Over-expression of Gene FaASR Promotes Strawberry Fruit Coloring

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Liu Zhongjie

2015-11-01

Full Text Available Fruit development and ripening is a complicate process. Although much progress has been made on the ripenig process, the molecular mechamism of fruit development is not yet clear. In this study, we used ‘Sweet Charlie’ strawberry as test materials, based on cloning the strawberries ASR homologous gene, we carried out the bioinformatics and temporal expression analysis of FaASR, by manipulating ASR gene expression level in strawberry fruit, we tested the changes of physiological indicators, including sugar, ABA, pigments content, and fruit firmness, as well as phenotypic changes. In addition, we measured the expression changes of some anthocyanin-related gene, such as CHS and UFGT, by which we revealed the regulation mechanisms of ASR gene over strawberry fruit ripening. Strawberry ASR contained a typical domain of ABA/WDS that was related to fruit ripening and stress-resistance, and ASR gene over-expression could promote strawberry fruit coloring, endogenous ABA and sucrose accumulation, fruit softening, and induced the transcription levels of anthocyanin-related genes CHS and UFGT. The present study will further reveal the molecular mechanisms of information transmission in fruit development, and will also play an important foundation for future molecular improvement of strawberries breeding.

Characterization of the Rheological and Swelling Properties of Synthetic Alkali Silicate Gels in Order to Predict Their Behavior in ASR Damaged Concrete

Science.gov (United States)

Vayghan, Asghar Gholizadeh

Alkali-silica reaction (ASR) is a major concrete durability concern that is responsible for the deterioration of concrete infrastructure in the world. The resultant of the reaction between the cement alkali hydroxides and the metastable silicates in the aggregates is a hygroscopic and expansive alkali-silicate gel (referred to as ASR gel in this document). The swelling behavior of ASR gels determines the extent of damage to concrete structures and, as such, mitigation of ASR relies on understanding these gels and finding ways to prevent them either from formation, or from swelling after formation. This dissertation focuses on the synthesis and characterization of ASR gels with wide ranges of compositions similar to what has been reported for the filed ASR gels in the literature. The experimental work consisted of three phases as follow. Phase I: Investigation of rheology, chemistry and physics of ASR gels produced through sol-method. Inspired from the existing literature, two sol-gel methods have been developed for the synthesis of ASR gels. The rheological (primarily gelation time, yield stress, and equilibrium stress), chemical (pore solution pH, pore solution composition, osmotic pressure, solid phase composition, stoichiometry of gelation reactions) and physical (evaporable water, solid content, etc.) properties of synthetic ASR gels have been extensively investigated in this phase. Ca/Si, Na/Si and K/Si, and water content were considered as the main chemical composition variables. In order to investigate the suppressing effects of lithium on the swelling properties of ASR gels, the gels were added with lithium in a part of the experimental program. The results strongly suggested that Ca/Si has a positive effect on the yield stress of the gels and their rate of gelation. Na/Si was found to have a decreasing effect on the yield stress and gelation rate (especially at low Ca/Si levels). K/Si and Li/Si had second-order (i.e., polynomial) effects on the yield

ASRS application in radioactive material handling

International Nuclear Information System (INIS)

Shalina Sheik Muhamad and Rosli Darmawan

2007-01-01

ASRS is a computer controlled methods for automatically depositing and retrieving loads from defined storage locations. It consists of several major components which are the Controls System, Storage Structure (Racks), Storage/Retrieval (S/R) Machines, Fire Protection Systems, Pickup and Delivery (P and D) Stations, Storage Modules (Pallets, Baskets, Containers), Aisle Hardware, Aisle Transfer Cars, Conveyors and other transportation equipment. This paper aims to provide an overview of the potential application of the ASRS in Nuclear Malaysia. The need to use the system, operating principle and potential application will be discussed. (Author)

Experimental collaboration for thick concrete structures with alkali-silica reaction

Science.gov (United States)

Ezell, N. Dianne Bull; Hayes, Nolan; Lenarduzzi, Roberto; Clayton, Dwight; Ma, Z. John; Le Pape, Sihem; Le Pape, Yann

2018-04-01

Alkali-Silica Reaction (ASR) is a reaction that occurs over time in concrete between alkaline cement paste and reactive, non-crystalline silica in aggregates. An expansive gel is formed within the aggregates which results in micro-cracks in aggregates and adjacent cement paste. The reaction requires the presence of water and has been predominantly detected in groundwater-impacted portions of below grade structures, with limited impact to exterior surfaces in above grade structures. ASR can potentially affect concrete properties and performance characteristics such as compressive strength, modulus of elasticity, shear strength, and tensile strength. Since ASR degradation often takes significant amounts of time, developing ASR detection techniques is important to the sustainability and extended operation lifetimes of nuclear power plants (NPPs). The University of Tennessee, Knoxville (UTK) in collaboration with Oak Ridge National Laboratory (ORNL) designed and built an experiment representative of typical NPP structures to study ASR in thick concrete structures.

ASR performance analysis of an experimental call routing system

CSIR Research Space (South Africa)

Modipa, T

2009-11-01

Full Text Available Call routing is an important application of Automatic Speech Recognition (ASR) technology. In this paper the authors discuss the main issues affecting the performance of a call routing system and describe the ASR component of the "Auto...

The effect of alkali-aggregate reaction on concrete bridge structures

Directory of Open Access Journals (Sweden)

Grković Slobodan

2016-01-01

Full Text Available This paper shows contemporary issues related to unfavorable effects of concrete alkali-aggregate reaction (AAR on concrete bridge structures (CBS. Although AAR unfavorable effects on CBS were identified in 1930s, it was much later that AAR was acknowledged as one of the most pronounced deterioration processes in concrete that results in damages to concrete structures. There are two basic forms of AAR: alkali-silica reaction (ASR and alkali-carbonate reaction (ACR. Compared to ACR, ASR is more prominent, especially in certain geographic parts of the world. Damages to concrete caused by the ASR have negative effect primarily on usability and durability of CBS, what is followed by the decrease in load bearing capacity of structural components and reliability of the whole structure, shortening of service life (SL and costly repairs. For CBS, simultaneous occurrence of ASR and other degradation processes in concrete, such as those caused by the presence of moisture, water, temperature variations and use of deicing salt during winter, are especially damaging. Based on review of the most relevant literature, this paper is focused on mechanisms and mechanisms factors of the ASR, related contemporary research and reliability design guidelines for CBS that are based on prevention of the initiation and development of ASR.

Electrochemical lithium migration to mitigate alkali-silica reaction in existing concrete structures

NARCIS (Netherlands)

Silva De Souza, L.M.

2016-01-01

Alkali-silica reaction (ASR) is a deterioration process that affects the durability of concrete structures worldwide. During the reaction, hydroxyl and alkali ions present in the pore solution react with reactive silica from the aggregate, forming a hygroscopic ASR gel. Alternatively, the silica

Concrete alkali-silica reaction and nuclear radiation damage

International Nuclear Information System (INIS)

Ichikawa, Tsuneki

2008-01-01

The deterioration of concrete by alkali-silica reaction of aggregates (ASR) and the effect of nuclear radiations on the ASR have been reviewed based on our studies on the mechanism of ASR and the effect of nuclear radiations on the resistivity of minerals to alkaline solution. It has been found that the ASR is initiated by the attack of alkaline solution in concrete to silicious aggregates to convert them into hydrated alkali silicate. The consumption of alkali hydroxide by the aggregates induces the dissolution of Ca 2+ ions into the solution. The alkali silicate surrounding the aggregates then reacts with Ca 2+ ions to convert to insoluble tight and rigid reaction rims. The reaction rim allows the penetration of alkaline solution but prevents the leakage of viscous alkali silicate, so that alkali silicate generated afterward is accumulated in the aggregate to give an expansive pressure enough for cracking the aggregate and the surrounding concrete. The effect of nuclear radiation on the reactivity of quartz and plagioclase, a part of major minerals composing volcanic rocks as popular aggregates, to alkaline solution has been examined for clarifying whether nuclear radiations accelerates the ASR. It has been found that the irradiation of these minerals converts them into alkali-reactive amorphous ones. The radiation dose for plagioclase is as low as 10 8 Gy, which suggests that the ASR of concrete surrounding nuclear reactors is possible to be accelerated by nuclear radiation. (author)

Early micromovement of the Articular Surface Replacement (ASR) femoral component

DEFF Research Database (Denmark)

Penny, J O; Ding, M; Varmarken, J E

2012-01-01

Radiostereometric analysis (RSA) can detect early micromovement in unstable implant designs which are likely subsequently to have a high failure rate. In 2010, the Articular Surface Replacement (ASR) was withdrawn because of a high failure rate. In 19 ASR femoral components, the mean micromovement...

Shear Capacity of Large-Scale RC Beams Affected by ASR

DEFF Research Database (Denmark)

Gustenhoff Hansen, Søren; Barbosa, Ricardo Antonio; Hoang, Linh Cao

2016-01-01

This paper deals with the influence of alkali-silica reaction (ASR) on the shear capacity for concrete slabs without shear reinforcement. An experimental full-scale in-situ program consisting of four slabs from a bridge (Vosnæsvej) has been carried out and the results have been published in ref. [1......) and Eurocode 2 (EN 1992-1-1). The analysis shows that three experiments were highly affected by the preparation of the experimental setup. Only one experiment contained useful information about the shear capacity. The analysis of this experiment shows that the shear capacity is not reduced as much...

Significance of Alkali-Silica reaction in nuclear safety-related concrete structures

International Nuclear Information System (INIS)

Le Pape, Y.; Field, K.G.; Mattus, C.H.; Naus, D.J.; Busby, J.T.; Saouma, V.; Ma, Z.J.; Cabage, J.V.; Guimaraes, M.

2015-01-01

Nuclear Power Plant license renewal up to 60 years and possible life extension beyond has established a renewed focus on long-term aging of nuclear generating stations materials, and particularly, on concrete. Large irreplaceable sections of most nuclear generating stations include concrete components. The Expanded Materials Degradation Analysis, jointly performed by the Department of Energy, the U.S. Nuclear Regulatory Commission, the Academia and the Power Generation Industry, identified the need to develop a consistent knowledge base of alkali-silica reaction (ASR) within concrete as an urgent priority (Graves et al., 2014). ASR results in an expansion of Concrete produced by the reaction between alkali (generally from cement), reactive aggregate (like amorphous silica) and water absorption. ASR causes expansion, cracking and loss of mechanical properties. Considering that US commercial reactors in operation enter the age when ASR distress can be potentially observed and that numerous non-nuclear infrastructures (transportation, energy production) in a majority of the States have already experienced ASR-related concrete degradation, the susceptibility and significance of ASR for nuclear concrete structures must be addressed. This paper outlines an on-going research program including the investigation of the possibility of ASR in nuclear power plants, and the assessment of the residual shear bearing capacity of ASR-subjected nuclear structures. (authors)

The ASRS-6 has two latent factors: attention deficit and hyper-activity

DEFF Research Database (Denmark)

Hesse, Morten

2013-01-01

Objective: To test whether the Adult Self-Report Scale for ADHD, 6-items version (ASRS-6), measures inattentiveness and hyperactivity independently. Methods: The ASRS-6 was completed by 234 university students and 157 outpatients treated for drug dependence. In both samples, the ASRS-6 was subjec......Objective: To test whether the Adult Self-Report Scale for ADHD, 6-items version (ASRS-6), measures inattentiveness and hyperactivity independently. Methods: The ASRS-6 was completed by 234 university students and 157 outpatients treated for drug dependence. In both samples, the ASRS-6...... was subjected to two confirmatory factor analyses, one testing a one-factor model, and one testing a model with two correlated factors indicating inattentiveness and hyperactivity respectively. Test-retest reliability of the subscales was tested on a subset of the student sample (n=25). Results: In both samples......, a one-factor solution did not fit the data, but the two-factor solution fit the data better. Sub-scales differed in their correlates in ways that mirror the correlates of inattentiveness and hyperactivity in the published literature on ADHD. In the student sample, the test-retest reliability...

Effect of Alkali-Silica Reaction on Shear Strength of Reinforced Concrete Structural Members

Energy Technology Data Exchange (ETDEWEB)

Hariri-Ardebili, Mohammad [Univ. of Colorado, Boulder, CO (United States); Saouma, Victor [Univ. of Colorado, Boulder, CO (United States); Le Pape, Yann [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2015-10-01

Alkali-silica reaction (ASR) was discovered in the early 40s by Stanton (1940) of the California Division of Highways. Since, it has been recognized as a major degradation mechanism for concrete dams and transportation infrastructures. Sometimes described as the ’cancer of concrete’, this internal swelling mechanism causes expansion, cracking and loss of mechanical properties. There are no known economically viable solutions applicable to massive concrete to prevent the reaction once initiated. The e ciency of the mitigation strategies for ASR subjected structures is limited. Several cases of ASR in nuclear generating stations have been disclosed in Japan (Takatura et al. 2005), Canada at Gentilly 2 NPP (Tcherner and Aziz 2009) 1, and more recently, in the United States for which the U.S. Nuclear Regulatory Commission issued Information Notice (IN) 2011-20, ’Concrete Degradation by Alkali Silica Reaction,’ on November 18, 2011, to provide the industry with information related to the ASR identified at Seabrook. Considering that US commercial reactors in operation enter the age when ASR degradation can be visually detected and that numerous non nuclear infrastructures (transportation, energy production) have already experienced ASR in a large majority of the States (e.g., Department of Transportation survey reported by Touma (Touma 2000)), the susceptibility and significance of ASR for nuclear concrete structures must be addressed in the perspective of license renewal and long-term operation beyond 60 years. The aim of this report is to perform an extensive parametric series of 3D nonlinear finite element analyses of three di erent “beam-like” geometries, including two di erent depths, three di erent types of boundary conditions, and four other parameters: namely, the ASR volumetric expansion, the reinforcement ratio, the loss of elastic modulus induced by ASR and the loss of tensile strength caused by ASR.

The Usefulness of Automatic Speech Recognition (ASR Eyespeak Software in Improving Iraqi EFL Students’ Pronunciation

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Lina Fathi Sidig Sidgi

2017-02-01

Full Text Available The present study focuses on determining whether automatic speech recognition (ASR technology is reliable for improving English pronunciation to Iraqi EFL students. Non-native learners of English are generally concerned about improving their pronunciation skills, and Iraqi students face difficulties in pronouncing English sounds that are not found in their native language (Arabic. This study is concerned with ASR and its effectiveness in overcoming this difficulty. The data were obtained from twenty participants randomly selected from first-year college students at Al-Turath University College from the Department of English in Baghdad-Iraq. The students had participated in a two month pronunciation instruction course using ASR Eyespeak software. At the end of the pronunciation instruction course using ASR Eyespeak software, the students completed a questionnaire to get their opinions about the usefulness of the ASR Eyespeak in improving their pronunciation. The findings of the study revealed that the students found ASR Eyespeak software very useful in improving their pronunciation and helping them realise their pronunciation mistakes. They also reported that learning pronunciation with ASR Eyespeak enjoyable.

Cross-bandwidth adaptation for ASR systems

CSIR Research Space (South Africa)

Kleynhans, N

2013-12-01

Full Text Available not be feasible for resource-scarce environments. Utilising limited amounts of in-domain data and a combination of feature normalisation and acoustic model adaptation techniques has therefore found wide use in ASR systems. Various approaches have been proposed...

Automated Detection of Alkali-silica Reaction in Concrete using Linear Array Ultrasound Data

Energy Technology Data Exchange (ETDEWEB)

Santos-Villalobos, Hector J [ORNL; Clayton, Dwight A [ORNL; Ezell, N Dianne Bull [ORNL; Clayton, Joseph A [ORNL; Baba, Justin S [ORNL

2017-01-01

Alkali-silica reaction (ASR) is a chemical reaction in either concrete or mortar between hydroxyl ions of the alkalis (sodium and potassium) from hydraulic cement (or other sources), and certain siliceous minerals present in some aggregates. The reaction product, an alkali-silica gel, is hygroscopic having a tendency to absorb water and swell, which under certain circumstances, leads to abnormal expansion and cracking of the concrete. This phenomenon affects the durability and performance of concrete structures severely since it can cause significant loss of mechanical properties. Developing reliable methods and tools that can evaluate the degree of the ASR damage in existing structures, so that informed decisions can be made toward mitigating ASR progression and damage, is important to the long term operation of nuclear power plants especially if licenses are extended beyond 60 years. This paper examines an automated method of determining the extent of ASR damage in fabricated concrete specimens.

Effects of externally supplied lithium on the suppression of ASR expansion in mortars

International Nuclear Information System (INIS)

Kawamura, Mitsunori; Kodera, Takeshi

2005-01-01

Lithium salts are being externally supplied for mitigating the progress of deterioration of ASR-affected concrete structures. However, it is not clear whether the sodium or potassium in the ASR gel in concrete is replaced by the lithium supplied from the outside. In this article, we examine changes in the composition of the ASR gel, previously formed in mortar specimens, after they are immersed in LiOH solution, using backscattered electron (BSE) imaging and energy-dispersive X-ray (EDX) analysis, associated with length change measurement of the mortar prisms. The intrusion of lithium ions into mortar specimens containing a reactive aggregate could arrest their further expansion within a relatively short time after immersion in 0.50 N LiOH solution. The alkali ions incorporated in most ASR gels, located not far away from interfaces between the cement paste and reactive aggregate particles, appear to be replaced by the lithium ions supplied from the solution. However, the ASR gel within the reacted aggregate particles did not appear to have been affected by the lithium ions

Automatic speech recognition (ASR) based approach for speech therapy of aphasic patients: A review

Science.gov (United States)

Jamal, Norezmi; Shanta, Shahnoor; Mahmud, Farhanahani; Sha'abani, MNAH

2017-09-01

This paper reviews the state-of-the-art an automatic speech recognition (ASR) based approach for speech therapy of aphasic patients. Aphasia is a condition in which the affected person suffers from speech and language disorder resulting from a stroke or brain injury. Since there is a growing body of evidence indicating the possibility of improving the symptoms at an early stage, ASR based solutions are increasingly being researched for speech and language therapy. ASR is a technology that transfers human speech into transcript text by matching with the system's library. This is particularly useful in speech rehabilitation therapies as they provide accurate, real-time evaluation for speech input from an individual with speech disorder. ASR based approaches for speech therapy recognize the speech input from the aphasic patient and provide real-time feedback response to their mistakes. However, the accuracy of ASR is dependent on many factors such as, phoneme recognition, speech continuity, speaker and environmental differences as well as our depth of knowledge on human language understanding. Hence, the review examines recent development of ASR technologies and its performance for individuals with speech and language disorders.

Detecting alkali-silica reaction in thick concrete structures using linear array ultrasound

Science.gov (United States)

Bull Ezell, N. Dianne; Albright, Austin; Clayton, Dwight; Santos-Villalobos, Hector

2018-03-01

Commercial nuclear power plants (NPPs) depend heavily on concrete structures, making the long-term performance of these structures crucial for safe operation, especially with license period extensions to 60 years and possibly beyond. Alkali-silica reaction (ASR) is a reaction that occurs over time in concrete between alkaline cement paste and reactive, noncrystalline silica (aggregates). In the presence of water, an expansive gel is formed within the aggregates, which results in microcracks in aggregates and adjacent cement paste. ASR can potentially affect concrete properties and performance characteristics such as compressive strength, modulus of elasticity, flexural stiffness, shear strength, and tensile strength. Currently, no nondestructive evaluation methods have proven effective in identifying ASR before surface cracks form. ASR is identified visibly or by petrographic analysis. Although ASR definitely impacts concrete material properties, the performance of concrete structures exhibiting ASR depends on whether or not the concrete is unconfined or confined with reinforcing bars. Confinement by reinforcing bars restrainsthe expansion of ASR-affected concrete, similar to prestressing, thus improving the performance of a structure. Additionally, there is no direct correlation between the mechanical properties of concrete sample cores and the in-situ properties of the concrete. The University of Tennessee-Knoxville, Oak Ridge National Laboratory, and a consortium of universities have developed an accelerated ASR experiment. Three large concrete specimens, representative of NPP infrastructure, were constructed containing both embedded and surface instruments. This paper presents preliminary analysis of these specimens using a frequency-banded synthetic aperture focusing technique.

Effect of alkali–silica reaction on the shear strength of reinforced concrete structural members. A numerical and statistical study

Energy Technology Data Exchange (ETDEWEB)

Saouma, Victor E.; Hariri-Ardebili, Mohammad Amin [Department of Civil Engineering, University of Colorado, Boulder, CO 80305 (United States); Le Pape, Yann, E-mail: lepapeym@ornl.gov [Oak Ridge National Laboratory, One Bethel Valley Road, Oak Ridge, TN 37831 (United States); Balaji, Rajagopalan [Department of Civil Engineering, University of Colorado, Boulder, CO 80305 (United States)

2016-12-15

Highlights: • Alkali–silica reaction (ASR) affects reinforced structures shear strength. • Statistical analysis indicates large scattering of post-ASR strength losses/gains. • Competitive structural and materials mechanisms affect the residual shear strength. - Abstract: The residual structural shear resistance of concrete members without shear reinforcement and subject to alkali–aggregate reaction (ASR) is investigated by finite element analysis. A parametric numerical study of 648 analyses considering various structural members’ geometries, boundary conditions, ASR-induced losses of materials properties, ASR expansions and reinforcement ratios is conducted. As a result of competitive mechanisms (e.g., ASR-induced prestressing caused by the longitudinal reinforcement) and loss of concrete materials properties, important scatter in terms of gain or loss of shear strength is observed: about 50% of the studied configurations lead to a degradation of structural performance. The range of variation in terms of post-ASR shear resistance is extremely scattered, in particular, when ASR results in out-of-plane expansion only. Influencing factors are derived by two methods: (i) visual inspection of boxplots and probability distributions, and (ii) information criteria within multiple-linear regression analysis.

Hydrometallurgical recovery of heavy metals from low grade automobile shredder residue (ASR): An application of advanced Fenton process (AFP).

Science.gov (United States)

Singh, Jiwan; Lee, Byeong-Kyu

2015-09-15

To investigate the leaching and recovery of heavy metals from low-grade automobile shredder residue (ASR), the effects of nitric acid (HNO3) and hydrogen peroxide (H2O2) concentrations, liquid/solid (L/S) ratio, leaching temperature and ASR particle size fractions on the heavy metal leaching rate were determined. The heavy metals were recovered by fractional precipitation and advanced Fenton process (AFP) at different pHs. The toxicity characteristic leaching procedure (TCLP) test was also performed in the residue remaining after heavy metal leaching to evaluate the potential toxicity of ASR. The heavy metal leaching efficiency was increased with increasing HNO3 and H2O2 concentrations, L/S ratio and temperature. The heavy metal leaching efficiencies were maximized in the lowest ASR size fraction at 303 K and L/S ratio of 100 mL/g. The kinetic study showed that the metal leaching was best represented by a second-order reaction model, with a value of R(2) > 0.99 for all selected heavy metals. The determined activation energy (kJ/mol) was 21.61, 17.10, 12.15, 34.50, 13.07 and 11.45 for Zn, Fe, Ni, Pb, Cd and Cr, respectively. In the final residue, the concentrations of Cd, Cr and Pb were under their threshold limits in all ASR size fractions. Hydrometallurgical metal recovery was greatly increased by AFP up to 99.96% for Zn, 99.97% for Fe, 95.62% for Ni, 99.62% for Pb, 94.11% for Cd and 96.79% for Cr. AFP is highly recommended for the recovery of leached metals from solution even at low concentrations. Copyright © 2015 Elsevier Ltd. All rights reserved.

SiASR4, the Target Gene of SiARDP from Setaria italica, Improves Abiotic Stress Adaption in Plants.

Science.gov (United States)

Li, Jianrui; Dong, Yang; Li, Cong; Pan, Yanlin; Yu, Jingjuan

2016-01-01

Drought and other types of abiotic stresses negatively affect plant growth and crop yields. The abscisic acid-, stress-, and ripening-induced (ASR) proteins play important roles in the protection of plants against abiotic stress. However, the regulatory pathway of the gene encoding this protein remains to be elucidated. In this study, the foxtail millet ( Setaria italica ) ASR gene, SiASR4 , was cloned and characterized. SiASR4 localized to the cell nucleus, cytoplasm and cytomembrane, and the protein contained 102 amino acids, including an ABA/WDS (abscisic acid/water-deficit stress) domain, with a molecular mass of 11.5 kDa. The abundance of SiASR4 transcripts increased after treatment with ABA, NaCl, and PEG in foxtail millet seedlings. It has been reported that the S. italica ABA-responsive DRE-binding protein (SiARDP) binds to a DNA sequence with a CCGAC core and that there are five dehydration-responsive element (DRE) motifs within the SiASR4 promoter. Our analyses demonstrated that the SiARDP protein could bind to the SiASR4 promoter in vitro and in vivo . The expression of SiASR4 increased in SiARDP -overexpressing plants. SiASR4 -transgenic Arabidopsis and SiASR4 -overexpressing foxtail millet exhibited enhanced tolerance to drought and salt stress. Furthermore, the transcription of stress-responsive and reactive oxygen species (ROS) scavenger-associated genes was activated in SiASR4 transgenic plants. Together, these findings show that SiASR4 functions in the adaption to drought and salt stress and is regulated by SiARDP via an ABA-dependent pathway.

Prestressing of reinforcing bars in concrete slabs due to concrete expansion induced by Alkali-Silica Reaction

DEFF Research Database (Denmark)

Gustenhoff Hansen, Søren; Antonio Barbosa, Ricardo; Hoang, Linh Cao

2017-01-01

Alkali-silica reactions (ASR) in concrete bridges have been a major concern worldwide for many decades. In Denmark, several bridges are severely damaged due to ASR and over 600 bridges have the potential to develop ASR in the future. The majority of these bridges are slab-bridges. Despite the many...... cases, experimental research on structural safety and residual load carrying capacity of ASR-damaged bridges is limited. As ASR causes severe cracks in the concrete, which may affect the concrete compressive and tensile strength, concerns have been directed towards the residual shear capacity. Yet...

Aquifer Storage Recovery (ASR) of chlorinated municipal drinking water in a confined aquifer

Science.gov (United States)

Izbicki, John A.; Petersen, Christen E.; Glotzbach, Kenneth J.; Metzger, Loren F.; Christensen, Allen H.; Smith, Gregory A.; O'Leary, David R.; Fram, Miranda S.; Joseph, Trevor; Shannon, Heather

2010-01-01

About 1.02 x 106 m3 of chlorinated municipal drinking water was injected into a confined aquifer, 94-137 m below Roseville, California, between December 2005 and April 2006. The water was stored in the aquifer for 438 days, and 2.64 x 106 m3 of water were extracted between July 2007 and February 2008. On the basis of Cl data, 35% of the injected water was recovered and 65% of the injected water and associated disinfection by-products (DBPs) remained in the aquifer at the end of extraction. About 46.3 kg of total trihalomethanes (TTHM) entered the aquifer with the injected water and 37.6 kg of TTHM were extracted. As much as 44 kg of TTHMs remained in the aquifer at the end of extraction because of incomplete recovery of injected water and formation of THMs within the aquifer by reactions with freechlorine in the injected water. Well-bore velocity log data collected from the Aquifer Storage Recovery (ASR) well show as much as 60% of the injected water entered the aquifer through a 9 m thick, high-permeability layer within the confined aquifer near the top of the screened interval. Model simulations of ground-water flow near the ASR well indicate that (1) aquifer heterogeneity allowed injected water to move rapidly through the aquifer to nearby monitoring wells, (2) aquifer heterogeneity caused injected water to move further than expected assuming uniform aquifer properties, and (3) physical clogging of high-permeability layers is the probable cause for the observed change in the distribution of borehole flow. Aquifer heterogeneity also enhanced mixing of native anoxic ground water with oxic injected water, promoting removal of THMs primarily through sorption. A 3 to 4-fold reduction in TTHM concentrations was observed in the furthest monitoring well 427 m downgradient from the ASR well, and similar magnitude reductions were observed in depth-dependent water samples collected from the upper part of the screened interval in the ASR well near the end of the extraction

The Adult ADHD Self-Report Scale (ASRS: utility in college students with attention-deficit/hyperactivity disorder

Directory of Open Access Journals (Sweden)

Sarah Gray

2014-03-01

Full Text Available Background. The number of students with Attention Deficit/Hyperactivity Disorder (ADHD enrolled in colleges and universities has increased markedly over the past few decades, giving rise to questions about how best to document symptoms and impairment in the post-secondary setting. The aim of the present study was to investigate the utility and psychometric properties of a widely-used rating scale for adults with ADHD, the Adult ADHD Self-Report Scale (ASRS-V1.1, in a sample of post-secondary students with ADHD.Methods. A total of 135 college students (mean age = 24, 42% males with ADHD were recruited from Student Disability Services in post-secondary institutions. We compared informant responses on the ASRS administered via different modalities. First, students’ self-report was ascertained using the ASRS Screener administered via telephone interview, in which they were asked to provide real-life examples of behavior for each of the six items. Next, students self-reported symptoms on the 18-item paper version of the ASRS Symptom Checklist administered about 1–2 weeks later, and a collateral report using an online version of the 18-item ASRS Symptom Checklist. Students also completed self-report measures of everyday cognitive failure (CFQ and executive functioning (BDEFS.Results. Results revealed moderate to good congruency between the 18-item ASRS-Self and ASRS-Collateral reports (correlation = .47, and between student self-report on the 6-item telephone-based and paper versions of the ASRS, with the paper version administered two weeks later (correlation = .66. The full ASRS self-report was related to impairment, such as in executive functioning (correlation = .63 and everyday cognitive failure (correlation = .74. Executive functioning was the only significant predictor of ASRS total scores.Discussion. Current findings suggest that the ASRS provides an easy-to-use, reliable, and cost-effective approach for gathering information about current

Influence of alkali-silica reaction on the physical, mechanical, and structural behaviour of reinforced concrete

DEFF Research Database (Denmark)

Barbosa, Ricardo Antonio

Alkali-silica reaction (ASR) is one of the major concrete deterioration mechanisms in the world. Cracking in concrete structures due to ASR has been observed worldwide. In Denmark numerous concrete structures have been built with a critical amount of ASR-reactive aggregate, mostly as porous opaline...... and porous calcareous opaline flint in the fine aggregate fraction. During the last few decades, an increasing number of bridges in Denmark have been severely damaged due to ASR. In the most severe cases, the ASR-damaged bridges have been demolished and reconstructed due to uncertainty about their residual...... following features in common: (a) significant amount of ASR cracks were observed on and inside the slabs, (b) the ASR cracks were oriented parallel to the plane of the slabs, and (c) ASR occurred in the fine aggregate fraction. In this PhD study, both the compressive strength and tensile strength of drilled...

