018-02-01

    Full Text Available GPR142 (G protein receptor 142 is a novel orphan GPCR (G protein coupled receptor belonging to “Class A” of GPCR family and expressed in β cells of pancreas. In this study, we reported the structure based virtual screening to identify the hit compounds which can be developed as leads for potential agonists. The results were validated through induced fit docking, pharmacophore modeling, and system biology approaches. Since, there is no solved crystal structure of GPR142, we attempted to predict the 3D structure followed by validation and then identification of active site using threading and ab initio methods. Also, structure based virtual screening was performed against a total of 1171519 compounds from different libraries and only top 20 best hit compounds were screened and analyzed. Moreover, the biochemical pathway of GPR142 complex with screened compound2 was also designed and compared with experimental data. Interestingly, compound2 showed an increase in insulin production via Gq mediated signaling pathway suggesting the possible role of novel GPR142 agonists in therapy against type 2 diabetes.

  8. Structure Based Virtual Screening Studies to Identify Novel Potential Compounds for GPR142 and Their Relative Dynamic Analysis for Study of Type 2 Diabetes

    Science.gov (United States)

    Kaushik, Aman C.; Kumar, Sanjay; Wei, Dong Q.; Sahi, Shakti

    2018-02-01

    GPR142 (G protein receptor 142) is a novel orphan GPCR (G protein coupled receptor) belonging to ‘Class A’ of GPCR family and expressed in beta cells of pancreas. In this study, we reported the structure based virtual screening to identify the hit compounds which can be developed as leads for potential agonists. The results were validated through induced fit docking, pharmacophore modeling and system biology approaches. Since, there is no solved crystal structure of GPR142, we attempted to predict the 3D structure followed by validation and then identification of active site using threading and ab initio methods. Also, structure based virtual screening was performed against a total of 1171519 compounds from different libraries and only top 20 best hit compounds were screened and analyzed. Moreover, the biochemical pathway of GPR142 complex with screened compound2 was also designed and compared with experimental data. Interestingly, compound2 showed an increase in insulin production via Gq mediated signaling pathway suggesting the possible role of novel GPR142 agonists in therapy against type 2 diabetes.

  9. TiO2–AgCl Based Nanoparticles for Photocatalytic Production of Phenolic Compounds from Lignocellulosic Residues

    DEFF Research Database (Denmark)

    Tsapekos, Panagiotis; Alvarado-Morales, Merlin; Boscaro, Davide

    2018-01-01

    Lignocellulosic biomass residues can be used as an interesting resource for the production of biochemicals or sustainable fuels. In this optic, lignin represents an interesting raw material for the production of chemicals, such as aromatic compounds, or fuels. This can contribute in moving away...... for optimal phenolic compounds production. It was found that the photocatalytic treatment boosted the phenolic production from wheat straw. The efficiency of the process depended on the initial pH and catalyst concentration. Process optimization towards increased phenolic compounds production was performed...... of toxic compounds presented in the catalyst-straw solution and specifically, HNO3 was toxic to methanogenic communities. Hence, to succeed in an efficient biorefinery framework where total phenols and biogas production are combined, the usage of HNO3 for catalyst synthesis should be avoided....

  10. Place attachment and disasters: Knowns and unknowns.

    Science.gov (United States)

    Jamali, Mehdi; Nejat, Ali

    When considering the factors important for disaster recovery, one must consider the attachment individuals have toward their living area. This article reviews and synthesizes the current literature on the determinants of place attachment in the context of postdisaster recovery. Although the majority of the reviewed articles focused on disaster recovery, there were some which had a broader scope and were included due to their importance. This research categorizes the determinants of place attachment into four categories: demographic, socioeconomic, spatial, and psychosocial. Age, ethnicity, and religion were grouped under the category of demographics. Job status, education, and property ownership were categorized under the socioeconomic category. Attachment to home, neighborhood, and city, together with attachment to rural and urban areas, were grouped under the spatial category. Finally, mental health status and community attachment were classified under the psychosocial heading. Based on the outcome of the aforementioned synthesis, this article develops a conceptual framework to guide future research.