Isolation of a novel abscisic acid stress ripening (OsASR) gene from ...

African Journals Online (AJOL)

user

2012-09-13

Sep 13, 2012 ... ... booting stages, respectively, and a 8.30-fold increase in the panicle of .... ABA and sugar cross-talk: the ASR story. Trends Plant Sci. ... Goldgur Y, Rom S, Ghirlando R, Shkolnik D, Natalia S, Zvia K, Dudy. Bar-Zv (2007). ... functional validation of the Zm-Asr1 gene and increase of water use efficiency by ...

Estimating Aquifer Storage and Recovery (ASR Regional and Local Suitability: A Case Study in Washington State, USA

Directory of Open Access Journals (Sweden)

Maria T. Gibson

2018-01-01

Full Text Available Developing aquifers as underground water supply reservoirs is an advantageous approach applicable to meeting water management objectives. Aquifer storage and recovery (ASR is a direct injection and subsequent withdrawal technology that is used to increase water supply storage through injection wells. Due to site-specific hydrogeological quantification and evaluation to assess ASR suitability, limited methods have been developed to identify suitability on regional scales that are also applicable at local scales. This paper presents an ASR site scoring system developed to qualitatively assess regional and local suitability of ASR using 9 scored metrics to determine total percent of ASR suitability, partitioned into hydrogeologic properties, operational considerations, and regulatory influences. The development and application of a qualitative water well suitability method was used to assess the potential groundwater response to injection, estimate suitability based on predesignated injection rates, and provide cumulative approximation of statewide and local storage prospects. The two methods allowed for rapid assessment of ASR suitability and its applicability to regional and local water management objectives at over 280 locations within 62 watersheds in Washington, USA. It was determined that over 50% of locations evaluated are suitable for ASR and statewide injection potential equaled 6400 million liters per day. The results also indicate current limitations and/or potential benefits of developing ASR systems at the local level with the intent of assisting local water managers in strategic water supply planning.

Novel synthesis and applications of Thiomer solidification for heavy metals immobilization in hazardous ASR/ISW thermal residue.

Science.gov (United States)

Baek, Jin Woong; Mallampati, Srinivasa Reddy; Park, Hung Suck

2016-03-01

The present paper reports the novel synthesis and application of Thiomer solidification for heavy metal immobilization in hazardous automobile shredder residues and industrial solid waste (ASR/ISW) thermal residues. The word Thiomer is a combination of the prefix of a sulfur-containing compound "Thio" and the suffix of "Polymer" meaning a large molecule compound of many repeated subunits. To immobilize heavy metals, either ASR/ISW thermal residues (including bottom and fly ash) was mixed well with Thiomer and heated at 140°C. After Thiomer solidification, approximately 91-100% heavy metal immobilization was achieved. The morphology and mineral phases of the Thiomer-solidified ASR/ISW thermal residue were characterized by field emission-scanning electron microscopy, energy dispersive X-ray spectroscopy and X-ray diffraction (XRD), which indicated that the amounts of heavy metals detectable on the ASR/ISW thermal residue surface decreased and the sulfur mass percent increased. XRD indicated that the main fraction of the enclosed/bound materials on the ASR/ISW residue contained sulfur associated crystalline complexes. The Thiomer solidified process could convert the heavy metal compounds into highly insoluble metal sulfides and simultaneously encapsulate the ASR/ISW thermal residue. These results show that the proposed method can be applied to the immobilization of ASR/ISW hazardous ash involving heavy metals. Copyright © 2015 Elsevier Ltd. All rights reserved.

Validity and Reliability of Adult ADHD Self-Report Scale Thai Version (ASRS-V1.1 TH).

Science.gov (United States)

Kiatrungrit, Komsan; Putthisri, Suwannee; Hongsanguansri, Sirichai; Wisajan, Pattaraporn; Jullagate, Sudawan

2017-08-25

The adult ADHD Self-Report Scale Thai version (ASRS-V1.1) (18 items) is a questionnaire for screening adult ADHD. To test the validity and reliability of the 18-question ASRS-V1.1 Thai version (ASRS-V1.1 TH) as a screening tool for adult ADHD. The original 18-question ASRS-V1.1 version was translated into Thai. The process was composed of forward-translation, synthesis of the translation, and back translation. Cross cultural adaptation, field testing, and final adjustment were completed consecutively. The 18-question ASRS-V1.1 TH were sent to 1,500 parents of kindergarten and elementary school students in Bangkok, Thailand. The diagnostic interview was randomly selected for 50 parents from the positive result group and 50 parents from the negative result group. The clinical interview for confirming diagnosis was run by 3 psychiatrists who were blinded to the results and used DSM-5 ADHD criteria for diagnosis. The 18-question ASRS-V1.1 TH had satisfactory internal consistency (Cronbach's alpha = 0.92: Cronbach's alpha = 0.87 for inattentive scale, Cronbach's alpha = 0.84 for hyperactive / impulsive scale). For testing the criteria validity, the questionnaire has an adequate. The AUC from the first 6 questions was 0.80 (95% CI: 0.68-0.92) while from the 18 questions was 0.71(95% CI: 0.55-0.86). The 18-question ASRS-V1.1TH is a psychometrically reliable and valid measure for screening adult ADHD in Thai clinical samples, especially the first 6 questions of the questionnaire.

Study on lithium migration for electrochemical treatment of concrete affected by alkali-silica reaction

NARCIS (Netherlands)

Souza, L.M.S.; Copuroglu, O.; Polder, R.B.

2014-01-01

Alkali-silica reaction (ASR) is one of the major durability problems in concrete and affects many structures worldwide. Nevertheless, currently, there are no definite treatments to stop it once it has star ted. Lithium is known to have beneficial effects on ASR. Indeed, the use of lithium-based

Assesment of Severely ASR Damaged Bridges: From Diagnosis to Structural Effects

DEFF Research Database (Denmark)

Barbosa, Ricardo Antonio; Hansen, Søren Gustenhoff; Hansen, Kurt Kielsgaard

2016-01-01

documented. The majority of the experimental data are based on relatively small scale laboratory specimens accelerated by various exposure conditions. Research on assessment and influence of severely ASR deterioration on the material properties and residual load carrying capacity of real-life structures...... is unfortunately limited. This paper presents an overview and discussion of the Danish experiences with assessment of the residual load carrying capacity of severely non-shear reinforced ASR damaged bridges. The discussion is supported by experimental data acquired from large scale in-situ tests of three severely...

AsrR is an oxidative stress sensing regulator modulating Enterococcus faecium opportunistic traits, antimicrobial resistance, and pathogenicity.

Directory of Open Access Journals (Sweden)

François Lebreton

Full Text Available Oxidative stress serves as an important host/environmental signal that triggers a wide range of responses in microorganisms. Here, we identified an oxidative stress sensor and response regulator in the important multidrug-resistant nosocomial pathogen Enterococcus faecium belonging to the MarR family and called AsrR (antibiotic and stress response regulator. The AsrR regulator used cysteine oxidation to sense the hydrogen peroxide which results in its dissociation to promoter DNA. Transcriptome analysis showed that the AsrR regulon was composed of 181 genes, including representing functionally diverse groups involved in pathogenesis, antibiotic and antimicrobial peptide resistance, oxidative stress, and adaptive responses. Consistent with the upregulated expression of the pbp5 gene, encoding a low-affinity penicillin-binding protein, the asrR null mutant was found to be more resistant to β-lactam antibiotics. Deletion of asrR markedly decreased the bactericidal activity of ampicillin and vancomycin, which are both commonly used to treat infections due to enterococci, and also led to over-expression of two major adhesins, acm and ecbA, which resulted in enhanced in vitro adhesion to human intestinal cells. Additional pathogenic traits were also reinforced in the asrR null mutant including greater capacity than the parental strain to form biofilm in vitro and greater persistance in Galleria mellonella colonization and mouse systemic infection models. Despite overexpression of oxidative stress-response genes, deletion of asrR was associated with a decreased oxidative stress resistance in vitro, which correlated with a reduced resistance to phagocytic killing by murine macrophages. Interestingly, both strains showed similar amounts of intracellular reactive oxygen species. Finally, we observed a mutator phenotype and enhanced DNA transfer frequencies in the asrR deleted strain. These data indicate that AsrR plays a major role in antimicrobial

The burning of automotive shredder residue (ASR) using fluidized bed technology

Energy Technology Data Exchange (ETDEWEB)

Abelha, Pedro; Gulyurtlu, Ibrahim; Lopes, H.; Cabrita, I. [INETI/DEECA, Lisboa (Portugal)

2005-07-01

The objective of this work was to demonstrate the feasibility and the environmental performance of FBC technology to burn a fluff fraction of an ASR from a Portuguese vehicle dismantling plant. The combustion studies were carried out on the pilot installation at INETI. The results obtained suggest that the Portuguese ASR has a very high mineral content (70%) and the combustion had to be sustained with the use of an auxiliary fuel (propane); the combustion efficiency was very high; the gaseous pollutants could easily be controlled below the permitted limits and sulphur and chlorine emissions were low. ASR could give rise to fluidising problems due to the accumulation of ashes in the bed; therefore, it is essential that a more efficient metal separation method be used during dismantling process; there was an enrichment of heavy metals (Pb, Cu, Mn and Zn) on ashes retained in the cyclones, specially in the smaller particle size range (less than 10 m); however, the ashes did not have a tendency for leaching.

MULTI-LABEL ASRS DATASET CLASSIFICATION USING SEMI-SUPERVISED SUBSPACE CLUSTERING

Data.gov (United States)

National Aeronautics and Space Administration — MULTI-LABEL ASRS DATASET CLASSIFICATION USING SEMI-SUPERVISED SUBSPACE CLUSTERING MOHAMMAD SALIM AHMED, LATIFUR KHAN, NIKUNJ OZA, AND MANDAVA RAJESWARI Abstract....

Long-Term Vibration Monitoring of the Effects of Temperature and Humidity on PC Girders with and without Fly Ash considering ASR Deterioration

Directory of Open Access Journals (Sweden)

Tuan Minh Ha

2017-01-01

Full Text Available Structural responses have been used as inputs in the evaluation procedures of civil structures for years. Apart from the degradation of a structure itself, changes in the environmental conditions affect its characteristics. For adequate maintenance, it is necessary to quantify the environment-induced changes and discriminate them from the effects due to damage. This study investigates the variation in the vibration responses of prestressed concrete (PC girders, which were deteriorated because of the alkali–silica reaction (ASR, concerning ambient temperature and humidity. Three PC girders were exposed to outdoor weather conditions outside the laboratory, one of which had a selected amount of fly ash in its mixture to mitigate the ASR. The girders were periodically vibration tested for one and a half years. It was found that when the temperature and humidity increased, the frequencies and damping ratios decreased in proportion. No apparent variation in the mode shapes could be identified. A finite element model was proposed for numerical verification, the results of which were in good agreement with the measured changes in the natural frequencies. Moreover, the different dynamic performances of the three specimens indicated that the fly ash significantly affected the vibrations of the PC girders under ASR deterioration.

Dimerization and DNA-binding of ASR1, a small hydrophilic protein abundant in plant tissues suffering from water loss

International Nuclear Information System (INIS)

Maskin, Laura; Frankel, Nicolas; Gudesblat, Gustavo; Demergasso, Maria J.; Pietrasanta, Lia I.; Iusem, Norberto D.

2007-01-01

The Asr gene family is present in Spermatophyta. Its members are generally activated under water stress. We present evidence that tomato ASR1, one of the proteins of the family, accumulates in seed during late stages of embryogenesis, a physiological process characterized by water loss. In vitro, electrophoretic assays show a homo-dimeric structure for ASR1 and highlight strong non-covalent interactions between monomers prone to self-assemble. Direct visualization of single molecules by atomic force microscopy (AFM) confirms that ASR1 forms homodimers and that uncovers both monomers and dimers bind double stranded DNA

A coupled mechanical and chemical damage model for concrete affected by alkali–silica reaction

Energy Technology Data Exchange (ETDEWEB)

Pignatelli, Rossella, E-mail: rossellapignatelli@gmail.com [Department of Civil and Environmental Engineering, Politecnico di Milano, Piazza L. da Vinci 32, 20133 Milano (Italy); Lombardi Ingegneria S.r.l., Via Giotto 36, 20145 Milano (Italy); Comi, Claudia, E-mail: comi@stru.polimi.it [Department of Civil and Environmental Engineering, Politecnico di Milano, Piazza L. da Vinci 32, 20133 Milano (Italy); Monteiro, Paulo J.M., E-mail: monteiro@ce.berkeley.edu [Department of Civil and Environmental Engineering, University of California, Berkeley, CA 94720 (United States)

2013-11-15

To model the complex degradation phenomena occurring in concrete affected by alkali–silica reaction (ASR), we formulate a poro-mechanical model with two isotropic internal variables: the chemical and the mechanical damage. The chemical damage, related to the evolution of the reaction, is caused by the pressure generated by the expanding ASR gel on the solid concrete skeleton. The mechanical damage describes the strength and stiffness degradation induced by the external loads. As suggested by experimental results, degradation due to ASR is considered to be localized around reactive sites. The effect of the degree of saturation and of the temperature on the reaction development is also modeled. The chemical damage evolution is calibrated using the value of the gel pressure estimated by applying the electrical diffuse double-layer theory to experimental values of the surface charge density in ASR gel specimens reported in the literature. The chemo-damage model is first validated by simulating expansion tests on reactive specimens and beams; the coupled chemo-mechanical damage model is then employed to simulate compression and flexure tests results also taken from the literature. -- Highlights: •Concrete degradation due to ASR in variable environmental conditions is modeled. •Two isotropic internal variables – chemical and mechanical damage – are introduced. •The value of the swelling pressure is estimated by the diffuse double layer theory. •A simplified scheme is proposed to relate macro- and microscopic properties. •The chemo-mechanical damage model is validated by simulating tests in literature.

Petrography study on altered flint aggregate by alkali-silica reaction

International Nuclear Information System (INIS)

Bulteel, D.; Rafai, N.; Degrugilliers, P.; Garcia-Diaz, E.

2004-01-01

The aim of our study is to improve our understanding of an alkali-silica reaction (ASR) via petrography. We used a chemical concrete subsystem: flint aggregate, portlandite and KOH. The altered flint aggregate is followed by optical microscopy and scanning electron microscopy (SEM) before and after acid treatment at different intervals. After acid treatment, the observations showed an increase in aggregate porosity and revealed internal degradation of the aggregate. This degradation created amorphous zones. Before acid treatment, the analyses on polished sections by scanning electron microscopy coupled with energy dispersive spectroscopy (EDS) enabled visualization of K + and Ca 2+ penetration into the aggregate. The appearance of amorphous zones and penetration of positive ions into the aggregate are correlated with the increase in the molar fraction of silanol sites. This degradation is specific to the alkali-silica reaction

The SbASR-1 gene cloned from an extreme halophyte Salicornia brachiata enhances salt tolerance in transgenic tobacco.

Science.gov (United States)

Jha, Bhavanath; Lal, Sanjay; Tiwari, Vivekanand; Yadav, Sweta Kumari; Agarwal, Pradeep K

2012-12-01

Salinity severely affects plant growth and development. Plants evolved various mechanisms to cope up stress both at molecular and cellular levels. Halophytes have developed better mechanism to alleviate the salt stress than glycophytes, and therefore, it is advantageous to study the role of different genes from halophytes. Salicornia brachiata is an extreme halophyte, which grows luxuriantly in the salty marshes in the coastal areas. Earlier, we have isolated SbASR-1 (abscisic acid stress ripening-1) gene from S. brachiata using cDNA subtractive hybridisation library. ASR-1 genes are abscisic acid (ABA) responsive, whose expression level increases under abiotic stresses, injury, during fruit ripening and in pollen grains. The SbASR-1 transcript showed up-regulation under salt stress conditions. The SbASR-1 protein contains 202 amino acids of 21.01-kDa molecular mass and has 79 amino acid long signatures of ABA/WDS gene family. It has a maximum identity (73 %) with Solanum chilense ASR-1 protein. The SbASR-1 has a large number of disorder-promoting amino acids, which make it an intrinsically disordered protein. The SbASR-1 gene was over-expressed under CaMV 35S promoter in tobacco plant to study its physiological functions under salt stress. T(0) transgenic tobacco seeds showed better germination and seedling growth as compared to wild type (Wt) in a salt stress condition. In the leaf tissues of transgenic lines, Na(+) and proline contents were significantly lower, as compared to Wt plant, under salt treatment, suggesting that transgenic plants are better adapted to salt stress.

ASR and RE

DEFF Research Database (Denmark)

Jensen, Tim

2016-01-01

As a university discipline, the academic study of religions (ASR) has produced a critical approach to the study of religion which is (or ought be), I think, of fundamental importance for a modern secular and enlightened democratic state. However, the ”study-of-religions” approach has percolated...... with limited success into society at large as well as into the primary and secondary educational systems of Western democracies. Too often so-called religious education (RE) really is religious or confessional, and even so-called non-confessional RE is, mostly if not always, mixed with crypto......-confessional approaches, inculcation of moral values (not least those claimed to be Christian) and the promoting of religion as a resource for a more ”spiritual” approach to life. While these goals may be in line with the traditional use of the public school as the key instrument of the (nation-) state to try to confer...

HMM adaptation for child speech synthesis using ASR data

CSIR Research Space (South Africa)

Govender, N

2015-11-01

Full Text Available . This paper reports on a feasibility study that was conducted to determine whether it is possible to synthesize good quality child voices using child speech data that was recorded for automatic speech recognition (ASR) purposes. A text-to-speech system...

Energy gains from lattice-enabled nuclear reactions

International Nuclear Information System (INIS)

Nagel, David J.

2015-01-01

The energy gain of a system is defined as the ratio of its output energy divided by the energy provided to operate the system. Most familiar systems have energy gains less than one due to various inefficiencies. By contrast, lattice-enabled nuclear reactions (LENR) offer high energy gains. Theoretical values in excess of 1000 are possible. Energy gains over 100 have already been reported. But, they have not yet been sustained for commercially significant durations. This article summarizes the current status of LENR energy gains. (author)

Searching the ASRS Database Using QUORUM Keyword Search, Phrase Search, Phrase Generation, and Phrase Discovery

Science.gov (United States)

McGreevy, Michael W.; Connors, Mary M. (Technical Monitor)

2001-01-01

To support Search Requests and Quick Responses at the Aviation Safety Reporting System (ASRS), four new QUORUM methods have been developed: keyword search, phrase search, phrase generation, and phrase discovery. These methods build upon the core QUORUM methods of text analysis, modeling, and relevance-ranking. QUORUM keyword search retrieves ASRS incident narratives that contain one or more user-specified keywords in typical or selected contexts, and ranks the narratives on their relevance to the keywords in context. QUORUM phrase search retrieves narratives that contain one or more user-specified phrases, and ranks the narratives on their relevance to the phrases. QUORUM phrase generation produces a list of phrases from the ASRS database that contain a user-specified word or phrase. QUORUM phrase discovery finds phrases that are related to topics of interest. Phrase generation and phrase discovery are particularly useful for finding query phrases for input to QUORUM phrase search. The presentation of the new QUORUM methods includes: a brief review of the underlying core QUORUM methods; an overview of the new methods; numerous, concrete examples of ASRS database searches using the new methods; discussion of related methods; and, in the appendices, detailed descriptions of the new methods.

Investigation on lithium migration for treating alkali-silica reaction affected concrete

NARCIS (Netherlands)

Silva De Souza, L.M.; Polder, R.B.; Copuroglu, O.

2014-01-01

Alkali-silica reaction (ASR) is one of the major deterioration mechanisms that affect numerous concrete structures worldwide. During the reaction, hydroxyl and alkali (sodium and potassium ) ions react with certain siliceous compounds in the aggregate, forming a hygroscopic gel. The gel absorbs

Residual shear strength of a severely ASR-damaged flat slab bridge

DEFF Research Database (Denmark)

Barbosa, Ricardo Antonio; Gustenhoff Hansen, Søren; Hoang, Linh Cao

2018-01-01

moment carried by the beams. For the beams tested in asymmetric four-point bending, an increase in the shear span-to-effective depth ratio resulted in a decrease in the measured shear strength. The measured shear strengths were compared with calculated shear strengths using the Eurocode 2. Calculations...... based on the compressive strength of drilled cores were rather conservative at low shear span-to-effective depth ratios. However, the conservatism of the Eurocode 2 decreased with increasing shear span-to-effective depth ratios. With the inclusion of ASR-induced pre-stress effect, the calculated shear...... strengths correlated better with the measured shear strengths. The test results indicated that the ASR-induced pre-stress effect can, to some extent, compensate for the significant loss in material properties....

The Clinical Utility of ASRS-v1.1 for Identifying ADHD in Alcoholics Using PRISM as the Reference Standard.

Science.gov (United States)

Reyes, Maria M; Schneekloth, Terry D; Hitschfeld, Mario J; Geske, Jennifer R; Atkinson, David L; Karpyak, Victor M

2016-05-02

The objective was to assess the clinical utility of the Adult ADHD Self-Report Scale (ASRS-v1.1) in identifying ADHD in alcoholics using the Psychiatric Research Interview for Substance and Mental Disorders (PRISM) as the diagnostic "gold standard." We performed a secondary analysis of data from 379 treatment-seeking alcoholics who completed the ASRS-v1.1 and the ADHD module of the PRISM. Data analysis included descriptive statistics. The prevalence of ADHD was 7.7% (95% CI = [5.4, 10.8]). The positive predictive value (PPV) of the ASRS-v1.1 was 18.1% (95% CI = [12.4, 25.7]) and the negative predictive value (NPV) was 97.6% (95% CI = [94.9, 98.9]). The ASRS-v1.1 demonstrated a sensitivity of 79.3% (95% CI = [61.6, 90.2]) and a specificity of 70.3% (95% CI = [65.3, 74.8]). The ASRS-v1.1 demonstrated acceptable sensitivity and specificity in a sample of treatment-seeking alcoholics when compared with the PRISM as the reference standard for ADHD diagnosis. © The Author(s) 2016.

Solidification/stabilization of ASR fly ash using Thiomer material: Optimization of compressive strength and heavy metals leaching.

Science.gov (United States)

Baek, Jin Woong; Choi, Angelo Earvin Sy; Park, Hung Suck

2017-12-01

Optimization studies of a novel and eco-friendly construction material, Thiomer, was investigated in the solidification/stabilization of automobile shredded residue (ASR) fly ash. A D-optimal mixture design was used to evaluate and optimize maximum compressive strength and heavy metals leaching by varying Thiomer (20-40wt%), ASR fly ash (30-50wt%) and sand (20-40wt%). The analysis of variance was utilized to determine the level of significance of each process parameters and interactions. The microstructure of the solidified materials was taken from a field emission-scanning electron microscopy and energy dispersive X-ray spectroscopy that confirmed successful Thiomer solidified ASR fly ash due to reduced pores and gaps in comparison with an untreated ASR fly ash. The X-ray diffraction detected the enclosed materials on the ASR fly ash primarily contained sulfur associated crystalline complexes. Results indicated the optimal conditions of 30wt% Thiomer, 30wt% ASR fly ash and 40wt% sand reached a compressive strength of 54.9MPa. For the optimum results in heavy metals leaching, 0.0078mg/LPb, 0.0260mg/L Cr, 0.0007mg/LCd, 0.0020mg/L Cu, 0.1027mg/L Fe, 0.0046mg/L Ni and 0.0920mg/L Zn were leached out, being environmentally safe due to being substantially lower than the Korean standard leaching requirements. The results also showed that Thiomer has superiority over the commonly used Portland cement asa binding material which confirmed its potential usage as an innovative approach to simultaneously synthesize durable concrete and satisfactorily pass strict environmental regulations by heavy metals leaching. Copyright © 2017 Elsevier Ltd. All rights reserved.

Study on the influence of Alkali-Silica reaction on structural behavior of reinforced concrete members

International Nuclear Information System (INIS)

Murazumi, Y.; Watanabe, Y.; Matsumoto, N.; Mitsugi, S.; Takiguchi, K.; Masuda, Y.

2005-01-01

Expansion produced by alkali-silica reaction (ASR) has been observed in the turbine generator foundation of the unit 1, Ikata nuclear power station, Japan. The foundation is a reinforced concrete frame structure. This paper, as a part of the series of investigation and experiments, discusses tests on structural behavior of concrete members affected by ASR. The purpose of the study is to obtain experimental results on the effects of ASR on bending and shear behavior of reinforced concrete beams and shear walls, and compare with the calculated results by present evaluation methods for normal concrete structures For the experiments on bending/shear behavior of beam, bending test models with a small amount of rebar and shear test models with larger amount were made of concrete in which ASR was induced by adding alkali or concrete without ASR. It was found from the results that bending strength of the bending test models and shear strength of the shear test models did not fall, nor was it lower than the calculated strength for concrete members without ASR. In the shear wall test, the two test models were made of either concrete with ASR or one without it. Horizontal load was applied with actuators on the test model fixed on the test floor, while vertical load was applied with oil jacks. The results did not indicate that ASR lowered the stiffness or strength of the wall test models, showing the strength was able to be calculated with the same formula for reinforced concrete wall without ASR. (authors)

The pedagogical effectiveness of ASR-based computer assisted pronunciation training

NARCIS (Netherlands)

Neri, A.

2007-01-01

Computer Assisted Pronunciation Training (CAPT) systems with Automatic Speech Recognition (ASR) technology have become increasingly popular to train pronunciation in the second language (L2). The advantage of these systems is the provision of a self-paced, stress-free type of training with automatic

Enabling nucleophilic substitution reactions of activated alkyl fluorides through hydrogen bonding.

Science.gov (United States)

Champagne, Pier Alexandre; Pomarole, Julien; Thérien, Marie-Ève; Benhassine, Yasmine; Beaulieu, Samuel; Legault, Claude Y; Paquin, Jean-François

2013-05-03

It was discovered that the presence of water as a cosolvent enables the reaction of activated alkyl fluorides for bimolecular nucleophilic substitution reactions. DFT calculations show that activation proceeds through stabilization of the transition structure by a stronger F···H2O interaction and diminishing C-F bond elongation, and not simple transition state electrostatic stabilization. Overall, the findings put forward a distinct strategy for C-F bond activation through H-bonding.

Modeling Time-Dependent Behavior of Concrete Affected by Alkali Silica Reaction in Variable Environmental Conditions.

Science.gov (United States)

Alnaggar, Mohammed; Di Luzio, Giovanni; Cusatis, Gianluca

2017-04-28

Alkali Silica Reaction (ASR) is known to be a serious problem for concrete worldwide, especially in high humidity and high temperature regions. ASR is a slow process that develops over years to decades and it is influenced by changes in environmental and loading conditions of the structure. The problem becomes even more complicated if one recognizes that other phenomena like creep and shrinkage are coupled with ASR. This results in synergistic mechanisms that can not be easily understood without a comprehensive computational model. In this paper, coupling between creep, shrinkage and ASR is modeled within the Lattice Discrete Particle Model (LDPM) framework. In order to achieve this, a multi-physics formulation is used to compute the evolution of temperature, humidity, cement hydration, and ASR in both space and time, which is then used within physics-based formulations of cracking, creep and shrinkage. The overall model is calibrated and validated on the basis of experimental data available in the literature. Results show that even during free expansions (zero macroscopic stress), a significant degree of coupling exists because ASR induced expansions are relaxed by meso-scale creep driven by self-equilibriated stresses at the meso-scale. This explains and highlights the importance of considering ASR and other time dependent aging and deterioration phenomena at an appropriate length scale in coupled modeling approaches.

Recognition of Voice Commands by Multisource ASR and Noise Cancellation in a Smart Home Environment

OpenAIRE

Vacher , Michel; Lecouteux , Benjamin; Portet , François

2012-01-01

International audience; In this paper, we present a multisource ASR system to detect home automation orders in various everyday listening conditions in a realistic home. The system is based on a state of the art echo cancellation stage that feeds recently introduced ASR techniques. The evaluation was conducted on a realistic noisy data set acquired in a smart home where a microphone was placed near the noise source and several other microphones were placed in different rooms. This distant spe...

Reactive transport impacts on recovered freshwater quality during multiple partially penetrating wells (MPPW-)ASR in a brackish heterogeneous aquifer

NARCIS (Netherlands)

Zuurbier, Koen G.; Hartog, Niels; Stuyfzand, Pieter J.

The use of multiple partially penetrating wells (MPPW) during aquifer storage and recovery (ASR) in brackish aquifers can significantly improve the recovery efficiency (RE) of unmixed injected water. The water quality changes by reactive transport processes in a field MPPW-ASR system and their

Shear capacity of ASR damaged structures – in-depth analysis of some in-situ shear tests on bridge slabs

DEFF Research Database (Denmark)

Hansen, Søren Gustenhoff; Barbosa, Ricardo Antonio; Hoang, Linh Cao

2016-01-01

This paper deals with the influence of alkali-silica reaction (ASR) on the shear capacity for concrete slabs without shear reinforcement. An experimental full-scale in-situ program consisting of four slabs from a bridge (Vosnæsvej) has been carried out and the results have been published in ref. [1......] with the principal author of this paper as co-author. After the experiments, a detailed measurement of the test specimens was conducted. Based on these measurements a thorough analysis of the experimental results was carried out and evaluated by a plastic model for shear capacity, Crack Sliding Model (CSM...

A smartphone-based ASR data collection tool for under-resourced languages

CSIR Research Space (South Africa)

De Vries, NJ

2014-01-01

Full Text Available collection strategies, highlighting some of the salient issues pertaining to collecting ASR data for under-resourced languages. We then describe the development of a smartphone-based data collection tool, Woefzela, which is designed to function in a...

Psychometric properties of the Japanese version of the Adult Attention-deficit hyperactivity disorder (ADHD) Self-Report Scale (ASRS-J) and its short scale in accordance with DSM-5 diagnostic criteria.

Science.gov (United States)

Takeda, Toshinobu; Tsuji, Yui; Kurita, Hiroshi

2017-04-01

We developed the Japanese version of the Adult ADHD Self-Report Scale (ASRS-J) and report its psychometric properties. The ASRS-J and other questionnaires were administered to 48 adults with ADHD, 46 adults with non-ADHD psychiatric disorders, 96 non-clinical adults, and 894 university students. ADHD diagnoses were made using the Japanese semi-structured diagnostic interview for adult ADHD, which is compatible with the DSM-5. The ASRS-J, its subscales, and the short form, all had Cronbach's α values of around 0.80. Total scores on the ASRS-J and the ASRS-J-6 were highly correlated with readministration after a two-week interval. The total and 18 individual item scores in the ASRS-J were significantly higher in the ADHD group than the other three groups. ASRS-J scores were correlated with scores on the Japanese version of Conners' Adult ADHD Rating Scales-Self Report subscales (0.59≤r≤0.77), with one exception. ASRS-J scores were also correlated (albeit more weakly; r=0.38) with Beck Depression Inventory-II total scores. Employing optimal cut-offs, sensitivity, specificity, and positive and negative predictive values of the ASRS-J and ASRS-J-6 are all above 0.69. The ASRS-J and ASRS-J-6 showed acceptable psychometric properties, although further study is necessary. Copyright © 2017 Elsevier Ltd. All rights reserved.

Characterization of alkali silica reaction gels using Raman spectroscopy

International Nuclear Information System (INIS)

Balachandran, C.; Muñoz, J.F.; Arnold, T.

2017-01-01

The ability of Raman spectroscopy to characterize amorphous materials makes this technique ideal to study alkali silica reaction (ASR) gels. The structure of several synthetic ASR gels was thoroughly characterized using Raman Spectroscopy. The results were validated with additional techniques such as Fourier transmission infrared spectroscopy, X-ray powder diffraction and thermogravimetric analysis. The Raman spectra were found to have two broad bands in the 800 to 1200 cm −1 range and the 400 to 700 cm −1 range indicating the amorphous nature of the gel. Important information regarding the silicate polymerization was deduced from both of these spectral regions. An increase in alkali content of the gels caused a depolymerization in the silicate framework which manifested in the Raman spectra as a gradual shift of predominant peaks in both regions. The trends in silicate depolymerization were in agreement with results from a NMR spectroscopy study on similar synthetic ASR gels.

Monitoring, Modeling, and Diagnosis of Alkali-Silica Reaction in Small Concrete Samples

Energy Technology Data Exchange (ETDEWEB)

Agarwal, Vivek [Idaho National Lab. (INL), Idaho Falls, ID (United States); Cai, Guowei [Idaho National Lab. (INL), Idaho Falls, ID (United States); Gribok, Andrei V. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Mahadevan, Sankaran [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2015-09-01

Assessment and management of aging concrete structures in nuclear power plants require a more systematic approach than simple reliance on existing code margins of safety. Structural health monitoring of concrete structures aims to understand the current health condition of a structure based on heterogeneous measurements to produce high-confidence actionable information regarding structural integrity that supports operational and maintenance decisions. This report describes alkali-silica reaction (ASR) degradation mechanisms and factors influencing the ASR. A fully coupled thermo-hydro-mechanical-chemical model developed by Saouma and Perotti by taking into consideration the effects of stress on the reaction kinetics and anisotropic volumetric expansion is presented in this report. This model is implemented in the GRIZZLY code based on the Multiphysics Object Oriented Simulation Environment. The implemented model in the GRIZZLY code is randomly used to initiate ASR in a 2D and 3D lattice to study the percolation aspects of concrete. The percolation aspects help determine the transport properties of the material and therefore the durability and service life of concrete. This report summarizes the effort to develop small-size concrete samples with embedded glass to mimic ASR. The concrete samples were treated in water and sodium hydroxide solution at elevated temperature to study how ingress of sodium ions and hydroxide ions at elevated temperature impacts concrete samples embedded with glass. Thermal camera was used to monitor the changes in the concrete sample and results are summarized.

转香蕉MaASR1基因的拟南芥株系在干旱胁迫条件下的表达谱分析%Analysis of Banana MaASR1 Gene Expression Profiles in Arabidopsis Under Drought Stress

Institute of Scientific and Technical Information of China (English)

张丽丽; 徐碧玉; 刘菊华; 贾彩红; 张建斌; 金志强

2017-01-01

Drought is the most important environmental stress.MaASR1 gene of banana plays an important role in plant responding to stress.In order to further study the molecular mechanism of drought resistance for over expressing MaASR1 gene in Arabidopsis thaliana.DNA microarray was used to broad-spectrum screening the differentially expressed genes under natural and drought treatment in wild-type Arabidopsis thaliana and transgenic lines.The results of the DNA microarray were analyzed by bioinformatics and RT-PCR verification of the related genes.The results showed that when the wild-type Arabidopsis thaliana and transgenic lines were all without any treatment,there was a total of 747 differentially expressed genes,including 559 up-regulated genes and 188down-regulated genes.And when the wild-type Arabidopsis thaliana and transgenic lines were all drought-treated,there was a total of 653 differentially expressed genes,including 256 up-regulated genes and 397 down-regulated genes.MaASR1 gene can increase the drought resistance of Arabidopsis thaliana by affecting the expression of hormone,photosynthesis,zinc finger protein and DREB2A which involved in the ABA-independent pathway.And to lay the foundation for the molecular mechanism of MaASR1 gene as a transcription factor to improve plant drought resistance.%干旱是最重要的环境胁迫,香蕉MaASR1基因在植物响应逆境胁迫时发挥着重要作用,为了深入研究MaASR1基因的过表达使拟南芥抗旱的分子机制,利用全基因组表达芯片来广谱的筛选MaASR1基因转入后自然条件下及干旱处理条件下差异基因的表达情况.对基因芯片的结果进行了详细的生物信息学分析及相关基因的RT-PCR验证,结果表明MaASR1基因异源表达的拟南芥株系在自然生长条件下共有747个差异基因,其中上调基因559个,下调基因188个;在干旱胁迫条件下共得到653个差异基因,其中上调基因256个,下调基因397个;MaASR1�

The effects of supplementary cementitious materials on alkali-silica reaction.

Science.gov (United States)

2015-07-01

The Kansas Department of Transportation (KDOT) has controlled alkali-silica reaction (ASR) for more than : 70 years through the use of selected aggregates. Sand and gravel sources had to be tested using Kansas Test Method : KTMR-23 (1999), Wetting an...

Effect of aquifer storage and recovery (ASR) on recovered stormwater quality variability.

Science.gov (United States)

Page, D W; Peeters, L; Vanderzalm, J; Barry, K; Gonzalez, D

2017-06-15

Aquifer Storage and Recovery (ASR) is increasingly being considered as a means of reusing urban stormwater to supplement available urban water resources. Storage of stormwater in an aquifer has been shown to affect water quality but it has also been claimed that storage will also decrease the stormwater quality variability making for improved predictability and management. This study is the first to document the changes in stormwater quality variability as a result of subsurface storage at four full scale ASR sites using advanced statistical techniques. New methods to examine water quality are required as data is often highly left censored and so traditional measures of variability such as the coefficient of variation are inappropriate. It was observed that for some water quality parameters (most notably E. coli) there was a marked improvement of water quality and a significant decrease in variability at all sites. This means that aquifer storage prior to engineered treatment systems may be advantageous in terms of system design to avoid over engineering. For other parameters such as metal(loids)s and nutrients the trend was less clear due to the numerous processes occurring during storage leading to an increase in variability, especially for geogenic metals and metalloids such as iron and arsenic. Depending upon the specific water quality parameters and end use, use of ASR may not have a dampening effect on stormwater quality variability. Crown Copyright © 2017. Published by Elsevier Ltd. All rights reserved.

Quantitative diagnosis and prognosis framework for concrete degradation due to alkali-silica reaction

Science.gov (United States)

Mahadevan, Sankaran; Neal, Kyle; Nath, Paromita; Bao, Yanqing; Cai, Guowei; Orme, Peter; Adams, Douglas; Agarwal, Vivek

2017-02-01

This research is seeking to develop a probabilistic framework for health diagnosis and prognosis of aging concrete structures in nuclear power plants that are subjected to physical, chemical, environment, and mechanical degradation. The proposed framework consists of four elements: monitoring, data analytics, uncertainty quantification, and prognosis. The current work focuses on degradation caused by ASR (alkali-silica reaction). Controlled concrete specimens with reactive aggregate are prepared to develop accelerated ASR degradation. Different monitoring techniques — infrared thermography, digital image correlation (DIC), mechanical deformation measurements, nonlinear impact resonance acoustic spectroscopy (NIRAS), and vibro-acoustic modulation (VAM) — are studied for ASR diagnosis of the specimens. Both DIC and mechanical measurements record the specimen deformation caused by ASR gel expansion. Thermography is used to compare the thermal response of pristine and damaged concrete specimens and generate a 2-D map of the damage (i.e., ASR gel and cracked area), thus facilitating localization and quantification of damage. NIRAS and VAM are two separate vibration-based techniques that detect nonlinear changes in dynamic properties caused by the damage. The diagnosis results from multiple techniques are then fused using a Bayesian network, which also helps to quantify the uncertainty in the diagnosis. Prognosis of ASR degradation is then performed based on the current state of degradation obtained from diagnosis, by using a coupled thermo-hydro-mechanical-chemical (THMC) model for ASR degradation. This comprehensive approach of monitoring, data analytics, and uncertainty-quantified diagnosis and prognosis will facilitate the development of a quantitative, risk informed framework that will support continuous assessment and risk management of structural health and performance.

In situ alkali-silica reaction observed by x-ray microscopy

International Nuclear Information System (INIS)

Kurtis, K.E.; Monteiro, P.J.M.; Brown, J.T.; Meyer-Ilse, W.

1997-01-01

In concrete, alkali metal ions and hydroxyl ions contributed by the cement and reactive silicates present in aggregate can participate in a destructive alkali-silica reaction (ASR). This reaction of the alkalis with the silicates produces a gel that tends to imbibe water found in the concrete pores, leading to swelling of the gel and eventual cracking of the affected concrete member. Over 104 cases of alkali-aggregate reaction in dams and spillways have been reported around the world. At present, no method exists to arrest the expansive chemical reaction which generates significant distress in the affected structures. Most existing techniques available for the examination of concrete microstructure, including ASR products, demand that samples be dried and exposed to high pressure during the observation period. These sample preparation requirements present a major disadvantage for the study of alkali-silica reaction. Given the nature of the reaction and the affect of water on its products, it is likely that the removal of water will affect the morphology, creating artifacts in the sample. The purpose of this research is to observe and characterize the alkali-silica reaction, including each of the specific reactions identified previously, in situ without introducing sample artifacts. For observation of unconditioned samples, x-ray microscopy offers an opportunity for such an examination of the alkali-silica reaction. Currently, this investigation is focusing on the effect of calcium ions on the alkali-silica reaction

In situ alkali-silica reaction observed by x-ray microscopy

Energy Technology Data Exchange (ETDEWEB)

Kurtis, K.E.; Monteiro, P.J.M. [Univ. of California, Berkeley, CA (United States); Brown, J.T.; Meyer-Ilse, W. [Ernest Orlando Lawrence Berkeley National Lab., CA (United States)

1997-04-01

In concrete, alkali metal ions and hydroxyl ions contributed by the cement and reactive silicates present in aggregate can participate in a destructive alkali-silica reaction (ASR). This reaction of the alkalis with the silicates produces a gel that tends to imbibe water found in the concrete pores, leading to swelling of the gel and eventual cracking of the affected concrete member. Over 104 cases of alkali-aggregate reaction in dams and spillways have been reported around the world. At present, no method exists to arrest the expansive chemical reaction which generates significant distress in the affected structures. Most existing techniques available for the examination of concrete microstructure, including ASR products, demand that samples be dried and exposed to high pressure during the observation period. These sample preparation requirements present a major disadvantage for the study of alkali-silica reaction. Given the nature of the reaction and the affect of water on its products, it is likely that the removal of water will affect the morphology, creating artifacts in the sample. The purpose of this research is to observe and characterize the alkali-silica reaction, including each of the specific reactions identified previously, in situ without introducing sample artifacts. For observation of unconditioned samples, x-ray microscopy offers an opportunity for such an examination of the alkali-silica reaction. Currently, this investigation is focusing on the effect of calcium ions on the alkali-silica reaction.

Contribution a la caracterisation des betons endommages par des methodes de l'acoustique non lineaire. Application a la reaction alcalis-silice

Science.gov (United States)

Kodjo, Apedovi

The aim of this thesis is to contribute to the non-destructive characterization of concrete materials damaged by alkali-silica reaction (ASR). For this purpose, some nonlinear characterization techniques have been developed, as well as a nonlinear resonance test device. In order to optimize the sensitivity of the test device, the excitation module and signal processing have been improved. The nonlinear tests were conducted on seven samples of concrete damaged by ASR, three samples of concrete damaged by heat, three concrete samples damaged mechanically and three sound concrete samples. Since, nonlinear behaviour of the material is often attribute to its micro-defects hysteretic behaviour, it was shown at first that concrete damaged by ASR exhibits an hysteresis behaviour. To conduct this study, an acoustoelastic test was set, and then nonlinear resonance test device was used for characterizing sound concrete and concrete damaged by ASR. It was shown that the nonlinear technique can be used for characterizing the material without knowing its initial state, and also for detecting early damage in the reactive material. Studies were also carried out on the effect of moisture regarding the nonlinear parameters; they allowed understanding the low values of nonlinear parameters measured on concrete samples that were kept in high moisture conditions. In order to find a specific characteristic of damage caused by ASR, the viscosity of ASR gel was used. An approach, based on static creep analysis, performed on the material, while applying the nonlinear resonance technique. The spring-damping model of Maxwell was used for the interpretation of the results. Then, the creep time was analysed on samples damaged by ASR. It appears that the ASR gel increases the creep time. Finally, the limitations of the nonlinear resonance technique for in situ application have been explained and a new applicable nonlinear technique was initiated. This technique use an external source such as a

A proposed aging management program for alkali silica reactions in a nuclear power plant

Energy Technology Data Exchange (ETDEWEB)

Saouma, Victor E., E-mail: saouma@colorado.edu; Hariri-Ardebili, Mohammad A.

2014-10-01

Drawing from publicly available information, this paper addresses the alkali silica reaction management of Seabrook nuclear power plant. The essence of the reaction is first examined, followed by a summary of findings, current and planned work. Then, the authors draw on their experience in ASR to first comment on the current work, and then complete the paper with what they would recommend. An important observation is that ASR constitutes a major challenge to the nuclear industry, and a thorough understanding of the State of the Art is essential before a holistic approach is undertaken. It is neither a simple nor an inexpensive challenge, yet a most critical one that industry and regulators must confront. This paper is only a breach into such an effort.

A proposed aging management program for alkali silica reactions in a nuclear power plant

International Nuclear Information System (INIS)

Saouma, Victor E.; Hariri-Ardebili, Mohammad A.

2014-01-01

Drawing from publicly available information, this paper addresses the alkali silica reaction management of Seabrook nuclear power plant. The essence of the reaction is first examined, followed by a summary of findings, current and planned work. Then, the authors draw on their experience in ASR to first comment on the current work, and then complete the paper with what they would recommend. An important observation is that ASR constitutes a major challenge to the nuclear industry, and a thorough understanding of the State of the Art is essential before a holistic approach is undertaken. It is neither a simple nor an inexpensive challenge, yet a most critical one that industry and regulators must confront. This paper is only a breach into such an effort

A real case of steam-cured concrete track slab premature deterioration due to ASR and DEF

Directory of Open Access Journals (Sweden)

Kunlin Ma

2017-06-01

Full Text Available Deterioration mechanisms of some premature damaged steam-cured concrete track slabs (CTS in Chinese railway less than 4 years were investigated. Field investigation, raw materials test and suspicious products analysis were carried out. Results show that steam-cured heat damage (SCHD of concrete takes place in steam-cured process. Expansion products are ettringite in hydrated products and alkali-silica gels between the interface of hydrated products and coarse aggregate. SCHD makes CTS surface layer loose, porous and more micro-cracks. Long-term fatigue load from high-speed train acting on CTS enlarges concrete microcracks, leading to water penetrating into concrete easily in moist and rainy environment. In the process of water ingression, alkali-silica reaction (ASR and delayed ettringite formation (DEF take place, hence resulting in CTS cracking and premature deterioration.

Reaction products of densified silica fume agglomerates in concrete

International Nuclear Information System (INIS)

Diamond, Sidney; Sahu, Sadananda; Thaulow, Niels

2004-01-01

Most silica fume currently used in concrete is in the dry densified form and consists of agglomerates of sizes between 10 μm and several millimeters. Many of these agglomerates may break down only partially in normal concrete mixing. Examination of various mature silica-fume-bearing concretes using backscatter mode scanning electron microscopy (SEM) and energy-dispersive X-ray (EDX) analysis shows that such agglomerates have reacted in situ and given rise to recognizable types of reaction products filling the space within the original outline of the agglomerate. One type is 'quiescent', and usually shows no evidence of volume instability. EDX spectra indicate that the product formed within such grains is C-S-H of very low Ca/Si ratio, with modest alkali contents. Other silica fume agglomerates may undergo a distinct alkali-silica-type reaction (ASR), with the reaction product found within the original outline of the agglomerate having significantly less calcium and usually much higher alkali contents than the quiescent type. Such reacted agglomerates show evidence of local expansion, shrinkage cracking (on drying), and other features common to ASR. Both types may be found within the same concrete, sometimes in close proximity. It further appears that exposure to seawater may convert previously formed reaction products of silica fume agglomerates to magnesium silicate hydrates

The effects of supplementary cementitious materials on alkali-silica reaction : [technical summary].

Science.gov (United States)

2015-07-01

The Kansas Department of Transportation (KDOT) has controlled alkali-silica : reaction (ASR) for more than 70 years through the use of selected aggregates. : Sand and gravel sources had to be tested using Kansas Test Method KTMR- : 23 (1999), Wetting...

Investigation of structural integrity for turbine generator foundation affected by alkali-silica reaction

International Nuclear Information System (INIS)

Ryo Fujimoto; Hiroshi Shimizu; Hisashi Sekimoto; Yuichi Watanabe; Tatsuya Ishikawa

2005-01-01

Turbine Generator Foundation is a reinforced concrete structure having a table deck to support equipments and columns to support the table deck. After operation of the plant, the expansion of the table deck in turbine longitudinal axis in the structure has been observed. By investigation of concrete material property, it is found that the expansion has been caused by alkali-silica reaction (ASR). In this study, we evaluate the material properties of the structure affected by ASR and safety margin of capacity of the structure by nonlinear analysis using beam element model with those material properties. (authors)

Isolation of a novel abscisic acid stress ripening ( OsASR ) gene ...

African Journals Online (AJOL)

Isolation of a novel abscisic acid stress ripening ( OsASR ) gene from rice and analysis of the response of this gene to abiotic stresses. ... The cDNA with the whole open reading frame (ORF) was amplified by PCR and cloned. Sequence analysis showed that the cDNA encodes a protein of 284 amino acid residues with ...

Masgid Sultan Qansuh Al Ghury: Sheikh Antar: Asr Adhan

OpenAIRE

Kipervaser, Anna; LLC; On Look Films

2010-01-01

Sheikh Antar recites ‘Asr adhan at 4:38pm on August 10, 2010 at the Sultan Qansuh Al Ghury Mosque in El-Hussein (Islamic Cairo), calling the faithful to come and to pray. Sheikh Antar has recited the adhan here for 5 years, as a volunteer. Video & audio recordings of 6 muezzins reciting the adhan (Muslim call to prayer), with supporting photographs of muezzins and their respective mosques. Hartley Film Foundation, National Geographic All Roads Film Project, Lucius and Eva Ea...

Automated Storage Retrieval System (ASRS) Role Towards Achievement of Safety Objective and Safety Culture in Radioactive Storage Facilities

International Nuclear Information System (INIS)

Mohamad Hakiman Mohd Yusoff; Nurul Wahida Ahmad Khairuddin; Nik Marzukee Nik Ibrahim; Mat Bakar Mahusin; Muhammad, Z.A.; Nur Azna Mahmud; Norfazlina Zainal Abidin

2012-01-01

Waste Technology Development Centre (WasTeC) has been awarded with quality management system ISO 9001:2000 in June 2004 or now known as ISO 9001:2008. The scope of the unit's ISO certification is radioactive waste management and storage of radioactive material. To meet the objectives and requirements ISO 9001:2008, WasTeC has started a project known as Automated Storage and Retrieval System (ASRS). ASRS is a computing controlled method for automatically depositing and retrieving waste from defined locations. The system is used to replace the existing process of storage and retrieval of radioactive waste at storage facility at block 33.The main objective of this project is to reduced the radiation exposure to the worker and potential forklift accident occur during storage and retrieval of the radioactive waste. By using the ASRS system, WasTeC/ Nuclear Malaysia can provide a safe storage of radioactive waste and the use of this system can eliminate the repeat handling and can improve productivity. (author)

2010 Atmospheric System Research (ASR) Science Team Meeting Summary

Energy Technology Data Exchange (ETDEWEB)

Dupont, DL

2011-05-04

This document contains the summaries of papers presented in poster format at the March 2010 Atmospheric System Research Science Team Meeting held in Bethesda, Maryland. More than 260 posters were presented during the Science Team Meeting. Posters were sorted into the following subject areas: aerosol-cloud-radiation interactions, aerosol properties, atmospheric state and surface, cloud properties, field campaigns, infrastructure and outreach, instruments, modeling, and radiation. To put these posters in context, the status of ASR at the time of the meeting is provided here.

Lattice-enabled nuclear reactions in the nickel and hydrogen gas system

International Nuclear Information System (INIS)

Nagel, David J.

2015-01-01

Thousands of lattice-enabled nuclear reaction (LENR) experiments involving electrochemical loading of deuterium into palladium have been conducted and reported in hundreds of papers. But, it appears that the first commercial LENR power generators will employ gas loading of hydrogen onto nickel. This article reviews the scientific base for LENR in the gas-loaded Ni-H system, and some of the tests of pre-commercial prototype generators based on this combination. (author)

Trajectory Analysis of Copper and Glass Particles in Electrostatic Separation for the Recycling of ASR

Directory of Open Access Journals (Sweden)

Beom-uk Kim

2017-10-01

Full Text Available Automobile-shredder-residue (ASR recycling techniques have been widely applied for improving the total recycling rate of end-of-life vehicles. In this study, to obtain useful information for predicting or improving ASR-separation efficiency, trajectory analyses of conductors (copper and non-conductors (glass were performed using a lab-scale induction electrostatic separator. The copper-wire trajectories obtained showed a good agreement depending significantly on the electric field strength and particle size. The observed copper-wire trajectories showed consistent congruity with the coarse-particles simulation (0.5 and 0.25 mm. The observed fine-particles (0.06 mm trajectory was deflected toward the (− attractive electrode, owing to the charge density effects due to the particle characteristics and relative humidity. This results in superior separation performance because more copper enters the conductor products bin. The actual dielectric-glass trajectory was deflected toward the (− attractive electrode, thus showing characteristics similar to conductive-particle characteristics. Through analyses conducted using a stereoscopic microscope, scanning electron microscope, and energy dispersive spectroscope, we found heterogeneous materials (fine ferrous particles and conductive organics on the glass surface. This demonstrates the separation-efficiency decrease for non-ferrous metals during electrostatic separation in the recycling of ASR. Future work should include a pretreatment process for eliminating impurities from the glass and advanced trajectory-simulation processes.

NavMol 3.0: enabling the representation of metabolic reactions by blind users.

Science.gov (United States)

Binev, Yuri; Peixoto, Daniela; Pereira, Florbela; Rodrigues, Ian; Cavaco, Sofia; Lobo, Ana M; Aires-de-Sousa, João

2018-01-01

The representation of metabolic reactions strongly relies on visualization, which is a major barrier for blind users. The NavMol software renders the communication and interpretation of molecular structures and reactions accessible by integrating chemoinformatics and assistive technology. NavMol 3.0 provides a molecular editor for metabolic reactions. The user can start with templates of reactions and build from such cores. Atom-to-atom mapping enables changes in the reactants to be reflected in the products (and vice-versa) and the reaction centres to be automatically identified. Blind users can easily interact with the software using the keyboard and text-to-speech technology. NavMol 3.0 is free and open source under the GNU general public license (GPLv3), and can be downloaded at http://sourceforge.net/projects/navmol as a JAR file. joao@airesdesousa.com. © The Author (2017). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com

Validity and reliability of the attention deficit hyperactivity disorder self-report scale (ASRS-v1.1) in a clinical sample with eating disorders.

Science.gov (United States)

Carlucci, Samantha; Ivanova, Iryna; Bissada, Hany; Tasca, Giorgio A

2017-08-01

Individuals with eating disorders (EDs) commonly experience comorbid attention deficit hyperactivity disorder (ADHD). The shared features of EDs and ADHD, such as inattention, impulsivity and hyperactivity, may exacerbate ED symptomatology and pose challenges to treatment. It is important to screen patients with EDs for symptoms of ADHD to optimize their treatment outcomes. However, the psychometrics of common measures of ADHD have not yet been examined within an ED population. An example of such a measure is the ADHD self-report scale (ASRS-v1.1) symptom checklist, which identifies the presence of ADHD symptoms. This study reports a psychometric study of the ASRS-v1.1 in a clinical sample of 500 adults with an ED. A confirmatory factor analysis indicated the ASRS-v1.1 maintained its two-factor structure of inattention and impulsivity/hyperactivity. The item loadings demonstrated path invariance across ED diagnostic groups indicating construct validity. Further, the subscales exhibited good internal consistency and they were significantly correlated with other measures of impulsivity indicating convergent validity. The ED sample had significantly higher mean scores than published nonclinical norms indicating predictive validity, but the ASRS-v1.1 scores were not significantly different among ED diagnostic groups. Results suggest the ASRS-v1.1 is a valid and reliable screening tool for identifying symptoms of ADHD among adults seeking treatment for ED. Copyright © 2017 Elsevier Ltd. All rights reserved.