  11. Synthesis and antibacterial activity of novel Pyrazolo [3, 4-B] quinoline based heterocyclic azo compounds and their dyeing performance

    International Nuclear Information System (INIS)

    Thaokar, Sanjay F.; Patel, Dinesh M.; Patel, Manish P.; Patel, Ranjan G.

    2007-01-01

    3-Amino-6-methyl-1H- pyrazolo [3, 4-B] quinoline was synthesized in good yield. Monoazo compounds were prepared using this intermediate as diazo component with various heterocyclic coupling components. All the azo compounds were characterized by their percentage yield, melting point, elemental analysis, UV-visible spectra, IR-spectra and dyeing performance on nylon and polyester fibres and by their antibacterial activity against gram positive and gram negative bacteria. (author)

  12. Preparation of deuterated heterocyclic five-membered ring compounds (furan, thiophene, pyrrole, and derivatives) by base-catalyzed hydrogen isotope exchange with deuterium oxide

    International Nuclear Information System (INIS)

    Heinrich, K.H.; Herrmann, M.; Moebius, G.; Sprinz, H.

    1984-01-01

    Several deuterated heterocyclic compounds of the type of furan,thiophene and pyrrole were prepared by base-catalyzed proton exchange with deuterium oxide at temperatures above 423 K in a closed system. The determination of deuterium and its distribution within the molecules was carried out by mass spectrometry and 1 H nmr spectrometry. (author)

  13. Initiation of explosive conversions in energy-saturated nanoporous silicon-based compounds with fast semiconductor switches and energy-releasing elements

    Science.gov (United States)

    Savenkov, G. G.; Kardo-Sysoev, A. F.; Zegrya, A. G.; Os'kin, I. A.; Bragin, V. A.; Zegrya, G. G.

    2017-10-01

    The first findings concerning the initiation of explosive conversions in energy-saturated nanoporous silicon-based compounds via the electrical explosion of a semiconductor bridge are presented. The obtained results indicate that the energy parameters of an explosive conversion depend on the mass of a combustible agent—namely, nanoporous silicon—and the silicon-doping type.

  14. Multiple testing issues in discriminating compound-related peaks and chromatograms from high frequency noise, spikes and solvent-based nois in LC-MS data sets

    NARCIS (Netherlands)

    Nyangoma, S.O.; Van Kampen, A.A.; Reijmers, T.H.; Govorukhina, N.I; van der Zee, A.G.; Billingham, I.J; Bischoff, Rainer; Jansen, R.C.

    2007-01-01

    Multiple testing issues in discriminating compound-related peaks and chromatograms from high frequency noise, spikes and solvent-based noise in LC-MS data sets.Nyangoma SO, van Kampen AA, Reijmers TH, Govorukhina NI, van der Zee AG, Billingham LJ, Bischoff R, Jansen RC. University of Birmingham.

  15. Spin-canting magnetization in an unusual Co4 cluster-based layer compound from a 2,3-dihydroxyquinoxaline ligand.

    Science.gov (United States)

    Yang, Chen-I; Chuang, Po-Hsiang; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh

    2012-01-16

    The self-assembly of Co(O(2)CPh)(2) with a 2,3-dihydroxyquinoxaline (H(2)dhq) linker has revealed a new two-dimensional cluster-based compound, [Co(4)(OMe)(2)(O(2)CPh)(2)(dhq)(2)(MeOH)(2)](n), which shows spin-canted magnetization and a definite magnetic hysteresis loop.

  16. Photoreceptor spectral sensitivity of the compound eyes of black soldier fly (Hermetia illucens) informing the design of LED-based illumination to enhance indoor reproduction

    NARCIS (Netherlands)

    Oonincx, D.G.A.B.; Volk, N.; Diehl, J.J.E.; Loon, van J.J.A.; Belušič, G.