Identification and characterization of a gibberellin-regulated protein, which is ASR5, in the basal region of rice leaf sheaths.

Science.gov (United States)

Takasaki, Hironori; Mahmood, Tariq; Matsuoka, Makoto; Matsumoto, Hiroshi; Komatsu, Setsuko

2008-04-01

Gibberellins (GAs) regulate growth and development in higher plants. To identify GA-regulated proteins during rice leaf sheath elongation, a proteomic approach was used. Proteins from the basal region of leaf sheath in rice seedling treated with GA(3) were analyzed by fluorescence two-dimensional difference gel electrophoresis. The levels of abscisic acid-stress-ripening-inducible 5 protein (ASR5), elongation factor-1 beta, translationally controlled tumor protein, fructose-bisphosphate aldolase and a novel protein increased; whereas the level of RuBisCO subunit binding-protein decreased by GA(3) treatment. ASR5 out of these six proteins was significantly regulated by GA(3) at the protein level but not at the mRNA level in the basal region of leaf sheaths. Since this protein is regulated not only by abscisic acid but also by GA(3), these results indicate that ASR5 might be involved in plant growth in addition to stress in the basal regions of leaf sheaths.

The unipolar ASR : Viable option in unsalvageable femoral head conditions in the young patient

Directory of Open Access Journals (Sweden)

Marya SKS

2006-01-01

Full Text Available Background: The management of unsalvageable femoral head conditions in the young patient has remained an unresolved dilemma. Articular surface replacement of the hip has recently made some headway in terms of providing near-normal hip joint mechanics and function. However, this surgery has been limited to early stages of arthritis only with reasonable maintenance of head-neck congruity and morphology. Femoral neck fractures, osteonecrosis with large segment collapse, advanced arthritis with femoral incongruity, etc are traditional contraindications to the resurfacing technique. Methods: We present here a report on our series of 20 cases of unsalvageable femoral heads in young patients (age range, 27 to 52yrs, over a twelve month period (Aug 2004 to Jul 2005, treated with the unipolar ASR prosthesis. Fifteen patients (two had bilateral hip pathology had primary or secondary arthritis (degenerative, post-traumatic, ankylosing spondylitis and post-avascular necrosis while three had old operated femoral neck fractures. All patients underwent hip replacement surgery using the Unipolar ASR prosthesis. Results: Clinical and radiological results at 6-month follow up have been very encouraging and warrant further study. At an average of 4 months post-operatively, patients were able to squat, sit on the ground and perform light sporting activities. Conclusions: The Unipolar ASR prosthesis is an extension of the articular resurfacing technique employing similar principles (large size bearings, metal-on-metal interfaces, and has incorporated the advantages of the uncemented technique. We propose that this technique be more frequently used so as to brighten the prognosis of the young active patient with unsalvageable hip conditions, especially in the Asian scenario.

Automotive shredder residue (ASR) and compact disc (CD) waste: options for recovery of materials and energy. Final report for study funded by Ekokem Oy Ab 2002

Energy Technology Data Exchange (ETDEWEB)

Zevenhoven, R.; Saeed, L.

2002-07-01

Automotive shredder residue (ASR) Auto shredder residue (ASR), also referred to as auto shredder fluff, shedder light fraction (SLF), residues from shredding (RESH) or simply 'auto fluff' of 'fluff', is the fraction of an shredded end-of-life vehicle (ELV) for which recycling routes do not yet exist. After removing several recyclable parts such as bumpers (recycled into splash plates or into new bumpers, air bags, batteries, fuel tanks and nowadays also tyres and sometimes even seats, the dismantled vehicle is shredded. The ASR is then obtained as the light shredder fraction from the airflow separator that separates it from the heavier metallic fraction, which is fully recyclable as a secondary raw material. ASR is a complex mixture of plastics (rigid and foam), rubber, glass, wood, paper, leather, textile, sand plus other dirt, and a significant fraction of metals. It may be feasible to remove a large plastics or non-ferrous fraction from the ASR or it may be separated into fractions that contain lighter and heavier fractions, respectively. The ASR fraction is typically around 20 - 25 % of the weight of the ELV it derives from. Whilst for Finland the amount of ASR produced is around 25000 tonnes annually, this number is at least 100 times higher for North America, which suggests that worldwide the annual production will be of the order of 10 million tonnes. Although recycling and recovery of ELV components is increasing the increasing number of vehicles will give a further rise of ASR generated for years to come. Since the mid-1990's there is, however, increased concern over how to handle this waste material and in European countries that follow EU legislations and directives, important changes are being enforced by three new directives: Directive 2000/53/EC (September 18, 2000) on End-of-Life Vehicles, Directive 200/76/EC (December 4, 2000) on the Incineration of Waste and Directive 1999/31/EC (April 26, 1999) on the Landfill of Waste

Introgression of the SbASR-1 Gene Cloned from a Halophyte Salicornia brachiata Enhances Salinity and Drought Endurance in Transgenic Groundnut (Arachis hypogaea) and Acts as a Transcription Factor

Science.gov (United States)

Tiwari, Vivekanand; Chaturvedi, Amit Kumar; Mishra, Avinash; Jha, Bhavanath

2015-01-01

The SbASR-1 gene, cloned from a halophyte Salicornia brachiata, encodes a plant-specific hydrophilic and stress responsive protein. The genome of S. brachiata has two paralogs of the SbASR-1 gene (2549 bp), which is comprised of a single intron of 1611 bp, the largest intron of the  abscisic acid stress ripening [ASR] gene family yet reported. In silico analysis of the 843-bp putative promoter revealed the presence of ABA, biotic stress, dehydration, phytohormone, salinity, and sugar responsive cis-regulatory motifs. The SbASR-1 protein belongs to Group 7 LEA protein family with different amino acid composition compared to their glycophytic homologs. Bipartite Nuclear Localization Signal (NLS) was found on the C-terminal end of protein and localization study confirmed that SbASR-1 is a nuclear protein. Furthermore, transgenic groundnut (Arachis hypogaea) plants over-expressing the SbASR-1 gene constitutively showed enhanced salinity and drought stress tolerance in the T1 generation. Leaves of transgenic lines exhibited higher chlorophyll and relative water contents and lower electrolyte leakage, malondialdehyde content, proline, sugars, and starch accumulation under stress treatments than wild-type (Wt) plants. Also, lower accumulation of H2O2 and O2.- radicals was detected in transgenic lines compared to Wt plants under stress conditions. Transcript expression of APX (ascorbate peroxidase) and CAT (catalase) genes were higher in Wt plants, whereas the SOD (superoxide dismutase) transcripts were higher in transgenic lines under stress. Electrophoretic mobility shift assay (EMSA) confirmed that the SbASR-1 protein binds at the consensus sequence (C/G/A)(G/T)CC(C/G)(C/G/A)(A/T). Based on results of the present study, it may be concluded that SbASR-1 enhances the salinity and drought stress tolerance in transgenic groundnut by functioning as a LEA (late embryogenesis abundant) protein and a transcription factor. PMID:26158616

Preventive measures against concrete damage to ASR in the Netherlands current state-of-affairs

NARCIS (Netherlands)

Heijnen, W.M.M.; Larbi, J.A.

1999-01-01

In CUR-Recommendation 38, various vital measures that need to be taken during design of new concrete-mixtures in order to prevent damage due to ASR in the concrete have been outlined. The most important of these measures are: - the use of blast furnace slag cement (with a high slag content: ≥50% by

Workload management and geographic disorientation in aviation incidents: A review of the ASRS data base

Science.gov (United States)

Williams, Henry P.; Tham, Mingpo; Wickens, Christopher D.

1993-01-01

NASA's Aviation Safety Reporting System (ASRS) incident reports are reviewed in two related areas: pilots' failures to appropriately manage tasks, and breakdowns in geographic orientation. Examination of 51 relevant reports on task management breakdowns revealed that altitude busts and inappropriate runway usee were the most frequently reported consequences. Task management breakdowns appeared to occur at all levels of expertise, and prominent causal factors were related to breakdowns in crew communications, over-involvement with the flight management system and, for small (general aviation) aircraft, preoccupation with weather. Analysis of the 83 cases of geographic disorientation suggested that these too occurred at all levels of pilot experience. With regard to causal factors, a majority was related to poor cockpit resource management, in which inattention led to a loss of geographic awareness. Other leading causes were related to poor weather and poor decision making. The potential of the ASRS database for contributing to research and design issues is addressed.

Number pronunciation in a multilingual environment and implications for an ASR system

CSIR Research Space (South Africa)

Molapo, R

2014-11-01

Full Text Available . Mbogho, “Web-based corpus acquisition for Swahili language modelling,” in 3rd workshop on Spoken Languages Technolo- gies for Under-resourced languages, 2012, pp. 42–47. [8] T. Schlippe, C. Zhu, J. Gebhardt, and T. Schultz, “Text normalization based... multilingual environment and implications for an ASR system Raymond Molapo Human Language Technologies Research Group Meraka Institute CSIR, South Africa Multilingual Speech Technologies Group North-West University Vanderbijlpark South Africa Email: rmolapo...

Antimicrobial resistance pattern of Gram –negative bacilli isolated of Vali-Asr Hospital wards in Arak

Directory of Open Access Journals (Sweden)

Farshid Didgar

2014-11-01

Full Text Available Background: Infectious diseases are of the most important causes of mortality all around the world particular in developing countries. Recently, the most important thing that has worried medical society is antibiotic resistance. Multi-resistant gram_negative rods are important pathogens in hospitals, causing high rate of mortality.The main goal of this study was to investigate the antimicrobial resistance patterns among common gram-negative bacilli isolated from patients of Vali-Asr Hospital. Material and Methods: This is a cross-sectional descriptive study conducted between the years 2010-2012 in Vali-Asr hospital in Arak. In this study 1120 specimen were examined. Bacterial strains were isolated by conventional methods from various clinical samples of patients including: blood, urine, wound, sputum, CSF, andetc.All isolates were examined for antimicrobial resistance using disc diffusion method. Results: In this study 737 specimen were positive cultures. A total of 332 isolates of Gram-negative bacilli were identified. The most frequent gram negative bacteria were isolated from urine, wound, blood, respiratory secretion and catheter. The most frequent pathogens were E.coli followed by k.pneumonia, entrobacter, p.oaeruginosa, Acinetobacter spp, citrobacter and proteus. High rate of resistance to third generation of cephalospoins & carbapenems observed amang isolates of Acintobacter spp.Prodution of extended spectrum beralactamases (ESBLS was found in 51.4% of all Gram negative bacteria. Conclusion: Antibiotic resistance, particularly multi-drug resistance is frequent among microorganisms of ValiAsr Hospital. Resistance in our country, like other countries have been shown to be increased, so it is highly recommended to prohibit unnecessary prescription of antibiotics.

Friedel-Crafts reaction of benzyl fluorides: selective activation of C-F bonds as enabled by hydrogen bonding.

Science.gov (United States)

Champagne, Pier Alexandre; Benhassine, Yasmine; Desroches, Justine; Paquin, Jean-François

2014-12-08

A Friedel-Crafts benzylation of arenes with benzyl fluorides has been developed. The reaction produces 1,1-diaryl alkanes in good yield under mild conditions without the need for a transition metal or a strong Lewis acid. A mechanism involving activation of the C-F bond through hydrogen bonding is proposed. This mode of activation enables the selective reaction of benzylic C-F bonds in the presence of other benzylic leaving groups. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mathematical Optimization Algorithm for Minimizing the Cost Function of GHG Emission in AS/RS Using Positive Selection Based Clonal Selection Principle

Science.gov (United States)

Mahalakshmi; Murugesan, R.

2018-04-01

This paper regards with the minimization of total cost of Greenhouse Gas (GHG) efficiency in Automated Storage and Retrieval System (AS/RS). A mathematical model is constructed based on tax cost, penalty cost and discount cost of GHG emission of AS/RS. A two stage algorithm namely positive selection based clonal selection principle (PSBCSP) is used to find the optimal solution of the constructed model. In the first stage positive selection principle is used to reduce the search space of the optimal solution by fixing a threshold value. In the later stage clonal selection principle is used to generate best solutions. The obtained results are compared with other existing algorithms in the literature, which shows that the proposed algorithm yields a better result compared to others.

Assessment of Patients with a DePuy ASR Metal-on-Metal Hip Replacement: Results of Applying the Guidelines of the Spanish Society of Hip Surgery in a Tertiary Referral Hospital

Directory of Open Access Journals (Sweden)

Jenaro Fernández-Valencia

2014-01-01

Full Text Available The prognosis associated with the DePuy ASR hip cup is poor and varies according to the series. This implant was withdrawn from use in 2010 and all patients needed to be assessed. We present the results of the assessment of our patients treated with this device, according to the Spanish Society of Hip Surgery (SECCA algorithm published in 2011. This retrospective study evaluates 83 consecutive ASR cups, followed up at a mean of 2.9 years. Serum levels of chromium and cobalt, as well as the acetabular abduction angle, were determined in order to assess their possible correlation with failure, defined as the need for revision surgery. The mean Harris Hip Score was 83.2 (range 42–97. Eight arthroplasties (13.3% required revision due to persistent pain and/or elevated serum levels of chromium/cobalt. All the cups had a correct abduction angle, and there was no correlation between elevated serum levels of metal ions and implant failure. Since two previous ASR implants were exchanged previously to the recall, the revision rate for ASR cups in our centre is 18.2% at 2.9 years.

The limitations of data perturbation for ASR of learner data in under-resourced languages

CSIR Research Space (South Africa)

Badenhorst, Jacob AC

2017-11-01

Full Text Available receive their training in English or one of the other dominant languages and who start their careers in rural areas therefore often work in communities where people communicate in a language that they are not proficient in. The most prominent example....05. IV. EXPERIMENTAL DESIGN A. ASR system We trained phone recognition systems using the open source Kaldi toolkit and followed a training recipe based on the Wall Street Journal and TIMIT example recipes [11]. In particular, we used a setup of position...

Optimal Scheduling for Retrieval Jobs in Double-Deep AS/RS by Evolutionary Algorithms

Directory of Open Access Journals (Sweden)

Kuo-Yang Wu

2013-01-01

Full Text Available We investigate the optimal scheduling of retrieval jobs for double-deep type Automated Storage and Retrieval Systems (AS/RS in the Flexible Manufacturing System (FMS used in modern industrial production. Three types of evolutionary algorithms, the Genetic Algorithm (GA, the Immune Genetic Algorithm (IGA, and the Particle Swarm Optimization (PSO algorithm, are implemented to obtain the optimal assignments. The objective is to minimize the working distance, that is, the shortest retrieval time travelled by the Storage and Retrieval (S/R machine. Simulation results and comparisons show the advantages and feasibility of the proposed methods.

A Demonstration of Concrete Structural Health Monitoring Framework for Degradation due to Alkali-Silica Reaction

Energy Technology Data Exchange (ETDEWEB)

Mahadevan, Sankaran [Idaho National Lab. (INL), Idaho Falls, ID (United States); Agarwal, Vivek [Idaho National Lab. (INL), Idaho Falls, ID (United States); Neal, Kyle [Idaho National Lab. (INL), Idaho Falls, ID (United States); Nath, Paromita [Idaho National Lab. (INL), Idaho Falls, ID (United States); Bao, Yanqing [Idaho National Lab. (INL), Idaho Falls, ID (United States); Cai, Guowei [Idaho National Lab. (INL), Idaho Falls, ID (United States); Orme, Peter [Idaho National Lab. (INL), Idaho Falls, ID (United States); Adams, Douglas [Idaho National Lab. (INL), Idaho Falls, ID (United States); Kosson, David [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2016-04-01

Assessment and management of aging concrete structures in nuclear power plants require a more systematic approach than simple reliance on existing code margins of safety. Structural health monitoring of concrete structures aims to understand the current health condition of a structure based on heterogeneous measurements to produce high-confidence actionable information regarding structural integrity that supports operational and maintenance decisions. This ongoing research project is seeking to develop a probabilistic framework for health diagnosis and prognosis of aging concrete structures in a nuclear power plant that is subjected to physical, chemical, environment, and mechanical degradation. The proposed framework consists of four elements: monitoring, data analytics, uncertainty quantification and prognosis. This report focuses on degradation caused by ASR (alkali-silica reaction). Controlled specimens were prepared to develop accelerated ASR degradation. Different monitoring techniques – thermography, digital image correlation (DIC), mechanical deformation measurements, nonlinear impact resonance acoustic spectroscopy (NIRAS), and vibro-acoustic modulation (VAM) -- were used to detect the damage caused by ASR. Heterogeneous data from the multiple techniques was used for damage diagnosis and prognosis, and quantification of the associated uncertainty using a Bayesian network approach. Additionally, MapReduce technique has been demonstrated with synthetic data. This technique can be used in future to handle large amounts of observation data obtained from the online monitoring of realistic structures.

Preventive measures against concrete damage to ASR in the Netherlands current state-of-affairs

OpenAIRE

Heijnen, W.M.M.; Larbi, J.A.

1999-01-01

In CUR-Recommendation 38, various vital measures that need to be taken during design of new concrete-mixtures in order to prevent damage due to ASR in the concrete have been outlined. The most important of these measures are: - the use of blast furnace slag cement (with a high slag content: ≥50% by mass of cement as slag); - or the use of portland fly ash cement (containing at least 25% by mass of cement as fly ash). If one of these cement types is used, then the potential reactivity of the a...

Evaluation of Vali Asr (aj hospital effluent for irrigation of the green

Directory of Open Access Journals (Sweden)

Taher Shahryari

2012-05-01

Full Text Available Background and Aim: Recycling of sewage in our country can be one of the ways to overcome the problem of water shortage. The aim of this paper is Evaluation of Valli-e-asr hospital effluent for irrigation of the green. Materials and Methods: During the 12 months of the project since January 2009, twelve samples of the hospital water were selected. 35 samples were taken both from raw sewage and refined effluent with the average frequency of two samples every month. Various physical, chemical, and biological factors were measured on the basis of the standard method book (AWWA. The gathered data was statistically analyzed using SPSS software (version 15 and paired T test at the significant level . Results: The percentages of separating some parameters such as BOD, TSS, COD, and MPS in the exiting effluent were 63.56%, 44.9%, 42.9%, and 89.97% respectively and those of the parameters PH, Mg, SO4, and SAR were 7.52mg/l, 66.82 mg/l, 382.14 mg/l, and 0.54 mg/l respectively. The amount of parameters BOD, COD, TSS, MPN, EC, CL, TDS, and NA% were 165.14mg/l, 887.657mg/l, 784.4286mg/l, 1856857 MPN, 4137.97µs/cm, 999mg/l, 2866.57mg/l, and 75.11% respectively. Conclusion: The sewage refinery of Valli-e-asr hospital does not produce a favorable outcome and some of the parameters of the effluent such as PH, Mg, SO4, and SAR are in accord with the standards of reusing in agriculture and irrigation but many of the necessary parameters do not correspond with the necessary standards for this task.

FY 2001 report on the survey of the formation promotion subsidy project on the environmentally friendly type energy community. Potential survey of the introduction of a processing/power generation system using ASR in the South region of Tochigi Prefecture; 2001 nendo kankyo chowa gata energy komyuniti keisei sokushin hojo jigyo. Tochigi ken nanbu chiiki ni okeru ASR (Shuredda dust) wo nenryo to shita shori hatsuden system no donyu kanosei chosa chosa hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

2002-03-01

For the consistent processing of waste automobile in Tochigi Prefecture and the neighboring area, survey/study were made of the thermal recycle using shredder dust, ASR (automobile shredder residue), as fuel as well as the material recycle. As to the amount of material recycle of waste automobile, the amount of potential recycle of iron, copper, plastic, etc. was estimated, and it was found out that the potential recycle of parts such as engine was 40-45%, that of iron scrap 35-40%, and that of ASR 20-25%. The amount of fuel (ASR amount) to be thrown into the gasification power generation system was set up at 150t. As the gasification power generation system, the pyrolysis gasifier and shaft kiln gasification melting furnace were selected. In the study of economical efficiency of the gasification power generation system, the following were considered: ASR processing price, plant cost, subsidy, running cost, char receiving price, power selling price, etc., but even in the case of the pyrolysis gasifier with highest valuation, both payback years and IRR did not reach the target. (NEDO)

Decision Support System for Aquifer Recharge (AR) and Aquifer Storage and Recovery (ASR) Planning, Design, and Evaluation - Principles and Technical Basis

Science.gov (United States)

Aquifer recharge (AR) is a technical method being utilized to enhance groundwater resources through man-made replenishment means, such as infiltration basins and injections wells. Aquifer storage and recovery (ASR) furthers the AR techniques by withdrawal of stored groundwater at...

Murai Reaction on Furfural Derivatives Enabled by Removable N,N'-Bidentate Directing Groups.

Science.gov (United States)

Pezzetta, Cristofer; Veiros, Luis F; Oble, Julie; Poli, Giovanni

2017-06-22

Furfural and related compounds are industrially relevant building blocks obtained from lignocellulosic biomass. To enhance the added value of these renewable resources, a Ru-catalyzed hydrofurylation of alkenes, involving a directed C-H activation at C3 of the furan ring, was developed. A thorough experimental study revealed that a bidentate amino-imine directing group enabled the desired coupling. Removal of the directing group occurred during the purification step, directly releasing the C3-functionalized furfurals. Development of the reaction as well as optimization and scope of the method were described. A mechanism was proposed on the basis of DFT calculations. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Influence of alkali-silica reaction and crack orientation on the uniaxial compressive strength of concrete cores from slab bridges

DEFF Research Database (Denmark)

Antonio Barbosa, Ricardo; Gustenhoff Hansen, Søren; Hansen, Kurt Kielsgaard

2018-01-01

ASR-damaged flat slab bridges in service. Furthermore, the influence of the ASR-induced crack orientation on the compressive strength and the Young’s modulus is investigated. Uniaxial compression tests, visual observations, and thin section examinations were performed on more than 100 cores drilled...... from the three severely ASR-damaged flat slab bridges. It was found that the orientation of ASR-induced cracks has a significant influence on the uniaxial compressive strength and the stress-strain relationship of the tested cores. The compressive strength in a direction parallel to ASR cracks can...

Ternary CaCu4P2-type pnictides AAg4Pn2 (A=Sr, Eu; Pn=As, Sb)

Science.gov (United States)

Stoyko, Stanislav S.; Khatun, Mansura; Scott Mullen, C.; Mar, Arthur

2012-08-01

Four ternary pnictides AAg4Pn2 (A=Sr, Eu; Pn=As, Sb) were prepared by reactions of the elements at 850 °C and their crystal structures were determined from single-crystal X-ray diffraction studies. These silver-containing pnictides AAg4Pn2 adopt the trigonal CaCu4P2-type structure (Pearson symbol hR21, space group R3¯m, Z=3; a=4.5555(6) Å, c=24.041(3) Å for SrAg4As2; a=4.5352(2) Å, c=23.7221(11) Å for EuAg4As2; a=4.7404(4) Å, c=25.029(2) Å for SrAg4Sb2; a=4.7239(3) Å, c=24.689(2) Å for EuAg4Sb2), which can be derived from the trigonal CaAl2Si2-type structure of the isoelectronic zinc-containing pnictides AZn2Pn2 by insertion of additional Ag atoms into trigonal planar sites within [M2Pn2]2- slabs built up of edge-sharing tetrahedra. Band structure calculations on SrAg4As2 and SrAg4Sb2 revealed that these charge-balanced Zintl phases actually exhibit no gap at the Fermi level and are predicted to be semimetals.

Comparison of HMM experts with MLP experts in the Full Combination Multi-Band Approach to Robust ASR

OpenAIRE

Hagen, Astrid; Morris, Andrew

2000-01-01

In this paper we apply the Full Combination (FC) multi-band approach, which has originally been introduced in the framework of posterior-based HMM/ANN (Hidden Markov Model/Artificial Neural Network) hybrid systems, to systems in which the ANN (or Multilayer Perceptron (MLP)) is itself replaced by a Multi Gaussian HMM (MGM). Both systems represent the most widely used statistical models for robust ASR (automatic speech recognition). It is shown how the FC formula for the likelihood--based MGMs...

Benchmarking, Research, Development, and Support for ORNL Automated Image and Signature Retrieval (AIR/ASR) Technologies

Energy Technology Data Exchange (ETDEWEB)

Tobin, K.W.

2004-06-01

This report describes the results of a Cooperative Research and Development Agreement (CRADA) with Applied Materials, Inc. (AMAT) of Santa Clara, California. This project encompassed the continued development and integration of the ORNL Automated Image Retrieval (AIR) technology, and an extension of the technology denoted Automated Signature Retrieval (ASR), and other related technologies with the Defect Source Identification (DSI) software system that was under development by AMAT at the time this work was performed. In the semiconductor manufacturing environment, defect imagery is used to diagnose problems in the manufacturing line, train yield management engineers, and examine historical data for trends. Image management in semiconductor data systems is a growing cause of concern in the industry as fabricators are now collecting up to 20,000 images each week. In response to this concern, researchers at the Oak Ridge National Laboratory (ORNL) developed a semiconductor-specific content-based image retrieval method and system, also known as AIR. The system uses an image-based query-by-example method to locate and retrieve similar imagery from a database of digital imagery using visual image characteristics. The query method is based on a unique architecture that takes advantage of the statistical, morphological, and structural characteristics of image data, generated by inspection equipment in industrial applications. The system improves the manufacturing process by allowing rapid access to historical records of similar events so that errant process equipment can be isolated and corrective actions can be quickly taken to improve yield. The combined ORNL and AMAT technology is referred to hereafter as DSI-AIR and DSI-ASR.

Synthesis, structure, and electrical conductivity of A'[A(sub 2)B(sub 3)O(sub 10)] (A'=Rb, Cs A=Sr, Ba; B=Nb, Ta)

International Nuclear Information System (INIS)

Thangadurai, Venkataraman; Schmid-Beurmann, Peter; Weppner, Werner

2001-01-01

New members of Dion-Jacobson (D-J)-type layered perovskites of the general formula A'[A(sub 2)B(sub 3)O(sub 10)] (A'=Rb, Cs; A=Sr, Ba; B=Nb, Ta) were prepared by solid-state reactions between the metal oxides, nitrates, and carbonates under specific conditions. The crystal structures were determined using powder X-ray diffraction data in combination with Rietveld analysis. The c-axis lattice parameter increases as the size of the alkaline earth ion increases. Both Sr and Ba compounds crystallize in a tetragonal cell, while the corresponding Ca compounds crystallize in an orthorhombic cell. The electrical conductivity of the layered perovskites was determined using AC impedance analysis and DC methods. Among the compounds with the same alkali ion and different alkaline earth ions, the Ca compound exhibits a higher electrical conductivity than the corresponding Sr and Ba compounds. DC measurements reveal that the layered perovskites exhibit both ionic and electronic conduction

Structural modelling of ASR-affected concrete : The approach developed in the PAT-ASR project

NARCIS (Netherlands)

Esposito, R.; Hendriks, M.A.N.

2013-01-01

The Alkali-Silica Reaction is a harmful reaction which can compromise the integrity and capacity of concrete structures. Due to its nature, a multiscale material model has been chosen to perform structural analyses. The model aims to couple the chemical and mechanical effects in order to

Use of Fly Ash in the Mitigation of Alkali-Silica Reaction in Concrete

Science.gov (United States)

2010-11-12

crystallinity of the silica and its solubility. Common reactive minerals susceptible to ASR include strained quartz, cristobalite, opal, obsidian , chert, and... obsidian .[5] Adequate Moisture Adequate moisture, the third and final necessary component for ASR to occur, is one of the key components in the

The use of lithium compounds for inhibiting alkali-aggregate reaction effects in pavement structures

Science.gov (United States)

Zapała-Sławeta, J.; Owsiak, Z.

2018-05-01

Internal corrosion of concrete caused by the reaction of reactive aggregate with sodium and potassium hydroxides from cement is a threat to the durability of concrete pavements. Traditional methods for reducing the negative effects of the reaction include the use of unreactive aggregates, low alkali cements, mineral additives or chemical admixtures, incorporated during mixing. Lowering the relative humidity of the concrete below 80% is another measure for limiting the destructive reaction. The incorporation of lithium compounds, in particular lithium nitrate and lithium hydroxide, to the concrete mix is a method of limiting alkali-silica reaction effects. The challenge is to reduce the negative effects of aggregate reactivity in members in which the reaction has occurred because the aggregate happened to be reactive. The paper presents ways of limiting the deterioration of ASR-affected concrete in road pavements and other forms of transportation infrastructure, mainly through the use of lithium compounds, i.e. lithium nitrate. Impregnation methods that allow the penetration of lithium ions into the concrete structure were characterized, as was the effectiveness of the solutions applied.

CORROSION LOCALISEE DES ACIERS API 5L-X52 DE LA LIGNE ASR/MP SOLLICITE EN SOL ALGERIEN

OpenAIRE

BENDJEBBOUR, Amina

2011-01-01

L'étude porte sur les défaillances par corrosion localisée dans les aciers API de grade X52 de la ligne de pipelines ASR/MP acheminant les produits pétroliers sollicités en sol corrosif après échec des systèmes de protection anticorrosion (AC) à base de liants hydrocarbonés ou encore à base d'un système en multicouche complétée par une protection cathodique.

Anodic Cyclization Reactions and the Mechanistic Strategies That Enable Optimization.

Science.gov (United States)

Feng, Ruozhu; Smith, Jake A; Moeller, Kevin D

2017-09-19

Oxidation reactions are powerful tools for synthesis because they allow us to reverse the polarity of electron-rich functional groups, generate highly reactive intermediates, and increase the functionality of molecules. For this reason, oxidation reactions have been and continue to be the subject of intense study. Central to these efforts is the development of mechanism-based strategies that allow us to think about the reactive intermediates that are frequently central to the success of the reactions and the mechanistic pathways that those intermediates trigger. For example, consider oxidative cyclization reactions that are triggered by the removal of an electron from an electron-rich olefin and lead to cyclic products that are functionalized for further elaboration. For these reactions to be successful, the radical cation intermediate must first be generated using conditions that limit its polymerization and then channeled down a productive desired pathway. Following the cyclization, a second oxidation step is necessary for product formation, after which the resulting cation must be quenched in a controlled fashion to avoid undesired elimination reactions. Problems can arise at any one or all of these steps, a fact that frequently complicates reaction optimization and can discourage the development of new transformations. Fortunately, anodic electrochemistry offers an outstanding opportunity to systematically probe the mechanism of oxidative cyclization reactions. The use of electrochemical methods allows for the generation of radical cations under neutral conditions in an environment that helps prevent polymerization of the intermediate. Once the intermediates have been generated, a series of "telltale indicators" can be used to diagnose which step in an oxidative cyclization is problematic for less successful transformation. A set of potential solutions to address each type of problem encountered has been developed. For example, problems with the initial

Identification of critical residues in loop E in the 5-HT3ASR binding site

Directory of Open Access Journals (Sweden)

Muthalagi Mani

2002-06-01

Full Text Available Abstract Background The serotonin type 3 receptor (5-HT3R is a member of a superfamily of ligand gated ion channels. All members of this family share a large degree of sequence homology and presumably significant structural similarity. A large number of studies have explored the structure-function relationships of members of this family, particularly the nicotinic and GABA receptors. This information can be utilized to gain additional insights into specific structural and functional features of other receptors in this family. Results Thirteen amino acids in the mouse 5-HT3ASR that correspond to the putative E binding loop of the nicotinic α7 receptor were chosen for mutagenesis. Due to the presence of a highly conserved glycine in this region, it has been suggested that this binding loop is comprised of a hairpin turn and may form a portion of the ligand-binding site in this ion channel family. Mutation of the conserved glycine (G147 to alanine eliminated binding of the 5-HT3R antagonist [3H]granisetron. Three tyrosine residues (Y140, Y142 and Y152 also significantly altered the binding of 5-HT3R ligands. Mutations in neighboring residues had little or no effect on binding of these ligands to the 5-HT3ASR. Conclusion Our data supports a role for the putative E-loop region of the 5-HT3R in the binding of 5-HT, mCPBG, d-tc and lerisetron. 5-HT and mCPBG interact with Y142, d-tc with Y140 and lerisetron with both Y142 and Y152. Our data also provides support for the hypothesis that this region of the receptor is present in a loop structure.

Métodos de evaluación de las reacciones álcali-sílice en hormigones con áridos reciclados Evaluation methods of alkali-silica reaction in concrete with recycled aggre-gates

Directory of Open Access Journals (Sweden)

Miguel Barreto Santos

2009-08-01

Full Text Available Las reacciones álcali-sílice son una de las causas químicas de la degradación de los hormigones con áridos pétreos (HAP que comprometen su durabilidad. La introducción de áridos reciclados (AR en los hormigones produce alteraciones en sus propiedades y diferencias en los resultados de los ensayos de evaluación de las RAS. Se encuentran en la bibliografía algunos cuidados en la evaluación de los AR y de los hormigones con áridos reciclados (HAR en cuanto a la RAS, así como propuestas de modificación de las metodologías de ensayo existentes. Existen propuestas de modificación del ensayo acelerado de mortero y hormigón con AR para acelerar las reacciones y recomendaciones para evitar alteraciones en las características del AR grueso, durante la preparación de probetas. Algunos artículos recomiendan la pre-saturación del AR, debido a su absorción de agua, para evitar variaciones en los resultados de expansión de probetas de hormigón a edades prematuras. El presente artículo pretende describir sucintamente las características de los HAR y de las RAS presentando observaciones de la bibliografía en cuanto a los métodos de evaluación de las RAS en HAR y en HAP.Alkali-silica reactions (ASR are one of the causes of chemical degradation of concrete with natural aggregates (CNA that compromise its durability. The introduction of recycled aggregates (RA in concrete creates changes in their properties and differences in the results of the evaluation tests of ASR. Existing bibliography emphasizes special care in the evaluation of RA and concrete with recycled aggregate (CRA for ASR and changes are proposed to the existing test methods. There are proposals to change the accelerated test of mortar and concrete with RA to accelerate the reactions and recommendations to prevent changes in the characteristics of the RA, during the preparation of samples. Some articles recommend the pre-saturation of the AR, due to its absorption of

KONSEP DESAIN MEKANISME TELESKOPIS AS/RS (AUTOMATED STORAGE AND RETRIEVAL SYSTEM DAN ANALISIS BEBAN PADA GUIDE RAIL

Directory of Open Access Journals (Sweden)

Febriansyah Febriansyah

2017-01-01

Full Text Available Sistem penyimpanan barang semakin berkembang pemakaiannya, terutama pada industri-industri maju. Hal ini disebabkan semakin banyaknya jumlah permintaan akan barang-barang kebutuhan baik industri maupun rumah tangga. Oleh karena itulah dikembangkan sistem penyimpanan dan pengambilan barang secara otomatis yang biasa dikenal dengan AS/RS. Untuk merancang sistem penyimpanan dan pengambilan barang tersebut, perlu terlebih dahulu memilih model sistem yang digunakan. Dalam perancangan ini dipilih model Telescopic Shuttle, dengan pertimbangan lebih efisien dari sisi pemakain ruang.Untuk merancang Telescopic Shuttle menggunakan bantuan software Autodesk Inventor Professional 2015, yang kemudian dibandingkan dengan perhitungan manual tegangan serta efek defleksi terjadi.

Nondestructive analysis of alkali-silica reaction damage in concrete slabs using shear waves

Science.gov (United States)

Khazanovich, Lev; Freeseman, Katelyn; Salles, Lucio; Clayton, Dwight

2018-04-01

Alkali-silica reaction (ASR) is the chemical reaction that occurs in concrete. It is caused by the interaction of alkalis in Portland cement and silica in aggregates and results in microcracks within the material. This type of damage has been the focus of nondestructive evaluation efforts in recent history, but no work was done on in-situ structures or large-scale samples. To address these limitations, an ultrasonic linear array device, MIRA, was utilized for this research. An experimental investigation was performed on four slabs with various levels of alkali-silica reaction at the Electric Power Research Institute (EPRI) [1]. One-period impulses with a target of 50kHz center frequency were selected in this study. We propose the use of the Hilbert Transform Indicator (HTI) for quantification of ASR damage [2]. A higher HTI value would be indicative of damaged concrete, while a low value represents sound concrete. In general, values below 90 are regarded as an indicator of sound concrete while values above 100 indicate the presence of damage [3]. The ability of the HTI values to distinguish between areas of damaged concrete was evident via the production of color intensity maps. The maps show that the control specimen, was in good condition, while other slabs exhibited higher levels of damage as indicated by the HTI values. It should be noted that extreme damage conditions were not present in any of the slabs. Evaluation of migration-based reconstructions can give a qualitative characterization of large scale or excessive subsurface damage. However, for detection of stochastic damage mechanisms such as freeze-thaw damage, evaluation of the individual time-history data can provide additional information. A comparison of the spatially diverse measurements on several concrete slabs with varying freeze-thaw damage levels is given in this study. Signal characterization scans of different levels of freeze-thaw damage at various transducer spacing is investigated. The

Epidemiologic study of patients with DVT in Birjand Vali-e-asr hospital- (2009-2014: Short Communication

Directory of Open Access Journals (Sweden)

Toba Kazemi

2016-04-01

Full Text Available Background and Aim: Deep vein thrombosis (DVT is a condition that, in case of delay in diagnosis and treatment, can lead to serious complications like pulmonary embolism. Given the importance of assessment and identification of diseases in every community, the current study aimed at assessing the epidemiology of DVT patients in Birjand. Materials and Methods: The present descriptive-analytical study was conducted on all DVT patients admitted to Birjand Vali-e-asr hospital between 2009 and 2014. A trained medical student completed each researcher-designed questionnaire. based on an intern’s history recording, a physician's orders ,and a nurse’s note. Then, the patients were called up demanding the status of the patient and disease complications, readmission ,or death. Finally, the obtained data was encoded and analyzed by SPSS(V: 18 at the significant level P<0.05. Results: During the study period,263 patients with DVThad been hospitalized in Birjand Vali-e-asr hospital .Out of the patients, 50.2% were males. Mean age of the subjects was 55.84 ± 18.45 years. In 98.1% of the cases the lower extremity was involved. The most prevalent risk factor was immobilization and the least risk factor was family history of DVT. Regarding the relationship between DVT risk factors and sex only smoking cigarettes was both significant and more prevalent. During 5 years, 3.8% of the population had died due to DVT complications. Recurrent DVT in 6% and pulmonary emboli in 3.4% of the patients were diagnosed. Conclusion: Given that the most common risk factor for DVT in our study was immobilization, prophylaxis is necessary in patients at high risk tin order to decrease occurrence possibility of DVT.

Speech-enabled Computer-aided Translation

DEFF Research Database (Denmark)

Mesa-Lao, Bartolomé

2014-01-01

The present study has surveyed post-editor trainees’ views and attitudes before and after the introduction of speech technology as a front end to a computer-aided translation workbench. The aim of the survey was (i) to identify attitudes and perceptions among post-editor trainees before performing...... a post-editing task using automatic speech recognition (ASR); and (ii) to assess the degree to which post-editors’ attitudes and expectations to the use of speech technology changed after actually using it. The survey was based on two questionnaires: the first one administered before the participants...

Deep Eutectic Solvents Enable More Robust Chemoenzymatic Epoxidation Reactions

NARCIS (Netherlands)

Zhou, Pengfei; Wang, Xuping; Zeng, Chaoxi; Wang, Weifei; Yang, Bo; Hollmann, F.; Wang, Yonghua

2017-01-01

A chemoenzymatic method for the production of epoxidized vegetable oils was developed. The unique combination of the commercial lipase G from Penicillieum camembertii with certain deep eutectic solvents enabled the efficient production of epoxidized vegetable oils.

Natural Arsenic in the Miocene Hawthorn Group, Florida: Wide Ranging Implications for ASR, Phosphate Mining, Private Well

Science.gov (United States)

Lazareva, O. V.; Pichler, T.

2004-12-01

organic material, clays, and iron oxides contain lower As concentrations contrasted to pyrite; (5) Pyrite occurs in framboidal and euhedral forms. Because phosphorous, arsenic and sulfur are chemically closely related, they often occur together in nature, thus posing a potential problem for the phosphate industry. There have been several occurrences of swine fatalities due to arsenic poisoning as a result of phosphate feed supplements. Information about the concentration, distribution and mineralogical association of naturally occurring As is important, because this is a first step to forecast its behavior during anthropogenic induced physico-chemical changes in the aquifer. Recently, aquifer storage and recovery (ASR) facilities in central Florida reported As concentrations in excess of 100 μ g/L in recovered water. The ASR storage zone is the Suwannee Limestone, which directly underlies the Hawthorn sediments. It is crucial to the future of ASR in this area to understand the source and distribution of arsenic in the overlying Hawthorn Group and the cycling of arsenic in the Florida platform.

The redox-Mannich reaction.

Science.gov (United States)

Chen, Weijie; Seidel, Daniel

2014-06-06

A complement to the classic three-component Mannich reaction, the redox-Mannich reaction, utilizes the same starting materials but incorporates an isomerization step that enables the facile preparation of ring-substituted β-amino ketones. Reactions occur under relatively mild conditions and are facilitated by benzoic acid.

Evaluation on an influence to turbine generator installed on a concrete foundation structure affected by alkali-silica reaction

International Nuclear Information System (INIS)

Takeo Takakura; Takashi Momoo; Shigeru Harada; Yoshihisa Asai; Takashi Hosokawa

2005-01-01

A turbine generator to be evaluated is a one with 566 MW capacity installed on a reinforced concrete supporting structure having a table deck portion where equipments are installed and columns to support on the table deck. After the initial operation of this turbine generator started, a difference from the initial setting at an installation stage was found at turbine generator in the annual inspection on 1979. The turbine generator foundation (herein after TG foundation) had expanded mainly longitudinal direction, and it was confirmed this expansion occurred due to affected by Alkali-Silica reaction (herein after ASR) according to concrete core samples tests. The measurement for TG foundation such as displacements started at this time. On the other hand, bearing metal temperatures and shaft vibration for the turbine generator have been continuously monitored by supervisory from initial operation. No abnormal alarm or trips by extraordinary metal temperature or axle vibration of the turbine generator due to TG foundation expansion affected by ASR have been arisen. However it is required to confirm sounding of this turbine generator in order to safely operation. The purpose of this paper checked and examined allowable capacity of turbine generator and TG foundation, in order to operate continuously and safely. (authors)

Waste conversion into high-value ceramics: Carbothermal nitridation synthesis of titanium nitride nanoparticles using automotive shredder waste.

Science.gov (United States)

Mayyas, Mohannad; Pahlevani, Farshid; Maroufi, Samane; Liu, Zhao; Sahajwalla, Veena

2017-03-01

Environmental concern about automotive shredder residue (ASR) has increased in recent years due to its harmful content of heavy metals. Although several approaches of ASR management have been suggested, these approaches remain commercially unproven. This study presents an alternative approach for ASR management where advanced materials can be generated as a by-product. In this approach, titanium nitride (TiN) has been thermally synthesized by nitriding pressed mixture of automotive shredder residue (ASR) and titanium oxide (TiO 2 ). Interactions between TiO 2 and ASR at non-isothermal conditions were primarily investigated using thermogravimetric analysis (TGA) and differential scanning calorimetry. Results indicated that TiO 2 influences and catalyses degradation reactions of ASR, and the temperature, at which reduction starts, was determined around 980 °C. The interaction between TiO 2 and ASR at isothermal conditions in the temperature range between 1200 and 1550 °C was also studied. The pressed mixture of both materials resulted in titanium nitride (TiN) ceramic at all given temperatures. Formation kinetics were extracted using several models for product layer diffusion-controlled solid-solid and solid-fluid reactions. The effect of reactants ratio and temperature on the degree of conversion and morphology was investigated. The effect of reactants ratio was found to have considerable effect on the morphology of the resulting material, while temperature had a lesser impact. Several unique structures of TiN (porous nanostructured, polycrystalline, micro-spherical and nano-sized structures) were obtained by simply tuning the ratio of TiO 2 to ASR, and a product with appreciable TiN content of around 85% was achieved after only one hour nitridation at 1550 °C. Copyright © 2016 Elsevier Ltd. All rights reserved.

A New Zealand platform to enable genetic investigation of adverse drug reactions.

Science.gov (United States)

Maggo, Simran Ds; Chua, Eng Wee; Chin, Paul; Cree, Simone; Pearson, John; Doogue, Matthew; Kennedy, Martin A

2017-12-01

A multitude of factors can affect drug response in individuals. It is now well established that variations in genes, especially those coding for drug metabolising enzymes, can alter the pharmacokinetic and/or pharmacodynamic profile of a drug, impacting on efficacy and often resulting in drug-induced toxicity. The UDRUGS study is an initiative from the Carney Centre for Pharmacogenomics to biobank DNA and store associated clinical data from patients who have suffered rare and/or serious adverse drug reactions (ADRs). The aim is to provide a genetic explanation of drug-induced ADRs using methods ranging from Sanger sequencing to whole exome and whole genome sequencing. Participants for the UDRUGS study are recruited from various sources, mainly via referral through clinicians working in Canterbury District Health Board, but also from district health boards across New Zealand. Participants have also self-referred to us from word-of-mouth communication between participants. We have recruited various ADRs across most drug classes. Where possible, we have conducted genetic analyses in single or a cohort of cases to identify known and novel genetic association(s) to offer an explanation to why the ADR occurred. Any genetic results relevant to the ADR are communicated back to the referring clinician and/or participant. In conclusion, we have developed a programme for studying the genetic basis of severe, rare or unusual ADR cases resulting from pharmacological treatment. Genomic analyses could eventually identify most genetic variants that predispose to ADRs, enabling a priori detection of such variants with high throughput DNA tests.

Aflatoxins produced by Aspergillus nomius ASR3, a pathogen isolated from the leaf-cutter ant Atta sexdens rubropilosa

Directory of Open Access Journals (Sweden)

Eduardo Afonso da Silva-Junior

Full Text Available ABSTRACT Aspergillus spp. cause economic impacts due to aflatoxins production. Although the toxicity of aflatoxins is already known, little information about their ecological roles is available. Here we investigated the compounds produced by Aspergillus nomius ASR3 directly from a dead leaf-cutter queen ant Atta sexdens rubropilosa and the fungal axenic culture. Chemical analyses were carried out by high-resolution mass spectrometry and tandem mass spectrometry techniques. Aflatoxins B1 and G1 were detected in both the axenic culture and in the dead leaf-cutter queen ant. The presence of these mycotoxins in the dead leaf-cutter queen ant suggests that these compounds can be related to the insect pathogenicity of A. nomius against A. sexdens rubropilosa.

Selective C(sp3)−H aerobic oxidation enabled by decatungstate photocatalysis in flow

NARCIS (Netherlands)

Laudadio, G.; Govaerts, S.; Wang, Y.; Ravelli, D.; Koolman, H.; Fagnoni, M.; Djuric, S.; Noel, T.

2018-01-01

A mild and selective C(sp3)−H aerobic oxidation enabled by decatungstate photocatalysis has been developed. The reaction can be significantly improved in a microflow reactor enabling the safe use of oxygen and enhanced irradiation of the reaction mixture. Our method allows for the oxidation of both

Ternary CaCu4P2-type pnictides AAg4Pn2 (A=Sr, Eu; Pn=As, Sb)

International Nuclear Information System (INIS)

Stoyko, Stanislav S.; Khatun, Mansura; Scott Mullen, C.; Mar, Arthur

2012-01-01

Four ternary pnictides AAg 4 Pn 2 (A=Sr, Eu; Pn=As, Sb) were prepared by reactions of the elements at 850 °C and their crystal structures were determined from single-crystal X-ray diffraction studies. These silver-containing pnictides AAg 4 Pn 2 adopt the trigonal CaCu 4 P 2 -type structure (Pearson symbol hR21, space group R3-bar m, Z=3; a=4.5555(6) Å, c=24.041(3) Å for SrAg 4 As 2 ; a=4.5352(2) Å, c=23.7221(11) Å for EuAg 4 As 2 ; a=4.7404(4) Å, c=25.029(2) Å for SrAg 4 Sb 2 ; a=4.7239(3) Å, c=24.689(2) Å for EuAg 4 Sb 2 ), which can be derived from the trigonal CaAl 2 Si 2 -type structure of the isoelectronic zinc-containing pnictides AZn 2 Pn 2 by insertion of additional Ag atoms into trigonal planar sites within [M 2 Pn 2 ] 2− slabs built up of edge-sharing tetrahedra. Band structure calculations on SrAg 4 As 2 and SrAg 4 Sb 2 revealed that these charge-balanced Zintl phases actually exhibit no gap at the Fermi level and are predicted to be semimetals. - Graphical abstract: SrAg 4 As 2 and related pnictides adopt a CaCu 4 P 2 -type structure in which additional Ag atoms enter trigonal planar sites within slabs built from edge-sharing tetrahedra. Highlights: ► AAg 4 Pn 2 are the first Ag-containing members of the CaCu 4 P 2 -type structure. ► Ag atoms are stuffed in trigonal planar sites within CaAl 2 Si 2 -type slabs. ► Ag–Ag bonding develops through attractive d 10 –d 10 interactions.

The influence of authentic scientific research experiences on teachers' conceptions of the nature of science (NOS) and their NOS teaching practices

Science.gov (United States)

Moriarty, Meghan A.

This study explored the influence of teachers' authentic scientific research experiences (ASREs) on teachers' conceptions of the nature of science (NOS) and teachers' NOS instruction. Twelve high school biology teachers participated in this study. Six of the participants had authentic scientific research experience (ASRE) and six had not participated in authentic scientific research. Data included background surveys, modified Views of the Nature of Science (VNOS) questionnaires, interviews, and teaching observations. Data was coded based on the eight NOS understandings outlined in 2013 in the Next Generation Science Standards (NGSS). Evidence from this study indicates participating in authentic scientific research as a member of a scientific community has dual benefits of enabling high school science teachers with informed understandings of the NOS and positioning them to teach with the NOS. However, these benefits do not always result from an ASRE. If the nature of the ASRE is limited, then it may limit teachers' NOS understandings and their NOS teaching practices. The results of this study suggest that participation in ASREs may be one way to improve teachers' NOS understandings and teaching practices if the experiences themselves offer a comprehensive view of the NOS. Because ASREs and other science learning experiences do not always offer such experiences, pre-service teacher education and professional development opportunities may engage science teachers in two ways: (1) becoming part of a scientific community may enable them to teach with NOS and (2) being reflective about what being a scientist means may improve teachers' NOS understandings and better position them to teach about NOS.. Keywords: nature of science, authentic scientific research experiences, Next Generation Science Standards, teaching about NOS, teaching with NOS.

Asynchronous teaching of psychomotor skills through VR annotations: evaluation in digital rectal examination.

Science.gov (United States)

Rissanen, Mikko J; Kume, Naoto; Kuroda, Yoshihiro; Kuroda, Tomohiro; Yoshimura, Koji; Yoshihara, Hiroyuki

2008-01-01

Many VR technology based training systems use expert's motion data as the training aid, but would not provide any short-cut to teaching medical skills that do not depend on exact motions. Earlier we presented Annotated Simulation Records (ASRs), which can be used to encapsulate experts' insight on psychomotor skills. Annotations made to behavioural parameters in training simulators enable asynchronous teaching instead of just motion training in a proactive way to the learner. We evaluated ASRs for asynchronous teaching of Digital Rectal Examination (DRE) with 3 urologists and 8 medical students. The ASRs were found more effective than motion-based training with verbal feedback.

Extent of reaction in open systems with multiple heterogeneous reactions

Science.gov (United States)

Friedly, John C.

1991-01-01

The familiar batch concept of extent of reaction is reexamined for systems of reactions occurring in open systems. Because species concentrations change as a result of transport processes as well as reactions in open systems, the extent of reaction has been less useful in practice in these applications. It is shown that by defining the extent of the equivalent batch reaction and a second contribution to the extent of reaction due to the transport processes, it is possible to treat the description of the dynamics of flow through porous media accompanied by many chemical reactions in a uniform, concise manner. This approach tends to isolate the reaction terms among themselves and away from the model partial differential equations, thereby enabling treatment of large problems involving both equilibrium and kinetically controlled reactions. Implications on the number of coupled partial differential equations necessary to be solved and on numerical algorithms for solving such problems are discussed. Examples provided illustrate the theory applied to solute transport in groundwater flow.

Alteration of alkali reactive aggregates autoclaved in different alkali solutions and application to alkali-aggregate reaction in concrete (II) expansion and microstructure of concrete microbar

International Nuclear Information System (INIS)

Lu Duyou; Mei Laibao; Xu Zhongzi; Tang Mingshu; Mo Xiangyin; Fournier, Benoit

2006-01-01

The effect of the type of alkalis on the expansion behavior of concrete microbars containing typical aggregate with alkali-silica reactivity and alkali-carbonate reactivity was studied. The results verified that: (1) at the same molar concentration, sodium has the strongest contribution to expansion due to both ASR and ACR, followed by potassium and lithium; (2) sufficient LiOH can completely suppress expansion due to ASR whereas it can induce expansion due to ACR. It is possible to use the duplex effect of LiOH on ASR and ACR to clarify the ACR contribution when ASR and ACR may coexist. It has been shown that a small amount of dolomite in the fine-grained siliceous Spratt limestone, which has always been used as a reference aggregate for high alkali-silica reactivity, might dedolomitize in alkaline environment and contribute to the expansion. That is to say, Spratt limestone may exhibit both alkali-silica and alkali-carbonate reactivity, although alkali-silica reactivity is predominant. Microstructural study suggested that the mechanism in which lithium controls ASR expansion is mainly due to the favorable formation of lithium-containing less-expansive product around aggregate particles and the protection of the reactive aggregate from further attack by alkalis by the lithium-containing product layer

Pollution control and metal resource recovery for low grade automobile shredder residue: a mechanism, bioavailability and risk assessment.

Science.gov (United States)

Singh, Jiwan; Lee, Byeong-Kyu

2015-04-01

Automobile shredder residue (ASR) is considered as hazardous waste in Japan and European countries due to presence of heavy metals. This study was carried on the extraction characteristics of heavy metals (Mn, Fe, Ni, and Cr) from automobile shredder residue (ASR). The effects of pH, temperature, particle size, and liquid/solid ratio (L/S) on the extraction of heavy metals were investigated. The recovery rate of Mn, Fe, Ni, and Cr increased with increasing extraction temperature and L/S ratio. The lowest pH 2, the highest L/S ratio, and the smallest particle size showed the highest recovery of heavy metals from ASR. The highest recovery rates were in the following order: Mn > Ni > Cr > Fe. Reduction of mobility factor for the heavy metals was observed in all the size fractions after the recovery. The results of the kinetic analysis for various experimental conditions supported that the reaction rate of the recovery process followed a second order reaction model (R(2) ⩾ 0.95). The high availability of water-soluble fractions of Mn, Fe, Ni, and Cr from the low grade ASR could be potential hazards to the environment. Bioavailability and toxicity risk of heavy metals reduced significantly with pH 2 of distilled water. However, water is a cost-effective extracting agent for the recovery of heavy metals and it could be useful for reducing the toxicity of ASR. Copyright © 2015 Elsevier Ltd. All rights reserved.

Characterizing the Nano and Micro Structure of Concrete toImprove its Durability

Energy Technology Data Exchange (ETDEWEB)

Monteiro, P.J.M.; Kirchheim, A.P.; Chae, S.; Fischer, Peter; MacDowell, Alastair; Schaible, Eirc; Wenk, H.R.; Macdowell, Alastair A.

2009-01-13

New and advanced methodologies have been developed to characterize the nano and microstructure of cement paste and concrete exposed to aggressive environments. High resolution full-field soft X-ray imaging in the water window is providing new insight on the nano scale of the cement hydration process, which leads to a nano-optimization of cement-based systems. Hard X-ray microtomography images of ice inside cement paste and cracking caused by the alkali?silica reaction (ASR) enables three-dimensional structural identification. The potential of neutron diffraction to determine reactive aggregates by measuring their residual strains and preferred orientation is studied. Results of experiments using these tools are shown on this paper.

The Symmetry of Adverse Local Tissue Reactions in Patients with Bilateral Simultaneous and Sequential ASR Hip Replacement.

Science.gov (United States)

Madanat, Rami; Hussey, Daniel K; Donahue, Gabrielle S; Potter, Hollis G; Wallace, Robert; Bragdon, Charles R; Muratoglu, Orhun K; Malchau, Henrik

2015-10-01

The purpose of this study was to evaluate whether patients with bilateral metal-on-metal (MoM) hip replacements have symmetric adverse local tissue reactions (ALTRs) at follow-up. An MRI of both hips was performed at a mean time of six years after surgery in 43 patients. The prevalence and severity of ALTRs were found to be similar in simultaneous hips but differences were observed in sequential hips. The order and timing of sequential hip arthroplasties did not affect the severity of ALTRs. Thus, in addition to metal ion exposure from an earlier MoM implant other factors may also play a role in the progression of ALTRs. Bilateral implants should be given special consideration in risk stratification algorithms for management of patients with MoM hip arthroplasty. Copyright © 2015 Elsevier Inc. All rights reserved.