    2016-01-01

    Mating in the black soldier fly (BSF) is a visually mediated behaviour that under natural conditions occurs in full sunlight. Artificial light conditions promoting mating by BSF were designed based on the spectral characteristics of the compound eye retina. Electrophysiological measurements

  17. Overview of Marfan Syndrome: knowns and unknowns

    Directory of Open Access Journals (Sweden)

    Pratiek N Matkar

    2015-12-01

    Full Text Available Marfan syndrome (MFS is a relatively rare disease of the connective tissue that affects several organs of the body. Cardiovascular abnormalities such as aortic root dilatation and mitral valve prolapse are the two main life-threatening complications associated with MFS. The complete pathogenesis of MFS is yet unclear. However, fibrillin-1 (FBN1 gene mutations and mutations in the transforming growth factor-β (TGFβ signaling pathway are the leading causes of this lethal disease. Detailed assessment based on several major and minor clinical manifestations has led to the evolution of different nosologies for MFS diagnoses with reliable accuracies. Nevertheless, heterogeneous disease advancement and overlapping clinical outcomes make MFS diagnosis challenging. Rapid strides in research and surgical avenues over the last two decades have improved the life expectancy and the quality of life of MFS patients remarkably. More specific diagnostic criteria have been established, novel therapeutic targets for pharmacotherapy have been identified and validated, and newer surgical techniques have been tested. Current research efforts are focusing on the identification of prognostic biomarkers, gene modifiers, drug targets, and surgical procedures. This review aims to provide a brief overview of these aspects associated with MFS.

  18. Obstacle Avoidance for Unmanned Undersea Vehicle in Unknown Unstructured Environment

    Directory of Open Access Journals (Sweden)

    Zheping Yan

    2013-01-01

    Full Text Available To avoid obstacle in the unknown environment for unmanned undersea vehicle (UUV, an obstacle avoiding system based on improved vector field histogram (VFH is designed. Forward looking sonar is used to detect the environment, and the divisional sonar modal is applied to deal with the measure uncertainty. To adapt to the VFH, rolling occupancy grids are used for the map building, and high accuracy details of local environment are obtained. The threshold is adaptively adjusted by the statistic of obstacles to solve the problem that VFH is sensitive to threshold. To improve the environment adaptability, the hybrid-behaviors strategy is proposed, which selects the optimal avoidance command according to the motion status and environment character. The simulation shows that UUV could avoid the obstacles fast and escape from the U shape obstacles.

  19. Mobile robot navigation in unknown static environments using ANFIS controller

    Directory of Open Access Journals (Sweden)

    Anish Pandey

    2016-09-01

    Full Text Available Navigation and obstacle avoidance are the most important task for any mobile robots. This article presents the Adaptive Neuro-Fuzzy Inference System (ANFIS controller for mobile robot navigation and obstacle avoidance in the unknown static environments. The different sensors such as ultrasonic range finder sensor and sharp infrared range sensor are used to detect the forward obstacles in the environments. The inputs of the ANFIS controller are obstacle distances obtained from the sensors, and the controller output is a robot steering angle. The primary objective of the present work is to use ANFIS controller to guide the mobile robot in the given environments. Computer simulations are conducted through MATLAB software and implemented in real time by using C/C++ language running Arduino microcontroller based mobile robot. Moreover, the successful experimental results on the actual mobile robot demonstrate the effectiveness and efficiency of the proposed controller.

  20. Autonomous Underwater Navigation and Optical Mapping in Unknown Natural Environments

    Directory of Open Access Journals (Sweden)

    Juan David Hernández

    2016-07-01

    Full Text Available We present an approach for navigating in unknown environments while, simultaneously, gathering information for inspecting underwater structures using an autonomous underwater vehicle (AUV. To accomplish this, we first use our pipeline for mapping and planning collision-free paths online, which endows an AUV with the capability to autonomously acquire optical data in close proximity. With that information, we then propose a reconstruction pipeline to create a photo-realistic textured 3D model of the inspected area. These 3D models are also of particular interest to other fields of study in marine sciences, since they can serve as base maps for environmental monitoring, thus allowing change detection of biological communities and their environment over time. Finally, we evaluate our approach using the Sparus II, a torpedo-shaped AUV, conducting inspection missions in a challenging, real-world and natural scenario.