Assessment of the Alteration of Granitic Rocks and its Influence on Alkalis Release

Science.gov (United States)

Ferraz, Ana Rita; Fernandes, Isabel; Soares, Dora; Santos Silva, António; Quinta-Ferreira, Mário

2017-12-01

Several concrete structures had shown signs of degradation some years after construction due to internal expansive reactions. Among these reactions there are the alkali-aggregate reactions (AAR) that occur between the aggregates and the concrete interstitial fluids which can be divided in two types: the alkali-silica reaction (ASR) and alkali-carbonate reaction (ACR). The more common is the ASR which occurs when certain types of reactive silica are present in the aggregates. In consequence, an expansive alkali-silica gel is formed leading to the concrete cracking and degradation. Granites are rocks composed essentially of quartz, micas and feldspars, the latter being the minerals which contain more alkalis in their structure and thus, able to release them in conditions of high alkalinity. Although these aggregates are of slow reaction, some structures where they were applied show evidence of deterioration due to ASR some years or decades after the construction. In the present work, the possible contribution of granitic aggregates to the interstitial fluids of concrete by alkalis release was studied by performing chemical attack with NaOH and KOH solutions. Due to the heterogeneity of the quarries in what concerns the degree of alteration and/or fracturing, rock samples with different alteration were analysed. The alteration degree was characterized both under optical microscope and image analysis and compared with the results obtained from the chemical tests. It was concluded that natural alteration reduces dramatically the releasable alkalis available in the rocks.

Ion-Molecule Reaction Dynamics.

Science.gov (United States)

Meyer, Jennifer; Wester, Roland

2017-05-05

We review the recent advances in the investigation of the dynamics of ion-molecule reactions. During the past decade, the combination of single-collision experiments in crossed ion and neutral beams with the velocity map ion imaging detection technique has enabled a wealth of studies on ion-molecule reactions. These methods, in combination with chemical dynamics simulations, have uncovered new and unexpected reaction mechanisms, such as the roundabout mechanism and the subtle influence of the leaving group in anion-molecule nucleophilic substitution reactions. For this important class of reactions, as well as for many fundamental cation-molecule reactions, the information obtained with crossed-beam imaging is discussed. The first steps toward understanding micro-solvation of ion-molecule reaction dynamics are presented. We conclude with the presentation of several interesting directions for future research.

Oxidative C-H/C-H Cross-Coupling Reactions between N-Acylanilines and Benzamides Enabled by a Cp*-Free RhCl3/TFA Catalytic System.

Science.gov (United States)

You, Jingsong; Shi, Yang; Zhang, Luoqiang; Lan, Jingbo; Zhang, Min; Zhou, Fulin; Wei, Wenlong

2018-06-03

Using the dual chelation-assisted strategy, a completely regiocontrolled oxidative C-H/C-H cross-coupling reaction between an N-acylaniline and a benzamide has been accomplished for the first time, which enables a step-economical and highly efficient pathway to 2-amino-2'-carboxybiaryl scaffolds from readily available substrates. A Cp*-free RhCl3/TFA catalytic system has been developed to replace the generally used [Cp*RhCl2]2/AgSbF6 (Cp* = pentamethyl cyclopentadienyl) in oxidative C-H/C-H cross-coupling reactions between two (hetero)arenes. The RhCl3/TFA system avoids the use of expensive Cp* ligand and AgSbF6. As an illustrative example, the protocol developed herein greatly streamlines access to naturally occurring benzo[c]phenanthridine alkaloid oxynitidine in an excellent overall yield. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Selective C(sp3 )-H Aerobic Oxidation Enabled by Decatungstate Photocatalysis in Flow.

Science.gov (United States)

Laudadio, Gabriele; Govaerts, Sebastian; Wang, Ying; Ravelli, Davide; Koolman, Hannes F; Fagnoni, Maurizio; Djuric, Stevan W; Noël, Timothy

2018-04-03

A mild and selective C(sp 3 )-H aerobic oxidation enabled by decatungstate photocatalysis has been developed. The reaction can be significantly improved in a microflow reactor enabling the safe use of oxygen and enhanced irradiation of the reaction mixture. Our method allows for the oxidation of both activated and unactivated C-H bonds (30 examples). The ability to selectively oxidize natural scaffolds, such as (-)-ambroxide, pregnenolone acetate, (+)-sclareolide, and artemisinin, exemplifies the utility of this new method. © 2018 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

The effect of covering head on the hypocalcemia caused by phototherapy in the icteric preterm infants in the Vali-e-Asr hospital in 2015; A Randomized Controlled Trial

OpenAIRE

Zangoei Dovvom Samane; Mottaghi Minoo

2016-01-01

There are several methods to reduce serum bilirubin in neonatal jaundice that the most common of them is phototherapy and this method will cause some side effects which one of them is hypocalcemia that is occurred due to the decreased serum concentration of melatonin. This study was conducted aims to evaluate the effect of covering head on hypocalcemia caused by the phototherapy in the icteric infants in the Vali-e-Asr Hospital in 2015. in this clinical trial study, 60 preterm inf...

Characterizing the nano and micro structure of concrete to improve its durability

Energy Technology Data Exchange (ETDEWEB)

Monteiro, P.J.M.; Kirchheim, A.P.; Chae, S.; Fischer, P.; MacDowell, A.A.; Schaible, E.; Wenk, H.R.

2008-10-22

New and advanced methodologies have been developed to characterize the nano and microstructure of cement paste and concrete exposed to aggressive environments. High resolution full-field soft X-ray imaging in the water window is providing new insight on the nano scale of the cement hydration process, which leads to a nano-optimization of cement-based systems. Hard X-ray microtomography images on ice inside cement paste and cracking caused by the alkali-silica reaction (ASR) enables three-dimensional structural identification. The potential of neutron diffraction to determine reactive aggregates by measuring their residual strains and preferred orientation is studied. Results of experiments using these tools will be shown on this paper.

Characterizing the nano and micro structure of concrete to improve its durability

KAUST Repository

Monteiro, P.J.M.

2009-09-01

New and advanced methodologies have been developed to characterize the nano and microstructure of cement paste and concrete exposed to aggressive environments. High resolution full-field soft X-ray imaging in the water window is providing new insight on the nano scale of the cement hydration process, which leads to a nano-optimization of cement-based systems. Hard X-ray microtomography images of ice inside cement paste and cracking caused by the alkali-silica reaction (ASR) enables three-dimensional structural identification. The potential of neutron diffraction to determine reactive aggregates by measuring their residual strains and preferred orientation is studied. Results of experiments using these tools are shown on this paper. © 2009 Elsevier Ltd. All rights reserved.

Characterizing the nano and micro structure of concrete to improve its durability

KAUST Repository

Monteiro, P.J.M.; Kirchheim, A.P.; Chae, S.; Fischer, P.; MacDowell, A.A.; Schaible, E.; Wenk, H.R.

2009-01-01

New and advanced methodologies have been developed to characterize the nano and microstructure of cement paste and concrete exposed to aggressive environments. High resolution full-field soft X-ray imaging in the water window is providing new insight on the nano scale of the cement hydration process, which leads to a nano-optimization of cement-based systems. Hard X-ray microtomography images of ice inside cement paste and cracking caused by the alkali-silica reaction (ASR) enables three-dimensional structural identification. The potential of neutron diffraction to determine reactive aggregates by measuring their residual strains and preferred orientation is studied. Results of experiments using these tools are shown on this paper. © 2009 Elsevier Ltd. All rights reserved.

Praseodymium Cuprate Thin Film Cathodes for Intermediate Temperature Solid Oxide Fuel Cells: Roles of Doping, Orientation, and Crystal Structure.

Science.gov (United States)

Mukherjee, Kunal; Hayamizu, Yoshiaki; Kim, Chang Sub; Kolchina, Liudmila M; Mazo, Galina N; Istomin, Sergey Ya; Bishop, Sean R; Tuller, Harry L

2016-12-21

Highly textured thin films of undoped, Ce-doped, and Sr-doped Pr 2 CuO 4 were synthesized on single crystal YSZ substrates using pulsed laser deposition to investigate their area-specific resistance (ASR) as cathodes in solid-oxide fuel cells (SOFCs). The effects of T' and T* crystal structures, donor and acceptor doping, and a-axis and c-axis orientation on ASR were systematically studied using electrochemical impedance spectroscopy on half cells. The addition of both Ce and Sr dopants resulted in improvements in ASR in c-axis oriented films, as did the T* crystal structure with the a-axis orientation. Pr 1.6 Sr 0.4 CuO 4 is identified as a potential cathode material with nearly an order of magnitude faster oxygen reduction reaction kinetics at 600 °C compared to thin films of the commonly studied cathode material La 0.6 Sr 0.4 Co 0.8 Fe 0.2 O 3-δ . Orientation control of the cuprate films on YSZ was achieved using seed layers, and the anisotropy in the ASR was found to be less than an order of magnitude. The rare-earth doped cuprate was found to be a versatile system for study of relationships between bulk properties and the oxygen reduction reaction, critical for improving SOFC performance.

Content Validity of the ADHD Rating Scale (ADHD RS-IV and Adult ADHD Self-Report Scale (ASRS in Phenylketonuria

Directory of Open Access Journals (Sweden)

Kathleen W. Wyrwich PhD

2016-03-01

Full Text Available The ADHD Rating Scale (ADHD RS-IV; parent report and Adult ADHD Self-Rating Scale (ASRS; self-report are validated instruments for measuring symptoms of attention-deficit/hyperactivity disorder (ADHD. The objectives of this study were to elicit descriptions of phenylketonuria (PKU symptoms and assess content validity of these instruments in PKU. Parents (N = 15 of children with PKU (≥8 years old and adults with PKU (N=13 described PKU-related symptoms and commented on the scale’s clarity, comprehensiveness, and relevance to their experience with PKU. Most of the adults (84.6% and all of the children were on a phenylalanine-restricted diet, according to respondent report. The inattentiveness symptoms reported by participants mapped to the inattentive items of the questionnaires. Most participants felt the inattentive items were clear and relevant to their experience. Despite study design limitations, these results demonstrate the relevance of assessing inattentiveness in PKU, and both instruments achieved content validity for inattentive subscale items.

Mining chemical reactions using neighborhood behavior and condensed graphs of reactions approaches.

Science.gov (United States)

de Luca, Aurélie; Horvath, Dragos; Marcou, Gilles; Solov'ev, Vitaly; Varnek, Alexandre

2012-09-24

This work addresses the problem of similarity search and classification of chemical reactions using Neighborhood Behavior (NB) and Condensed Graphs of Reaction (CGR) approaches. The CGR formalism represents chemical reactions as a classical molecular graph with dynamic bonds, enabling descriptor calculations on this graph. Different types of the ISIDA fragment descriptors generated for CGRs in combination with two metrics--Tanimoto and Euclidean--were considered as chemical spaces, to serve for reaction dissimilarity scoring. The NB method has been used to select an optimal combination of descriptors which distinguish different types of chemical reactions in a database containing 8544 reactions of 9 classes. Relevance of NB analysis has been validated in generic (multiclass) similarity search and in clustering with Self-Organizing Maps (SOM). NB-compliant sets of descriptors were shown to display enhanced mapping propensities, allowing the construction of better Self-Organizing Maps and similarity searches (NB and classical similarity search criteria--AUC ROC--correlate at a level of 0.7). The analysis of the SOM clusters proved chemically meaningful CGR substructures representing specific reaction signatures.

Chemical tailoring of teicoplanin with site-selective reactions.

Science.gov (United States)

Pathak, Tejas P; Miller, Scott J

2013-06-05

Semisynthesis of natural product derivatives combines the power of fermentation with orthogonal chemical reactions. Yet, chemical modification of complex structures represents an unmet challenge, as poor selectivity often undermines efficiency. The complex antibiotic teicoplanin eradicates bacterial infections. However, as resistance emerges, the demand for improved analogues grows. We have discovered chemical reactions that achieve site-selective alteration of teicoplanin. Utilizing peptide-based additives that alter reaction selectivities, certain bromo-teicoplanins are accessible. These new compounds are also scaffolds for selective cross-coupling reactions, enabling further molecular diversification. These studies enable two-step access to glycopeptide analogues not available through either biosynthesis or rapid total chemical synthesis alone. The new compounds exhibit a spectrum of activities, revealing that selective chemical alteration of teicoplanin may lead to analogues with attenuated or enhanced antibacterial properties, in particular against vancomycin- and teicoplanin-resistant strains.

Barriers affecting successful technology enablement of supply chain: An Indian perspective

Science.gov (United States)

Arora, R.; Haleem, A.; Farooquie, J. A.

2018-03-01

In order to compete, organizations need to focus on improving supply chain and technology acts as a major enabler. Technology enablement of supply chain has not always been successful and has been examined by many researchers. The purpose of this paper is to do a systematic literature review of technology enabled supply chain from a strategic viewpoint. The literature is examined from two perspectives. Firstly, it studies the growing interest in technology-enabled supply chain in India. Secondly, it studies barriers affecting technology enablement of supply chain. The literature review identifies that technology enabled supply chain helps in improving performance via effective decision making, monitoring entire supply chain, faster reaction to customer service problems, etc. The research has emphasized the importance of 12 barriers affecting technology enablement. This research will help as a guide for practitioners in order to successfully implement technology and fills the gap in existing literature by highlighting and consolidating the significant research work done in past.

Investigation of transition metal-catalyzed nitrene transfer reactions in water.

Science.gov (United States)

Alderson, Juliet M; Corbin, Joshua R; Schomaker, Jennifer M

2018-04-11

Transition metal-catalyzed nitrene transfer is a powerful method for incorporating new CN bonds into relatively unfunctionalized scaffolds. In this communication, we report the first examples of site- and chemoselective CH bond amination reactions in aqueous media. The unexpected ability to employ water as the solvent in these reactions is advantageous in that it eliminates toxic solvent use and enables reactions to be run at increased concentrations with lower oxidant loadings. Using water as the reaction medium has potential to expand the scope of nitrene transfer to encompass a variety of biomolecules and highly polar substrates, as well as enable pH control over the site-selectivity of CH bond amination. Copyright © 2018 Elsevier Ltd. All rights reserved.

Alkali-aggregate reactivity (AAR) facts book.

Science.gov (United States)

2013-03-01

This document provides detailed information on alkali-aggregate reactivity (AAR). It primarily discusses alkali-silica reaction (ASR), covering the chemistry, symptoms, test methods, prevention, specifications, diagnosis and prognosis, and mitigation...

Separation of uranium isotopes by accelerated isotope exchange reactions

International Nuclear Information System (INIS)

Seko, M.; Miyake, T.; Inada, K.; Ochi, K.; Sakamoto, T.

1977-01-01

A novel catalyst for isotope exchange reaction between uranium(IV) and uranium(VI) compounds enables acceleration of the reaction rate as much as 3000 times to make industrial separation of uranium isotopes economically possible

Dual Ligand-Enabled Nondirected C-H Olefination of Arenes.

Science.gov (United States)

Chen, Hao; Wedi, Philipp; Meyer, Tim; Tavakoli, Ghazal; van Gemmeren, Manuel

2018-02-23

The application of the Pd-catalyzed oxidative C-H olefination of arenes, also known as the Fujiwara-Moritani reaction, has traditionally been limited by the requirement for directing groups on the substrate or the need to use the arene in large excess, typically as a (co)solvent. Herein the development of a catalytic system is described that, through the combined action of two complementary ligands, makes it possible to use directing-group-free arenes as limiting reagents for the first time. The reactions proceed under a combination of both steric and electronic control and enable the application of this powerful reaction to valuable arenes, which cannot be utilized in excess. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Alkali-silica reactivity of expanded glass granules in structure of lightweight concrete

International Nuclear Information System (INIS)

Bumanis, G; Bajare, D; Korjakins, A; Locs, J

2013-01-01

Main component in the lightweight concrete, which provides its properties, is aggregate. A lot of investigations on alkali silica reaction (ASR) between cement and lightweight aggregates have been done with their results published in the academic literature. Whereas expanded glass granules, which is relatively new product in the market of building materials, has not been a frequent research object. Therefore lightweight granules made from waste glass and eight types of cement with different chemical and mineralogical composition were examined in this research. Expanded glass granules used in this research is commercially available material produced by Penostek. Lightweight concrete mixtures were prepared by using commercial chemical additives to improve workability of concrete. The aim of the study is to identify effect of cement composition to the ASR reaction which occurs between expanded glass granules and binder. Expanded glass granules mechanical and physical properties were determined. In addition, properties of fresh and hardened concrete were determined. The ASR test was processed according to RILEM AAR-2 testing recommendation. Tests with scanning electron microscope and microstructural investigations were performed for expanded glass granules and hardened concrete specimens before and after exposing them in alkali solution

Perinatal risk factors for neonatal asphyxia in Vali-e-Asr hospital, Tehran-Iran

Directory of Open Access Journals (Sweden)

Fatemeh Nayeri

2012-01-01

Full Text Available Background: Asphyxia is a medical condition in which placental or pulmonary gas exchange is impaired or they cease all together, typically producing a combination of progressive hypoxemia and hypercapnea. Objective: In addition to regional differences in its etiology; it is important to know its risk factors. Materials and Methods: This is a case-control study, all neonates born from May 2002 to September 2005 in Vali-e-Asr Hospital were studied. 9488 newborns were born of which 6091 of the live patients were hospitalized in NICU. 546 newborns were studied as case and control group. 260 neonates (48% were female and 286 neonates (52% were male. Among the neonates who were admitted, 182 of them were diagnosed with asphyxia and twice of them (364 newborns were selected as a control group. The variables consist of; gestational age, type of delivery, birth weight, prenatal care, pregnancy and peripartum complications and neonatal disorders. Results: Our studies showed that 35 (19.2% patients had mild asphyxia, 107 (58.8% had moderate asphyxia and 40 (22% were diagnosed as severe asphyxia. Mean maternal age was 34.23±4.29yr; (range: 23-38 yr; and mean of parity was 2±1.2; (range: 1-8. Risk factors in our study included emergent Caesarian Section, preterm labor (<37w, low birth weight (<2500g, 5 minute Apgar (less than 6, need for resuscitation, nuchal cord, impaired Biophysical Profile, neonatal anemia, and maternal infertility. Conclusion: All risk factors listed above play a role in asphyxia. The majority of these factors are avoidable by means of good perinatal care

Deep eutectic solvents as performance additives in biphasic reactions

NARCIS (Netherlands)

Lan, Dongming; Wang, Xuping; Zhou, Pengfei; Hollmann, F.; Wang, Yonghua

2017-01-01

Deep eutectic solvents act as surfactants in biphasic (hydrophobic/aqueous) reaction mixtures enabling higher interfacial surface areas at lower mechanical stress as compared to simple emulsions. Exploiting this effect the rate of a chemoenzymatic epoxidation reaction was increased more than

Neutron-induced cross sections of actinides via the surrogate-reaction method

Directory of Open Access Journals (Sweden)

Tveten G. M.

2013-03-01

Full Text Available The surrogate-reaction method is an indirect way of determining cross sections for reactions that proceed through a compound nucleus. This technique may enable neutron-induced cross sections to be extracted for short-lived nuclei that otherwise cannot be measured. However, the validity of the surrogate method for extracting capture cross sections has to be investigated. In this work we study the reactions 238U(d,p239U, 238U(3He,t238Np, 238U(3He,4He237U as surrogates for neutroninduced reactions on 238U, 237Np and 236U, respectively, for which good quality data exist. The experimental set-up enabled the measurement of fission and gamma-decay probabilities. First results are presented and discussed.

Automatic Speech Acquisition and Recognition for Spacesuit Audio Systems

Science.gov (United States)

Ye, Sherry

2015-01-01

NASA has a widely recognized but unmet need for novel human-machine interface technologies that can facilitate communication during astronaut extravehicular activities (EVAs), when loud noises and strong reverberations inside spacesuits make communication challenging. WeVoice, Inc., has developed a multichannel signal-processing method for speech acquisition in noisy and reverberant environments that enables automatic speech recognition (ASR) technology inside spacesuits. The technology reduces noise by exploiting differences between the statistical nature of signals (i.e., speech) and noise that exists in the spatial and temporal domains. As a result, ASR accuracy can be improved to the level at which crewmembers will find the speech interface useful. System components and features include beam forming/multichannel noise reduction, single-channel noise reduction, speech feature extraction, feature transformation and normalization, feature compression, and ASR decoding. Arithmetic complexity models were developed and will help designers of real-time ASR systems select proper tasks when confronted with constraints in computational resources. In Phase I of the project, WeVoice validated the technology. The company further refined the technology in Phase II and developed a prototype for testing and use by suited astronauts.

Technological evaluation of gesture and speech interfaces for enabling dismounted soldier-robot dialogue

Science.gov (United States)

Kattoju, Ravi Kiran; Barber, Daniel J.; Abich, Julian; Harris, Jonathan

2016-05-01

With increasing necessity for intuitive Soldier-robot communication in military operations and advancements in interactive technologies, autonomous robots have transitioned from assistance tools to functional and operational teammates able to service an array of military operations. Despite improvements in gesture and speech recognition technologies, their effectiveness in supporting Soldier-robot communication is still uncertain. The purpose of the present study was to evaluate the performance of gesture and speech interface technologies to facilitate Soldier-robot communication during a spatial-navigation task with an autonomous robot. Gesture and speech semantically based spatial-navigation commands leveraged existing lexicons for visual and verbal communication from the U.S Army field manual for visual signaling and a previously established Squad Level Vocabulary (SLV). Speech commands were recorded by a Lapel microphone and Microsoft Kinect, and classified by commercial off-the-shelf automatic speech recognition (ASR) software. Visual signals were captured and classified using a custom wireless gesture glove and software. Participants in the experiment commanded a robot to complete a simulated ISR mission in a scaled down urban scenario by delivering a sequence of gesture and speech commands, both individually and simultaneously, to the robot. Performance and reliability of gesture and speech hardware interfaces and recognition tools were analyzed and reported. Analysis of experimental results demonstrated the employed gesture technology has significant potential for enabling bidirectional Soldier-robot team dialogue based on the high classification accuracy and minimal training required to perform gesture commands.

The possibilities of magnetic resonance imaging in the diagnostics of complications after metal-on-metal hip arthroplasty

Directory of Open Access Journals (Sweden)

A. A. Vergay

2013-01-01

Full Text Available Objective: to find adverse periprosthetic local tissue reactions after metal-on-metal hip arthroplasty with ASR XL heads. Material and methods: 119 patients with 134 ASR XL head - Corail prostheses were treated in 2007-2009. The results were studied in 94 cases (105 prostheses - 84%. Average follow-up time consisted 62 ± 3 months. MRI was performed in 12 patients (13 hips who had clinical nonsatisfaction. Obtained data were compared with 21 MRI (24 hips of controlled group with good and perfect clinical results. Results. We found variations of normal periprosthetic tissue condition. Adverse reactions were identified in 10 cases. To improve the quality of pictures we developed special MRI adjustments and regimes of work. Conclusion: MRI diagnostics is indicated for the patients with metal-on-metal total hip arthroplasty in order to identify adverse local tissue reactions. The improvement of picture quality needs special adjustment of MRI equipment.

Evaluation of concrete structures affected by alkali-silica reaction and delayed ettringite formation - part 2.

Science.gov (United States)

2012-12-01

This report details the results of a comprehensive research project aimed at evaluating the potential use of : non-destructive testing (NDT) to assess structures affected by ASR and/or DEF. This project was a : collaborative effort between the Univer...

Evaluation of Drug Resistance Pattern of Escherichia coli Strains Isolated from Fasa Vali-e-Asr Hospital Patients

Directory of Open Access Journals (Sweden)

Sara Abdollahi Kheirabadi

2013-03-01

Full Text Available Background & Objective: Antibiotic resistance due to the widespread use of antibiotics is one of the major causes of failure in antibiotic treatment. The aim of this study was to investigate the rates of antibiotic resistance among Escherichia coli isolates from Fasa Vali-e-Asr Hospital patients.   Materials & Methods : In total, 234 isolates of Escherichia coli strains, obtained from inpatients and outpatients, were studied. The identity of the isolated strains was confirmed by bacteriologic methods. T he drug sensitivity definition test to 17 antibiotics was done via the disk diffusion antibiogram method. Minimum inhibitory concentration (MIC of the resistant isolates to Ciprofloxacin and Imipenem was measured using the s erial dilution method according to the CLSI standards.   Results : The resistance rates of the isolates to Ciprofloxacin and Imipenem by disk diffusion antibiogram method were 22.65% and 11.11% and by serial dilution method were 19.66 % and 9.4% of all the isolates, respectively.   Conclusion: These results show higher resistance of Escherichia coli to Ciprofloxacin and Imipenem as compared to the results in previous studies. Further investigation will shed light on how to more effectively battle antibiotic resistance of virulent microorganisms.

GRIZZLY Model of Multi-Reactive Species Diffusion, Moisture/Heat Transfer and Alkali-Silica Reaction for Simulating Concrete Aging and Degradation

Energy Technology Data Exchange (ETDEWEB)

Huang, Hai [Idaho National Lab. (INL), Idaho Falls, ID (United States); Spencer, Benjamin W. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Cai, Guowei [Vanderbilt Univ., Nashville, TN (United States)

2015-09-01

Concrete is widely used in the construction of nuclear facilities because of its structural strength and its ability to shield radiation. The use of concrete in nuclear power plants for containment and shielding of radiation and radioactive materials has made its performance crucial for the safe operation of the facility. As such, when life extension is considered for nuclear power plants, it is critical to have accurate and reliable predictive tools to address concerns related to various aging processes of concrete structures and the capacity of structures subjected to age-related degradation. The goal of this report is to document the progress of the development and implementation of a fully coupled thermo-hydro-mechanical-chemical model in GRIZZLY code with the ultimate goal to reliably simulate and predict long-term performance and response of aged NPP concrete structures subjected to a number of aging mechanisms including external chemical attacks and volume-changing chemical reactions within concrete structures induced by alkali-silica reactions and long-term exposure to irradiation. Based on a number of survey reports of concrete aging mechanisms relevant to nuclear power plants and recommendations from researchers in concrete community, we’ve implemented three modules during FY15 in GRIZZLY code, (1) multi-species reactive diffusion model within cement materials; (2) coupled moisture and heat transfer model in concrete; and (3) anisotropic, stress-dependent, alkali-silica reaction induced swelling model. The multi-species reactive diffusion model was implemented with the objective to model aging of concrete structures subjected to aggressive external chemical attacks (e.g., chloride attack, sulfate attack, etc.). It considers multiple processes relevant to external chemical attacks such as diffusion of ions in aqueous phase within pore spaces, equilibrium chemical speciation reactions and kinetic mineral dissolution/precipitation. The moisture

Neutron-induced cross sections of actinides via the surrogate-reaction method

Directory of Open Access Journals (Sweden)

Ducasse Q.

2013-12-01

Full Text Available The surrogate-reaction method is an indirect way of determining cross sections for reactions that proceed through a compound nucleus. This technique may enable neutron-induced cross sections to be extracted for short-lived nuclei that otherwise cannot be measured. However, the validity of the surrogate method has to be investigated. In particular, the absence of a compound nucleus formation and the Jπ dependence of the decay probabilities may question the method. In this work we study the reactions 238U(d,p239U, 238U(3He,t238Np, 238U(3He,4He237U as surrogates for neutron-induced reactions on 238U, 237Np and 236U, respectively, for which good quality data exist. The experimental set-up enabled the measurement of fission and gamma-decay probabilities. The first results are hereby presented.

Cognitive, sensory and physical factors enabling driving safety in older adults.

Science.gov (United States)

Anstey, Kaarin J; Wood, Joanne; Lord, Stephen; Walker, Janine G

2005-01-01

We reviewed literature on cognitive, sensory, motor and physical factors associated with safe driving and crash risk in older adults with the goal of developing a model of factors enabling safe driving behaviour. Thirteen empirical studies reporting associations between cognitive, sensory, motor and physical factors and either self-reported crashes, state crash records or on-road driving measures were identified. Measures of attention, reaction time, memory, executive function, mental status, visual function, and physical function variables were associated with driving outcome measures. Self-monitoring was also identified as a factor that may moderate observed effects by influencing driving behavior. We propose that three enabling factors (cognition, sensory function and physical function/medical conditions) predict driving ability, but that accurate self-monitoring of these enabling factors is required for safe driving behaviour.

Label-assisted mass spectrometry for the acceleration of reaction discovery and optimization

Science.gov (United States)

Cabrera-Pardo, Jaime R.; Chai, David I.; Liu, Song; Mrksich, Milan; Kozmin, Sergey A.

2013-05-01

The identification of new reactions expands our knowledge of chemical reactivity and enables new synthetic applications. Accelerating the pace of this discovery process remains challenging. We describe a highly effective and simple platform for screening a large number of potential chemical reactions in order to discover and optimize previously unknown catalytic transformations, thereby revealing new chemical reactivity. Our strategy is based on labelling one of the reactants with a polyaromatic chemical tag, which selectively undergoes a photoionization/desorption process upon laser irradiation, without the assistance of an external matrix, and enables rapid mass spectrometric detection of any products originating from such labelled reactants in complex reaction mixtures without any chromatographic separation. This method was successfully used for high-throughput discovery and subsequent optimization of two previously unknown benzannulation reactions.

The role of residual cracks on alkali silica reactivity of recycled glass aggregates

DEFF Research Database (Denmark)

Maraghechi, Hamed; Shafaatian, Seyed-Mohammad-Hadi; Fischer, Gregor

2012-01-01

Despite its environmental and economical advantages, crushed recycled glass has limited application as concrete aggregates due to its deleterious alkali-silica reaction. To offer feasible mitigation strategies, the mechanism of ASR should be well understood. Recent research showed that unlike some...

Catalysis in the Service of Green Chemistry: Nobel Prize-Winning Palladium-Catalysed Cross-Couplings, Run in Water at Room Temperature: Heck, Suzuki-Miyaura and Negishi reactions carried out in the absence of organic solvents, enabled by micellar catalysis.

Science.gov (United States)

Lipshutz, Bruce H; Taft, Benjamin R; Abela, Alexander R; Ghorai, Subir; Krasovskiy, Arkady; Duplais, Christophe

2012-04-01

Palladium-catalysed cross-couplings, in particular Heck, Suzuki-Miyaura and Negishi reactions developed over three decades ago, are routinely carried out in organic solvents. However, alternative media are currently of considerable interest given an increasing emphasis on making organic processes 'greener'; for example, by minimising organic waste in the form of organic solvents. Water is the obvious leading candidate in this regard. Hence, this review focuses on the application of micellar catalysis, in which a 'designer' surfactant enables these award-winning coupling reactions to be run in water at room temperature.

A distributed approach to speech resource collection

CSIR Research Space (South Africa)

Molapo, R

2013-12-01

Full Text Available The authors describe the integration of several tools to enable the end-to-end development of an Automatic Speech Recognition system in a typical under-resourced language. The authors analyse the data acquired by each of the tools and develop an ASR...

Driving Chemical Reactions in Plasmonic Nanogaps with Electrohydrodynamic Flow.

Science.gov (United States)

Thrift, William J; Nguyen, Cuong Q; Darvishzadeh-Varcheie, Mahsa; Zare, Siavash; Sharac, Nicholas; Sanderson, Robert N; Dupper, Torin J; Hochbaum, Allon I; Capolino, Filippo; Abdolhosseini Qomi, Mohammad Javad; Ragan, Regina

2017-11-28

Nanoparticles from colloidal solution-with controlled composition, size, and shape-serve as excellent building blocks for plasmonic devices and metasurfaces. However, understanding hierarchical driving forces affecting the geometry of oligomers and interparticle gap spacings is still needed to fabricate high-density architectures over large areas. Here, electrohydrodynamic (EHD) flow is used as a long-range driving force to enable carbodiimide cross-linking between nanospheres and produces oligomers exhibiting sub-nanometer gap spacing over mm 2 areas. Anhydride linkers between nanospheres are observed via surface-enhanced Raman scattering (SERS) spectroscopy. The anhydride linkers are cleavable via nucleophilic substitution and enable placement of nucleophilic molecules in electromagnetic hotspots. Atomistic simulations elucidate that the transient attractive force provided by EHD flow is needed to provide a sufficient residence time for anhydride cross-linking to overcome slow reaction kinetics. This synergistic analysis shows assembly involves an interplay between long-range driving forces increasing nanoparticle-nanoparticle interactions and probability that ligands are in proximity to overcome activation energy barriers associated with short-range chemical reactions. Absorption spectroscopy and electromagnetic full-wave simulations show that variations in nanogap spacing have a greater influence on optical response than variations in close-packed oligomer geometry. The EHD flow-anhydride cross-linking assembly method enables close-packed oligomers with uniform gap spacings that produce uniform SERS enhancement factors. These results demonstrate the efficacy of colloidal driving forces to selectively enable chemical reactions leading to future assembly platforms for large-area nanodevices.

The influence of DOM and microbial processes on arsenic release from karst during ASR operations in the Floridan Aquifer

Science.gov (United States)

Jin, J.; Zimmerman, A. R.

2011-12-01

The mobilization of subsurface As poses a serious threat to human health, particularly in a region such as Florida where population is heavily dependent on highly porous karstic aquifers for drinking water. Injection water used in aquifer storage and recovery (ASR) or aquifer recharge (AR) operations is commonly high in dissolved organic matter (DOM) and OM can also be present in the subsurface carbonate rock. Using batch incubation experiments, this study examined the role of core preservation methods, as well as the influence of labile and more refractory DOM on the mobilization of As from carbonate rock. Incubation experiments used sealed reaction vessels with preserved and homogenized core materials collected via coring the Suwannee Formation in southwest Florida and treatment additions consisting of 1) source water (SW) enriched in sterilized soil DOM, 2) SW enriched in soil DOM and microbes, and 3) SW enriched in sodium acetate. During an initial equilibration phase in native groundwater (NGW) with low dissolved oxygen (DO; Phase 1), we found the greatest As release of the whole incubation. In the beginning of Phase 2 (N2 headspace) in which NGW was replaced with treatment solutions, there was little As release except in the vessel with Na-acetate added, which also had the lowest ORP. At the start of Phase 3, when incubations were exposed to air, most vessels saw more ion (including As) release into solution. Vessel with Na-acetate had less As release in Phase 3 than in Phase 2. During all experimental phases, treatments of DOM or microbe additions had no apparent effect on the amount of As release. The core materials was found contain significant amount of indigenous DOM (about 8 g OC/kg core) which was released during the incubation so DOC concentrations displayed no clear pattern among different treatments. At least three abiotic As mobilization mechanisms may play a role in As released during different stages of the experiment. Desorption of As from iron

Modelling Chemical Reasoning to Predict and Invent Reactions.

Science.gov (United States)

Segler, Marwin H S; Waller, Mark P

2017-05-02

The ability to reason beyond established knowledge allows organic chemists to solve synthetic problems and invent novel transformations. Herein, we propose a model that mimics chemical reasoning, and formalises reaction prediction as finding missing links in a knowledge graph. We have constructed a knowledge graph containing 14.4 million molecules and 8.2 million binary reactions, which represents the bulk of all chemical reactions ever published in the scientific literature. Our model outperforms a rule-based expert system in the reaction prediction task for 180 000 randomly selected binary reactions. The data-driven model generalises even beyond known reaction types, and is thus capable of effectively (re-)discovering novel transformations (even including transition metal-catalysed reactions). Our model enables computers to infer hypotheses about reactivity and reactions by only considering the intrinsic local structure of the graph and because each single reaction prediction is typically achieved in a sub-second time frame, the model can be used as a high-throughput generator of reaction hypotheses for reaction discovery. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Investigation into the Heat of Hydration and Alkali Silica Reactivity of Sustainable Ultrahigh Strength Concrete with Foundry Sand

Directory of Open Access Journals (Sweden)

Federico Aguayo

2017-01-01

Full Text Available This study presents the hydration reactivity and alkali silica reaction (ASR of ultrahigh strength concrete (UHSC that has been made more sustainable by using spent foundry sand. Spent foundry sand not only is sustainable but has supplementary cementitious material (SCM characteristics. Two series of UHSC mixtures were prepared using a nonreactive and reactive sand (in terms of ASR to investigate both the impact of a more reactive aggregate and the use of spent foundry sand. Conduction calorimetry was used to monitor the heat of hydration maintained under isothermal conditions, while ASR was investigated using the accelerated mortar bar test (AMBT. Additionally, the compressive strengths were measured for both series of mixtures at 7, 14, and 28 days to confirm high strength requirements. The compressive strengths ranged from 85 MPa (12,345 psi to 181.78 MPa (26,365 psi. This result demonstrates that a UHSC mixture was produced. The calorimetry results revealed a slight acceleration in the heat of hydration flow curve compared to the control from both aggregates indicating increased hydration reactivity from the addition of foundry waste. The combination of foundry sand and reactive sand was found to increase ASR reactivity with increasing additions of foundry sand up to 30% replacement.

Improved predictions of nuclear reaction rates with the TALYS reaction code for astrophysical applications

International Nuclear Information System (INIS)

Goriely, S.; Hilaire, S.; Koning, A.J

2008-01-01

Context. Nuclear reaction rates of astrophysical applications are traditionally determined on the basis of Hauser-Feshbach reaction codes. These codes adopt a number of approximations that have never been tested, such as a simplified width fluctuation correction, the neglect of delayed or multiple-particle emission during the electromagnetic decay cascade, or the absence of the pre-equilibrium contribution at increasing incident energies. Aims. The reaction code TALYS has been recently updated to estimate the Maxwellian-averaged reaction rates that are of astrophysical relevance. These new developments enable the reaction rates to be calculated with increased accuracy and reliability and the approximations of previous codes to be investigated. Methods. The TALYS predictions for the thermonuclear rates of relevance to astrophysics are detailed and compared with those derived by widely-used codes for the same nuclear ingredients. Results. It is shown that TALYS predictions may differ significantly from those of previous codes, in particular for nuclei for which no or little nuclear data is available. The pre-equilibrium process is shown to influence the astrophysics rates of exotic neutron-rich nuclei significantly. For the first time, the Maxwellian- averaged (n, 2n) reaction rate is calculated for all nuclei and its competition with the radiative capture rate is discussed. Conclusions. The TALYS code provides a new tool to estimate all nuclear reaction rates of relevance to astrophysics with improved accuracy and reliability. (authors)

A General Small-Scale Reactor To Enable Standardization and Acceleration of Photocatalytic Reactions.

Science.gov (United States)

Le, Chi Chip; Wismer, Michael K; Shi, Zhi-Cai; Zhang, Rui; Conway, Donald V; Li, Guoqing; Vachal, Petr; Davies, Ian W; MacMillan, David W C

2017-06-28

Photocatalysis for organic synthesis has experienced an exponential growth in the past 10 years. However, the variety of experimental procedures that have been reported to perform photon-based catalyst excitation has hampered the establishment of general protocols to convert visible light into chemical energy. To address this issue, we have designed an integrated photoreactor for enhanced photon capture and catalyst excitation. Moreover, the evaluation of this new reactor in eight photocatalytic transformations that are widely employed in medicinal chemistry settings has confirmed significant performance advantages of this optimized design while enabling a standardized protocol.

Experimental investigation of the lithium transport mechanisms in cementitious materials by NMR

NARCIS (Netherlands)

Venglovska, S.; Pel, L.; Adan, O.C.G.; Bakker, J.; Frangopol, D.M.; van Breugel, K.

2017-01-01

Lithium hydroxide can help to reduce and control the expansion of concrete caused by Alkalisilica reaction. In new concrete structures the lithium ions can be introduced as admixture to prevent ASR deleterious expansion. In existing structures the lithium ions need to be transported into the

Ternary CaCu{sub 4}P{sub 2}-type pnictides AAg{sub 4}Pn{sub 2} (A=Sr, Eu; Pn=As, Sb)

Energy Technology Data Exchange (ETDEWEB)

Stoyko, Stanislav S.; Khatun, Mansura; Scott Mullen, C. [Department of Chemistry, University of Alberta, Edmonton, Alberta, T6G 2G2 (Canada); Mar, Arthur, E-mail: arthur.mar@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta, T6G 2G2 (Canada)

2012-08-15

Four ternary pnictides AAg{sub 4}Pn{sub 2} (A=Sr, Eu; Pn=As, Sb) were prepared by reactions of the elements at 850 Degree-Sign C and their crystal structures were determined from single-crystal X-ray diffraction studies. These silver-containing pnictides AAg{sub 4}Pn{sub 2} adopt the trigonal CaCu{sub 4}P{sub 2}-type structure (Pearson symbol hR21, space group R3-bar m, Z=3; a=4.5555(6) A, c=24.041(3) A for SrAg{sub 4}As{sub 2}; a=4.5352(2) A, c=23.7221(11) A for EuAg{sub 4}As{sub 2}; a=4.7404(4) A, c=25.029(2) A for SrAg{sub 4}Sb{sub 2}; a=4.7239(3) A, c=24.689(2) A for EuAg{sub 4}Sb{sub 2}), which can be derived from the trigonal CaAl{sub 2}Si{sub 2}-type structure of the isoelectronic zinc-containing pnictides AZn{sub 2}Pn{sub 2} by insertion of additional Ag atoms into trigonal planar sites within [M{sub 2}Pn{sub 2}]{sup 2-} slabs built up of edge-sharing tetrahedra. Band structure calculations on SrAg{sub 4}As{sub 2} and SrAg{sub 4}Sb{sub 2} revealed that these charge-balanced Zintl phases actually exhibit no gap at the Fermi level and are predicted to be semimetals. - Graphical abstract: SrAg{sub 4}As{sub 2} and related pnictides adopt a CaCu{sub 4}P{sub 2}-type structure in which additional Ag atoms enter trigonal planar sites within slabs built from edge-sharing tetrahedra. Highlights: Black-Right-Pointing-Pointer AAg{sub 4}Pn{sub 2} are the first Ag-containing members of the CaCu{sub 4}P{sub 2}-type structure. Black-Right-Pointing-Pointer Ag atoms are stuffed in trigonal planar sites within CaAl{sub 2}Si{sub 2}-type slabs. Black-Right-Pointing-Pointer Ag-Ag bonding develops through attractive d{sup 10}-d{sup 10} interactions.

Fusion reactions initiated by laser-accelerated particle beams in a laser-produced plasma

International Nuclear Information System (INIS)

Labaune, C.; Baccou, C.; Loisel, G.; Yahia, V.; Depierreux, S.; Goyon, C.; Rafelski, J.

2013-01-01

The advent of high-intensity-pulsed laser technology enables the generation of extreme states of matter under conditions that are far from thermal equilibrium. This in turn could enable different approaches to generating energy from nuclear fusion. Relaxing the equilibrium requirement could widen the range of isotopes used in fusion fuels permitting cleaner and less hazardous reactions that do not produce high-energy neutrons. Here we propose and implement a means to drive fusion reactions between protons and boron-11 nuclei by colliding a laser-accelerated proton beam with a laser-generated boron plasma. We report proton-boron reaction rates that are orders of magnitude higher than those reported previously. Beyond fusion, our approach demonstrates a new means for exploring low-energy nuclear reactions such as those that occur in astrophysical plasmas and related environments. (authors)

Stoichiometric Representation of Gene–Protein–Reaction Associations Leverages Constraint-Based Analysis from Reaction to Gene-Level Phenotype Prediction

DEFF Research Database (Denmark)

Machado, Daniel; Herrgard, Markus; Rocha, Isabel

2016-01-01

only describe the metabolic phenotype at the reaction level, understanding the mechanistic link between genotype and phenotype is still hampered by the complexity of gene-protein-reaction associations. We implement a model transformation that enables constraint-based methods to be applied at the gene...... design methods are not actually feasible, and show how our approach allows using the same methods to obtain feasible gene-based designs. We also show, by extensive comparison with experimental 13C-flux data, how simple reformulations of different simulation methods with gene-wise objective functions...

Impact of child death on paediatric trainees.

Science.gov (United States)

Hollingsworth, Clare E; Wesley, Carla; Huckridge, Jaymie; Finn, Gabrielle M; Griksaitis, Michael J

2018-01-01

To assess the prevalence of symptoms of acute stress reactions (ASR) and post-traumatic stress disorder (PTSD) in paediatric trainees following their involvement in child death. A survey designed to identify trainees' previous experiences of child death combined with questions to identify features of PTSD. Quantitative interpretation was used alongside a χ 2 test. A p value of death of a child, although 190/284 (67%) had no training in child death. 118/248 (48%) of trainees were given a formal debrief session following their most recent experience. 203/251 (81%) of trainees reported one or more symptoms or behaviours that could contribute to a diagnosis of ASR/PTSD. 23/251 (9%) of trainees met the complete criteria for ASR and 13/251 (5%) for PTSD. Attending a formal debrief and reporting feelings of guilt were associated with an increase in diagnostic criteria for ASR/PTSD (p=0.036 and pdeath of a child. The feeling of guilt should be identified and acknowledged to allow prompt signposting to further support, including psychological assessment or intervention if required. Clear recommendations need to be made about the safety of debriefing sessions as, in keeping with existing evidence, our data suggest that debrief after the death of a child may be associated with the development of symptoms suggestive of ASR/PTSD. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Chemical reactions confined within carbon nanotubes.

Science.gov (United States)

Miners, Scott A; Rance, Graham A; Khlobystov, Andrei N

2016-08-22

In this critical review, we survey the wide range of chemical reactions that have been confined within carbon nanotubes, particularly emphasising how the pairwise interactions between the catalysts, reactants, transition states and products of a particular molecular transformation with the host nanotube can be used to control the yields and distributions of products of chemical reactions. We demonstrate that nanoscale confinement within carbon nanotubes enables the control of catalyst activity, morphology and stability, influences the local concentration of reactants and products thus affecting equilibria, rates and selectivity, pre-arranges the reactants for desired reactions and alters the relative stability of isomeric products. We critically evaluate the relative advantages and disadvantages of the confinement of chemical reactions inside carbon nanotubes from a chemical perspective and describe how further developments in the controlled synthesis of carbon nanotubes and the incorporation of multifunctionality are essential for the development of this ever-expanding field, ultimately leading to the effective control of the pathways of chemical reactions through the rational design of multi-functional carbon nanoreactors.

The effect of covering head on the hypocalcemia caused by phototherapy in the icteric preterm infants in the Vali-e-Asr hospital in 2015; A Randomized Controlled Trial

Directory of Open Access Journals (Sweden)

Zangoei Dovvom Samane

2016-05-01

Full Text Available There are several methods to reduce serum bilirubin in neonatal jaundice that the most common of them is phototherapy and this method will cause some side effects which one of them is hypocalcemia that is occurred due to the decreased serum concentration of melatonin. This study was conducted aims to evaluate the effect of covering head on hypocalcemia caused by the phototherapy in the icteric infants in the Vali-e-Asr Hospital in 2015. in this clinical trial study, 60 preterm infants with icterus characteristics were hospitalized in NICU ward of Vali-e-Asr Hospital in Birjand at 2014 that had the inclusion criteria and were selected by available sampling and divided into two test group (30 individuals and control group (30 individuals. Infants of the control group with the routine method and infants of the test group with the use of a hat covering occiput were treated under phototherapy. Serum bilirubin and calcium were checked upon admission, 48 hours after starting phototherapy and 24 hours after discontinuation of phototherapy. Data were analyzed using the statistical software of SPSS 15 and statistical t-test at the significance level of 0.05. results showed that the average age at birth, age at phototherapy, average of bilirubin level and calcium level before intervention in the infants of both test and control groups did not have a significant difference (P>0.05. But 48 hours after starting phototherapy, the average of serum calcium in the infants of test group compared to the control group and 24 hours after discontinuation of phototherapy in the infants of control group was significantly higher (P<0.05. In other words, incidence of hypocalcemia in infants with phototherapy with hat was significantly lower than infants with routine phototherapy. In this study (53 percent of infants of the control group received 58.9 mg intravenous calcium. Only 6% of the infants in the intervention group received 10 mg intravenous calcium. covering the

Ligand-enabled ortho-C-H olefination of phenylacetic amides with unactivated alkenes.

Science.gov (United States)

Lu, Ming-Zhu; Chen, Xing-Rong; Xu, Hui; Dai, Hui-Xiong; Yu, Jin-Quan

2018-02-07

Although chelation-assisted C-H olefination has been intensely investigated, Pd(ii)-catalyzed C-H olefination reactions are largely restricted to acrylates and styrenes. Here we report a quinoline-derived ligand that enables the Pd(ii)-catalyzed olefination of the C(sp 2 )-H bond with simple aliphatic alkenes using a weakly coordinating monodentate amide auxiliary. Oxygen is used as the terminal oxidant with catalytic copper as the co-oxidant. A variety of functional groups in the aliphatic alkenes are tolerated. Upon hydrogenation, the ortho -alkylated product can be accessed. The utility of this reaction is also demonstrated by the late-stage diversification of drug molecules.

A general framework for thermodynamically consistent parameterization and efficient sampling of enzymatic reactions.

Directory of Open Access Journals (Sweden)

Pedro Saa

2015-04-01

Full Text Available Kinetic models provide the means to understand and predict the dynamic behaviour of enzymes upon different perturbations. Despite their obvious advantages, classical parameterizations require large amounts of data to fit their parameters. Particularly, enzymes displaying complex reaction and regulatory (allosteric mechanisms require a great number of parameters and are therefore often represented by approximate formulae, thereby facilitating the fitting but ignoring many real kinetic behaviours. Here, we show that full exploration of the plausible kinetic space for any enzyme can be achieved using sampling strategies provided a thermodynamically feasible parameterization is used. To this end, we developed a General Reaction Assembly and Sampling Platform (GRASP capable of consistently parameterizing and sampling accurate kinetic models using minimal reference data. The former integrates the generalized MWC model and the elementary reaction formalism. By formulating the appropriate thermodynamic constraints, our framework enables parameterization of any oligomeric enzyme kinetics without sacrificing complexity or using simplifying assumptions. This thermodynamically safe parameterization relies on the definition of a reference state upon which feasible parameter sets can be efficiently sampled. Uniform sampling of the kinetics space enabled dissecting enzyme catalysis and revealing the impact of thermodynamics on reaction kinetics. Our analysis distinguished three reaction elasticity regions for common biochemical reactions: a steep linear region (0> ΔGr >-2 kJ/mol, a transition region (-2> ΔGr >-20 kJ/mol and a constant elasticity region (ΔGr <-20 kJ/mol. We also applied this framework to model more complex kinetic behaviours such as the monomeric cooperativity of the mammalian glucokinase and the ultrasensitive response of the phosphoenolpyruvate carboxylase of Escherichia coli. In both cases, our approach described appropriately not only

Indications for MARS-MRI in Patients Treated With Metal-on-Metal Hip Resurfacing Arthroplasty.

Science.gov (United States)

Connelly, James W; Galea, Vincent P; Matuszak, Sean J; Madanat, Rami; Muratoglu, Orhun; Malchau, Henrik

2018-06-01

Currently, there are no universally accepted guidelines on when to obtain metal artifact reduction sequence magnetic resonance imaging (MARS-MRI) in metal-on-metal (MoM) hip resurfacing arthroplasty (HRA) patients. Our primary aims were to identify which patient and clinical factors are predictive of adverse local tissue reaction (ALTR) and create an algorithm for indicating MARS-MRI in patients with Articular Surface Replacement (ASR) HRA. The secondary aim was to compare our algorithm to existing guidelines on when to perform MARS-MRI in MoM HRA patients. The study cohort consisted of 182 patients with unilateral ASR HRA from a prospective, multicenter study. Subjects received MARS-MRI at a mean of 7.8 years from surgery, regardless of symptoms. We determined which variables were predictive of ALTR and generated cutoffs for each variable. Finally, we created an algorithm to predict ALTR and indicate MARS-MRI in ASR HRA patients using these cutoffs and compared it to existing guidelines. We found high blood cobalt (Co) (odds ratio = 1.070; P = .011) and high blood chromium (Cr) (odds ratio = 1.162; P = .002) to be significant predictors of ALTR presence. Our algorithm using a blood Co cutoff of 1.15 ppb and a Cr cutoff of 1.09 ppb achieved 96.6% sensitivity and 35.3% specificity in predicting ALTR, which outperformed the existing guidelines. Blood Co and Cr levels are predictive of ALTR in ASR HRA patients. Our algorithm considering blood Co and Cr levels predicts ALTR in ASR HRA patients with higher sensitivity than previously established guidelines. Copyright © 2018 Elsevier Inc. All rights reserved.

ASR Technology for Children with Dyslexia: Enabling Immediate Intervention to Support Reading in Bahasa Melayu

Science.gov (United States)

Husni, Husniza; Jamaludin, Zulikha

2009-01-01

Reading is an essential skill towards literacy development, and should be provided so that children can master the skill at their early ages. For dyslexic children, mastering the skill is a challenge. It has been widely agreed that the theory behind such difficulties in reading for dyslexic lies in the phonological-core deficits. Support has been…

High-temperature epoxidation of soybean oil in flow : speeding up elemental reactions wanted and unwanted

NARCIS (Netherlands)

Cortese, B.; Croon, de M.H.J.M.; Hessel, V.

2012-01-01

The soybean oil epoxidation reaction is investigated theoretically through kinetic modeling of temperature effects enabled through flow processing under superheated conditions. Different from previous studies on such processing, here a complex reaction network superimposed by multiphase transport is

Measures to prevent concrete damage due to alkali-silica reaction in the Netherlands: Current state-of-affairs

NARCIS (Netherlands)

Heijnen, W.M.M.; Larbi, J.A.

1999-01-01

In CUR-Recommendation 38, various vital measures that need to be taken during design of new concrete-mixtures in order to prevent damage due to ASR in the concrete have been outlined. The most important of these measures are: • the use of blast furnace slag cement (with a high slag content: 50 % by

Modeling of fluctuating reaction networks

International Nuclear Information System (INIS)

Lipshtat, A.; Biham, O.

2004-01-01

Full Text:Various dynamical systems are organized as reaction networks, where the population size of one component affects the populations of all its neighbors. Such networks can be found in interstellar surface chemistry, cell biology, thin film growth and other systems. I cases where the populations of reactive species are large, the network can be modeled by rate equations which provide all reaction rates within mean field approximation. However, in small systems that are partitioned into sub-micron size, these populations strongly fluctuate. Under these conditions rate equations fail and the master equation is needed for modeling these reactions. However, the number of equations in the master equation grows exponentially with the number of reactive species, severely limiting its feasibility for complex networks. Here we present a method which dramatically reduces the number of equations, thus enabling the incorporation of the master equation in complex reaction networks. The method is examplified in the context of reaction network on dust grains. Its applicability for genetic networks will be discussed. 1. Efficient simulations of gas-grain chemistry in interstellar clouds. Azi Lipshtat and Ofer Biham, Phys. Rev. Lett. 93 (2004), 170601. 2. Modeling of negative autoregulated genetic networks in single cells. Azi Lipshtat, Hagai B. Perets, Nathalie Q. Balaban and Ofer Biham, Gene: evolutionary genomics (2004), In press

Contract Support and Facilitation of Epidemic Outbreak Surveillance (EOS) Program Final Operating Capability (FOC)

Science.gov (United States)

2007-08-01

parapertussis ASR* Market HSV Non-typing ASR* Market HSV Typing ASR* Market Enterovirus ASR* Market Parvovirus B19 ASR* Market TACSTD1 ASR* Market...utilizes a monoclonal antibody against the group- reactive antigen of human adenovirus to qualitatively detect the presence of this antigen in...hybridization between pathogens for most positive strains tested, i.e. reactivity of fluA with fluA, fluB, and Strep. pyogenes. Conversely, most of

Speech Acquisition and Automatic Speech Recognition for Integrated Spacesuit Audio Systems

Science.gov (United States)

Huang, Yiteng; Chen, Jingdong; Chen, Shaoyan

2010-01-01

A voice-command human-machine interface system has been developed for spacesuit extravehicular activity (EVA) missions. A multichannel acoustic signal processing method has been created for distant speech acquisition in noisy and reverberant environments. This technology reduces noise by exploiting differences in the statistical nature of signal (i.e., speech) and noise that exists in the spatial and temporal domains. As a result, the automatic speech recognition (ASR) accuracy can be improved to the level at which crewmembers would find the speech interface useful. The developed speech human/machine interface will enable both crewmember usability and operational efficiency. It can enjoy a fast rate of data/text entry, small overall size, and can be lightweight. In addition, this design will free the hands and eyes of a suited crewmember. The system components and steps include beam forming/multi-channel noise reduction, single-channel noise reduction, speech feature extraction, feature transformation and normalization, feature compression, model adaption, ASR HMM (Hidden Markov Model) training, and ASR decoding. A state-of-the-art phoneme recognizer can obtain an accuracy rate of 65 percent when the training and testing data are free of noise. When it is used in spacesuits, the rate drops to about 33 percent. With the developed microphone array speech-processing technologies, the performance is improved and the phoneme recognition accuracy rate rises to 44 percent. The recognizer can be further improved by combining the microphone array and HMM model adaptation techniques and using speech samples collected from inside spacesuits. In addition, arithmetic complexity models for the major HMMbased ASR components were developed. They can help real-time ASR system designers select proper tasks when in the face of constraints in computational resources.

Investigating the relationship between cognitive failures and workload among nurses of Imam Khomeini and Vali-e-Asr hospitals in Tehran

Directory of Open Access Journals (Sweden)

Arsalan Yousef Zade

2016-06-01

Full Text Available Introduction: High level of workload and its consequent cognitive failures are among factors which impact nurses’ behavior, performance, and efficiency. This study aimed to investigate the relationship between nurses’ cognitive failures and perceived workload. Material and Method: This cross-sectional and descriptive-analytical study was carried out among 150 male and female nurses, working in different units of Emam Khomeini and Vali-e-Asr hospitals in Tehran in 2013. NASA task load index (NASA-TlX and Cognitive Failure Questionnaire (CFQ were used to assess workload and cognitive failures, respectively. Data were analyzed using Pearson Correlation, Independent sample t-test, and one-way ANOVA statistical tests with SPSS software version 20. Result: Pearson and Spearman correlation coefficients test results showed a significant relationship between nurses’ mental workload and their memory for names (P-value<0.001. Moreover, there was significant association between physical workload and memory, attention and total cognitive failures (CFQ total (P-value<0.05. Perceived frustration mong nurses was significantly correlated with memory, attention, motor functions and total cognitive failures (P-value<0.05. Conclusion: The results showed a high level of workload among study nurses. Furthermore, the relationships between some dimensions of mental workload and cognitive failures were confirmed, so that an increase in workload dimension can lead to more cognitive failures while doing task.

Gamma-ray emission spectrum from thermonuclear fusion reactions without intrinsic broadening

DEFF Research Database (Denmark)

Nocente, M.; Källne, J.; Salewski, Mirko

2015-01-01

First principle calculations of the gamma-ray energy spectrum arising from thermonuclear reactions without intrinsic broadening in fusion plasmas are presented, extending the theoretical framework needed to interpret measurements up to the accuracy level enabled by modern high resolution instrume......First principle calculations of the gamma-ray energy spectrum arising from thermonuclear reactions without intrinsic broadening in fusion plasmas are presented, extending the theoretical framework needed to interpret measurements up to the accuracy level enabled by modern high resolution...... instruments. An analytical formula for the spectrum from Maxwellian plasmas, which extends to higher temperatures than the results previously available in the literature, has been derived and used to discuss the assumptions and limitations of earlier models. In case of radio-frequency injection, numerical...... results based on a Monte Carlo method are provided, focusing in particular on improved relations between the peak shift and width from the reaction and the temperature of protons accelerated by radio-frequency heating.The results presented in this paper significantly improve the accuracy of diagnostic...

Automated Prediction of Catalytic Mechanism and Rate Law Using Graph-Based Reaction Path Sampling.

Science.gov (United States)

Habershon, Scott

2016-04-12

In a recent article [ J. Chem. Phys. 2015 , 143 , 094106 ], we introduced a novel graph-based sampling scheme which can be used to generate chemical reaction paths in many-atom systems in an efficient and highly automated manner. The main goal of this work is to demonstrate how this approach, when combined with direct kinetic modeling, can be used to determine the mechanism and phenomenological rate law of a complex catalytic cycle, namely cobalt-catalyzed hydroformylation of ethene. Our graph-based sampling scheme generates 31 unique chemical products and 32 unique chemical reaction pathways; these sampled structures and reaction paths enable automated construction of a kinetic network model of the catalytic system when combined with density functional theory (DFT) calculations of free energies and resultant transition-state theory rate constants. Direct simulations of this kinetic network across a range of initial reactant concentrations enables determination of both the reaction mechanism and the associated rate law in an automated fashion, without the need for either presupposing a mechanism or making steady-state approximations in kinetic analysis. Most importantly, we find that the reaction mechanism which emerges from these simulations is exactly that originally proposed by Heck and Breslow; furthermore, the simulated rate law is also consistent with previous experimental and computational studies, exhibiting a complex dependence on carbon monoxide pressure. While the inherent errors of using DFT simulations to model chemical reactivity limit the quantitative accuracy of our calculated rates, this work confirms that our automated simulation strategy enables direct analysis of catalytic mechanisms from first principles.

The 'compensation effect' in the graphite/CO2 reaction

International Nuclear Information System (INIS)

Stephen, W.J.

1983-08-01

The compensation effect is the often observed linear relationship between the activation energy and pre-exponential factor in the Arrhenius equations of a series of related reactions. Previously reported studies of the graphite/CO 2 reaction at different total pressures and CO 2 /CO ratios are used as an example of the compensation effect. The effect is shown in general to be an artefact produced by a strong correlation between the parameter estimates in the conventional Arrhenius plot. A transformation of the Arrhenius plot to minimise the overall correlation between estimates and thus enable detection of a true compensation effect is presented. The results of this transformation on the kinetic data for the graphite/CO 2 reaction are consistent with previous analyses of the reaction system. They show that there is only a limited compensation effect within this study and demonstrate the influence of the approach to equilibrium of the graphite/CO 2 reaction. (author)

PrenDB, a Substrate Prediction Database to Enable Biocatalytic Use of Prenyltransferases.

Science.gov (United States)

Gunera, Jakub; Kindinger, Florian; Li, Shu-Ming; Kolb, Peter

2017-03-10

Prenyltransferases of the dimethylallyltryptophan synthase (DMATS) superfamily catalyze the attachment of prenyl or prenyl-like moieties to diverse acceptor compounds. These acceptor molecules are generally aromatic in nature and mostly indole or indole-like. Their catalytic transformation represents a major skeletal diversification step in the biosynthesis of secondary metabolites, including the indole alkaloids. DMATS enzymes thus contribute significantly to the biological and pharmacological diversity of small molecule metabolites. Understanding the substrate specificity of these enzymes could create opportunities for their biocatalytic use in preparing complex synthetic scaffolds. However, there has been no framework to achieve this in a rational way. Here, we report a chemoinformatic pipeline to enable prenyltransferase substrate prediction. We systematically catalogued 32 unique prenyltransferases and 167 unique substrates to create possible reaction matrices and compiled these data into a browsable database named PrenDB. We then used a newly developed algorithm based on molecular fragmentation to automatically extract reactive chemical epitopes. The analysis of the collected data sheds light on the thus far explored substrate space of DMATS enzymes. To assess the predictive performance of our virtual reaction extraction tool, 38 potential substrates were tested as prenyl acceptors in assays with three prenyltransferases, and we were able to detect turnover in >55% of the cases. The database, PrenDB (www.kolblab.org/prendb.php), enables the prediction of potential substrates for chemoenzymatic synthesis through substructure similarity and virtual chemical transformation techniques. It aims at making prenyltransferases and their highly regio- and stereoselective reactions accessible to the research community for integration in synthetic work flows. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Specific brainstem and cortico-spinal reflex abnormalities in coexisting essential tremor and Parkinson's disease (ET-PD).

Science.gov (United States)

Yavuz, D; Gündüz, A; Ertan, S; Apaydın, H; Şifoğlu, A; Kiziltan, G; Kiziltan, M E

2015-05-01

We aimed to analyze functional changes at brainstem and spinal levels in essential tremor (ET), Parkinson's disease (PD) and coexisting essential tremor and Parkinson's disease (ET-PD). Age- and gender-matched patients with tremor (15 ET, 7 ET with resting tremor, 25 ET-PD and 10 PD) and 12 healthy subjects were enrolled in the study. Diagnosis was established according to standardized clinical criteria. Electrophysiological studies included blink reflex (BR), auditory startle reaction (ASR) and long latency reflex (LLR). Blink reflex was normal and similar in all groups. Probability of ASR was significantly lower in ET-PD group whereas it was similar to healthy subjects in ET and PD (PET, PD and ET-PD groups. LLR III was far more common in the PD group (n=3, 13.6% in ET; n=4, 16.0% in ET-PD and n=7, 46.7% in PD; p=0.037). Despite the integrity of BR pathways, ASR and LLR show distinctive abnormalities in ET-PD. In our opinion, our electrophysiological findings support the hypothesis that ET-PD is a distinct entity. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

Catalytic Upgrading of Biomass-Derived Compounds via C-C Coupling Reactions. Computational and Experimental Studies of Acetaldehyde and Furan Reactions in HZSM-5

Energy Technology Data Exchange (ETDEWEB)

Liu, Cong [Argonne National Lab. (ANL), Argonne, IL (United States); Evans, Tabitha J. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Cheng, Lei [Argonne National Lab. (ANL), Argonne, IL (United States); Nimlos, Mark R. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Mukarakate, Calvin [National Renewable Energy Lab. (NREL), Golden, CO (United States); Robichaud, David J. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Assary, Rajeev S. [Argonne National Lab. (ANL), Argonne, IL (United States); Curtiss, Larry A. [Argonne National Lab. (ANL), Argonne, IL (United States)

2015-10-02

These catalytic C–C coupling and deoxygenation reactions are essential for upgrading of biomass-derived oxygenates to fuel-range hydrocarbons. Detailed understanding of mechanistic and energetic aspects of these reactions is crucial to enabling and improving the catalytic upgrading of small oxygenates to useful chemicals and fuels. Using periodic density functional theory (DFT) calculations, we have investigated the reactions of furan and acetaldehyde in an HZSM-5 zeolite catalyst, a representative system associated with the catalytic upgrading of pyrolysis vapors. Comprehensive energy profiles were computed for self-reactions (i.e., acetaldehyde coupling and furan coupling) and cross-reactions (i.e., acetaldehyde + furan) of this representative mixture. Major products proposed from the computations are further confirmed using temperature controlled mass spectra measurements. Moreover, the computational results show that furan interacts with acetaldehyde in HZSM-5 via an alkylation mechanism, which is more favorable than the self-reactions, indicating that mixing furans with aldehydes could be a promising approach to maximize effective C–C coupling and dehydration while reducing the catalyst deactivation (e.g., coke formation) from aldehyde condensation.

Comparison of iron and copper doped manganese cobalt spinel oxides as protective coatings for solid oxide fuel cell interconnects

Science.gov (United States)

Talic, Belma; Molin, Sebastian; Wiik, Kjell; Hendriksen, Peter Vang; Lein, Hilde Lea

2017-12-01

MnCo2O4, MnCo1.7Cu0.3O4 and MnCo1.7Fe0.3O4 are investigated as coatings for corrosion protection of metallic interconnects in solid oxide fuel cell stacks. Electrophoretic deposition is used to deposit the coatings on Crofer 22 APU alloy. All three coating materials reduce the parabolic oxidation rate in air at 900 °C and 800 °C. At 700 °C there is no significant difference in oxidation rate between coated samples and uncoated pre-oxidized Crofer 22 APU. The cross-scale area specific resistance (ASR) is measured in air at 800 °C using La0.85Sr0.1Mn1.1O3 (LSM) contact plates to simulate the interaction with the cathode in a SOFC stack. All coated samples have three times lower ASR than uncoated Crofer 22 APU after 4370 h aging. The ASR increase with time is lowest with the MnCo2O4 coating, followed by the MnCo1.7Fe0.3O4 and MnCo1.7Cu0.3O4 coatings. LSM plates contacted to uncoated Crofer 22 APU contain significant amounts of Cr after aging, while all three coatings effectively prevent Cr diffusion into the LSM. A complex Cr-rich reaction layer develops at the coating-alloy interface during oxidation. Cu and Fe doping reduce the extent of this reaction layer at 900 °C, while at 800 °C the effect of doping is insignificant.

Present understanding of the stability of Li-stuffed garnets with moisture, carbon dioxide, and metallic lithium

Science.gov (United States)

Hofstetter, Kyle; Samson, Alfred Junio; Narayanan, Sumaletha; Thangadurai, Venkataraman

2018-06-01

Fast lithium-ion conducting garnet-type metal oxides are promising membranes for next-generation all-solid-state Li batteries and beyond Li-ion batteries, including Li-air and Li-S batteries, due to their high total Li-ion conductivity and excellent chemical stability against reaction with elemental Li. Several studies have been reported on structure-chemical composition-ionic conductivity property in Li-stuffed garnet-type metal oxides. Here, an overview of the chemical and electrochemical stability of lithium-based garnets against moisture/humidity, aqueous solutions, carbon dioxide, sulfur, and metallic lithium are analyzed. Moisture and aqueous stability studies focus on understanding the crystal structure stability, the proton exchange capacity as a function of Li content in Li-stuffed garnets, and how the protonated species affect the crystal structure and mass transport properties. H+/Li+ exchange was found to be in the range of 2-100%. Stability concerning Li-ion conductivity and morphology under carbon dioxide are discussed. Interfacial chemical stability with lithium metal characterized by electrochemical stability window, Li dendrite formation and area specific resistance (ASR) for the reaction Li ⇌ Li+ +e- are presented. Recent attempts to suppress dendrite formation and to reduce ASR via surface modification are also highlighted. Li and Li-stuffed garnet interface ASR values are shown to be as high as >2000 Ω cm2 and as low as 1 Ω cm2 at room temperature for surface modified Li-stuffed samples. Furthermore, recent studies on Li-S battery utilizing chemically stable Li - garnet electrolyte are also discussed.

EnableATIS strategy assessment.

Science.gov (United States)

2014-02-01

Enabling Advanced Traveler Information Systems (EnableATIS) is the traveler information component of the Dynamic Mobility Application (DMA) program. The objective of : the EnableATIS effort is to foster transformative traveler information application...

Intermediate energy charge-exchange reactions induced by polarized 3He

International Nuclear Information System (INIS)

Kim, B.T.

1998-01-01

Spin polarization transfer is proven to be very useful in obtaining detailed information of the continuum nuclear responses. The data, taken for the (vector p,vector n) reactions, have enabled us to separate the response into the spin longitudinal and transverse components. These partial nuclear responses have been successfully used to make critical tests of nuclear structure models. In the present paper, we first summarize the results of the data and the theoretical analyses made so far. We then discuss information obtainable from the ( 3 vector He,vector t) reaction, emphasizing on the differences and similarities in comparison with the (vector p,vector n) reaction. The results of numerical calculations made for ( 3 vector He,vector t) reactions based on the microscopic distorted wave impulse approximation will also be reported. (orig.)

Biocompatible click chemistry enabled compartment-specific pH measurement inside E. coli.

Science.gov (United States)

Yang, Maiyun; Jalloh, Abubakar S; Wei, Wei; Zhao, Jing; Wu, Peng; Chen, Peng R

2014-09-19

Bioorthogonal reactions, especially the Cu(I)-catalysed azide-alkyne cycloaddition, have revolutionized our ability to label and manipulate biomolecules under living conditions. The cytotoxicity of Cu(I) ions, however, has hindered the application of this reaction in the internal space of living cells. By systematically surveying a panel of Cu(I)-stabilizing ligands in promoting protein labelling within the cytoplasm of Escherichia coli, we identify a highly efficient and biocompatible catalyst for intracellular modification of proteins by azide-alkyne cycloaddition. This reaction permits us to conjugate an environment-sensitive fluorophore site specifically onto HdeA, an acid-stress chaperone that adopts pH-dependent conformational changes, in both the periplasm and cytoplasm of E. coli. The resulting protein-fluorophore hybrid pH indicators enable compartment-specific pH measurement to determine the pH gradient across the E. coli cytoplasmic membrane. This construct also allows the measurement of E. coli transmembrane potential, and the determination of the proton motive force across its inner membrane under normal and acid-stress conditions.

Analysis of the fuel influence in obtaining HAp by combustion reaction

International Nuclear Information System (INIS)

Santos, T.L.; Leite, A.M.D.; Viana, K.M.S.

2016-01-01

The search for new materials for biomedical applications has led to investigation of the calcium phosphate bioceramics, and in particular hydroxyapatite (HAp), being a material similar to bone tissue, with excellent biocompatibility and high osteoconduction, enabling bone regeneration which allows the use at implants and prostheses. The synthesis of the nanometric HAp by combustion reaction enables obtaining the nanometric HAp with a more similar structure biological apatite as possible. This work aims to synthesize HAp by combustion reaction using two different routes of synthesis, first, using urea as fuel and the second using glycine, after this, evaluate the influence of fuels used in the microstructure of the hydroxyapatite obtained. The HAp obtained was characterized by: XRD, FTIR and SEM. Through analysis of the results, there is the synthesis conditions used that glycine has performed more favorable to obtaining HAp. (author)

Volcanic Aggregates from Azores and Madeira Archipelagos (Portugal): An Overview Regarding the Alkali Silica Reactions

Science.gov (United States)

Medeiros, Sara; Ramos, Violeta; Fernandes, Isabel; Nunes, João Carlos; Fournier, Benoit; Santos Silva, António; Soares, Dora

2017-12-01

Alkali-silica reaction (ASR) is a type of deterioration that has been causing serious expansion, cracking and durability/operational issues in concrete structures worldwide. The presence of sufficient moisture, high alkali content in the cement paste and reactive forms of silica in the aggregates are the required conditions for this reaction to occur. Reactive aggregates of volcanic nature have been reported in different countries such as Japan, Iceland and Turkey, among others. The presence of silica minerals and SiO2-rich volcanic glass is regarded as the main cause for the reactivity of volcanic rocks. In Portugal, volcanic aggregates are mainly present in Azores and Madeira Archipelagos and, for several years, there was no information regarding the potential alkali-reactivity of these rocks. Since the beginning of this decade some data was obtained by the work of Medeiros (2011) and Ramos (2013) and by the national research projects ReAVA, (Characterization of potential reactivity of the volcanic aggregates from the Azores Archipelago: implications on the durability of concrete structures) and IMPROVE (Improvement of performance of aggregates in the inhibition of alkali-aggregate reactions in concrete), respectively. In order to investigate the potential alkali-reactivity of aggregates from both archipelagos, a total of sixteen aggregates were examined under the optical microscope and, some of them, also under the Scanning Electron Microscope with Energy Dispersive X-ray Spectroscopy. A set of geochemical analyses and laboratory expansion tests were also performed on those volcanic aggregates. The main results showed that the presence of volcanic glass is rare in both archipelagos and that the samples of Madeira Archipelago contain clay minerals (mainly from scoria/tuff formations inter-layered with the lava flows), which can play a role in concrete expansion. The results of the laboratory tests showed that one of the samples performed as potentially reactive

Underwater microwave ignition of hydrophobic thermite powder enabled by the bubble-marble effect

International Nuclear Information System (INIS)

Meir, Yehuda; Jerby, Eli

2015-01-01

Highly energetic thermite reactions could be useful for a variety of combustion and material-processing applications, but their usability is yet limited by their hard ignition conditions. Furthermore, in virtue of their zero-oxygen balance, exothermic thermite reactions may also occur underwater. However, this feature is also hard to utilize because of the hydrophobic properties of the thermite powder, and its tendency to agglomerate on the water surface rather than to sink into the water. The recently discovered bubble-marble (BM) effect enables the insertion and confinement of a thermite-powder batch into water by a magnetic field. Here, we present a phenomenon of underwater ignition of a thermite-BM by localized microwaves. The thermite combustion underwater is observed in-situ, and its microwave absorption and optical spectral emission are detected. The vapour pressure generated by the thermite reaction is measured and compared to theory. The combustion products are examined ex-situ by X-ray photo-electron spectroscopy which verifies the thermite reaction. Potential applications of this underwater combustion effect are considered, e.g., for detonation, wet welding, thermal drilling, material processing, thrust generation, and composite-material production, also for other oxygen-free environments

Underwater microwave ignition of hydrophobic thermite powder enabled by the bubble-marble effect

Energy Technology Data Exchange (ETDEWEB)

Meir, Yehuda; Jerby, Eli, E-mail: jerby@eng.tau.ac.il [Faculty of Engineering, Tel Aviv University, Ramat Aviv 6997801 (Israel)

2015-08-03

Highly energetic thermite reactions could be useful for a variety of combustion and material-processing applications, but their usability is yet limited by their hard ignition conditions. Furthermore, in virtue of their zero-oxygen balance, exothermic thermite reactions may also occur underwater. However, this feature is also hard to utilize because of the hydrophobic properties of the thermite powder, and its tendency to agglomerate on the water surface rather than to sink into the water. The recently discovered bubble-marble (BM) effect enables the insertion and confinement of a thermite-powder batch into water by a magnetic field. Here, we present a phenomenon of underwater ignition of a thermite-BM by localized microwaves. The thermite combustion underwater is observed in-situ, and its microwave absorption and optical spectral emission are detected. The vapour pressure generated by the thermite reaction is measured and compared to theory. The combustion products are examined ex-situ by X-ray photo-electron spectroscopy which verifies the thermite reaction. Potential applications of this underwater combustion effect are considered, e.g., for detonation, wet welding, thermal drilling, material processing, thrust generation, and composite-material production, also for other oxygen-free environments.

Cold-cap reactions in vitrification of nuclear waste glass: experiments and modeling

International Nuclear Information System (INIS)

Chun, Jaehun; Pierce, David A.; Pokorny, Richard; Hrma, Pavel R.

2013-01-01

Cold-cap reactions are multiple overlapping reactions that occur in the waste-glass melter during the vitrification process when the melter feed is being converted to molten glass. In this study, we used differential scanning calorimetry (DSC) to investigate cold-cap reactions in a high-alumina high-level waste melter feed. To separate the reaction heat from both sensible heat and experimental instability, we employed the run/rerun method, which enabled us to define the degree of conversion based on the reaction heat and to estimate the heat capacity of the reacting feed. Assuming that the reactions are nearly independent and can be approximated by the nth order kinetics, we obtained the kinetic parameters using the Kissinger method combined with least squares analysis. The resulting mathematical simulation of the cold-cap reactions provides a key element for the development of an advanced cold-cap model

Nanoparticle-triggered in situ catalytic chemical reactions for tumour-specific therapy.

Science.gov (United States)

Lin, Han; Chen, Yu; Shi, Jianlin

2018-03-21

Tumour chemotherapy employs highly cytotoxic chemodrugs, which kill both cancer and normal cells by cellular apoptosis or necrosis non-selectively. Catalysing/triggering the specific chemical reactions only inside tumour tissues can generate abundant and special chemicals and products locally to initiate a series of unique biological and pathologic effects, which may enable tumour-specific theranostic effects to combat cancer without bringing about significant side effects on normal tissues. Nevertheless, chemical reaction-initiated selective tumour therapy strongly depends on the advances in chemistry, materials science, nanotechnology and biomedicine. This emerging cross-disciplinary research area is substantially different from conventional cancer-theranostic modalities in clinics. In response to the fast developments in cancer theranostics based on intratumoural catalytic chemical reactions, this tutorial review summarizes the very-recent research progress in the design and synthesis of representative nanoplatforms with intriguing nanostructures, compositions, physiochemical properties and biological behaviours for versatile catalytic chemical reaction-enabled cancer treatments, mainly by either endogenous tumour microenvironment (TME) triggering or exogenous physical irradiation. These unique intratumoural chemical reactions can be used in tumour-starving therapy, chemodynamic therapy, gas therapy, alleviation of tumour hypoxia, TME-responsive diagnostic imaging and stimuli-responsive drug release, and even externally triggered versatile therapeutics. In particular, the challenges and future developments of such a novel type of cancer-theranostic modality are discussed in detail to understand the future developments and prospects in this research area as far as possible. It is highly expected that this kind of unique tumour-specific therapeutics by triggering specific in situ catalytic chemical reactions inside tumours would provide a novel but efficient

Total cross-sections for reactions of high energy particles (including elastic, topological, inclusive and exclusive reactions). Subvol. b

International Nuclear Information System (INIS)

Schopper, H.; Moorhead, W.G.; Morrison, D.R.O.

1988-01-01

The aim of this report is to present a compilation of cross-sections (i.e. reaction rates) of elementary particles at high energy. The data are presented in the form of tables, plots and some fits, which should be easy for the reader to use and may enable him to estimate cross-sections for presently unmeasured energies. We have analyzed all the data published in the major Journals and Reviews for momenta of the incoming particles larger than ≅ 50 MeV/c, since the early days of elementary particle physics and, for each reaction, we have selected the best cross-section data available. We have restricted our attention to integrated cross-sections, such as total cross-sections, exclusive and inclusive cross-sections etc., at various incident beam energies. We have disregarded data affected by geometrical and/or kinematical cuts which would make them not directly comparable to other data at different energies. Also, in the case of exclusive reactions, we have left out data where not all of the particles in the final state were unambiguously identified. This work contains reactions induced by neutrinos, gammas, charged pions, kaons, nucleons, antinucleons and hyperons. (orig./HSI)

Toward genome-enabled mycology.

Science.gov (United States)

Hibbett, David S; Stajich, Jason E; Spatafora, Joseph W

2013-01-01

Genome-enabled mycology is a rapidly expanding field that is characterized by the pervasive use of genome-scale data and associated computational tools in all aspects of fungal biology. Genome-enabled mycology is integrative and often requires teams of researchers with diverse skills in organismal mycology, bioinformatics and molecular biology. This issue of Mycologia presents the first complete fungal genomes in the history of the journal, reflecting the ongoing transformation of mycology into a genome-enabled science. Here, we consider the prospects for genome-enabled mycology and the technical and social challenges that will need to be overcome to grow the database of complete fungal genomes and enable all fungal biologists to make use of the new data.

Anal incontinence in women with recurrent obstetric anal sphincter rupture

DEFF Research Database (Denmark)

Bøgeskov, Reneé; Nickelsen, Carsten Nahne Amtoft; Secher, Niels Jørgen

2015-01-01

UNLABELLED: Abstract Objectives: To determine the risk of recurrent anal sphincter rupture (ASR), and compare the risk of anal incontinence (AI) after recurrent ASR, with that seen in women with previous ASR who deliver by caesarean section or vaginally without sustaining a recurrent ASR. METHODS...

Carbon-13 Labeling Used to Probe Cure and Degradation Reactions of High- Temperature Polymers

Science.gov (United States)

Meador, Mary Ann B.; Johnston, J. Christopher

1998-01-01

High-temperature, crosslinked polyimides are typically insoluble, intractible materials. Consequently, in these systems it has been difficult to follow high-temperature curing or long-term degradation reactions on a molecular level. Selective labeling of the polymers with carbon-13, coupled with solid nuclear magnetic resonance spectrometry (NMR), enables these reactions to be followed. We successfully employed this technique to provide insight into both curing and degradation reactions of PMR-15, a polymer matrix resin used extensively in aircraft engine applications.

Methods for safe and economical design of components of ABS/ABR braking systems in terms of operating stability; Methodik zur sicheren und wirtschaftlichen betriebsfesten Auslegung von Komponenten in ABS/ASR-Bremssystemen

Energy Technology Data Exchange (ETDEWEB)

Bacher-Hoechst, M. [Robert Bosch GmbH, Technisches Zentrum Schwieberdingen (Germany); Sonsino, C.M. [Fraunhofer-Institut fuer Betriebsfestigkeit (LBF), Darmstadt (Germany)

1997-05-01

The combination of hardware-in-the-loop simulators with stress calculation in terms of operating stability at Robert Bosch GmbH, as well as experience gathered at LBF Darmstadt with component in terms of operating stability, result in optimized design of hydraulic units for antilock systems (ABS) and acceleration skid control systems (ASC). Thus, both safety demands and economic demands are met. (orig./AKF) [Deutsch] Die kombinierte Anwendung von Hardware-In-The-Loop-Simulatoren mit betriebsfestigkeitsgerechter Belastungserfassung bei der Robert Bosch GmbH und die beim LBF Darmstadt vorliegenden Erfahrungen bei der betriebsfesten Bauteilauslegung fuehren zu einer optimierten Auslegung und Absicherung von Hydraulikaggregaten fuer Antiblockier- und Antriebsschlupfregelungssyteme (ABS,ASR). Die wesentlichen Schritte dieses Vorgehens wurden gezeigt. Auf diese Weise ist es moeglich, den Sicherheitsanforderungen derartiger Bauteile einerseits und den wirtschaftlich-technischen Rahmenbedingungen andererseits zu entsprechen. (orig./AKF)

Controlled trifluoromethylation reactions of alkynes through visible-light photoredox catalysis.

Science.gov (United States)

Iqbal, Naeem; Jung, Jaehun; Park, Sehyun; Cho, Eun Jin

2014-01-07

The control of a reaction that can form multiple products is a highly attractive and challenging concept in synthetic chemistry. A set of valuable CF3 -containing molecules, namely trifluoromethylated alkenyl iodides, alkenes, and alkynes, were selectively generated from alkynes and CF3 I by environmentally benign and efficient visible-light photoredox catalysis. Subtle differences in the combination of catalyst, base, and solvent enabled the control of reactivity and selectivity for the reaction between an alkyne and CF3 I. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Researches on Preliminary Chemical Reactions in Spark-Ignition Engines

Science.gov (United States)

1943-06-01

compression type, without ignition, the resulting preliminary reactions being detectable and meas- urable thermometrically . Contents I. Influence of Preliminary...thoroughly insulated be- tween the carburettor and the engine, by aluminium foil and asbestos. -I -I " I" I ’I il i~ " !, I I 1𔃻I I’ ) To enable the

Chemical reactions on platinum-group metal surfaces studied by synchrotron-radiation-based spectroscopy

International Nuclear Information System (INIS)

Kondoh, Hiroshi; Nakai, Ikuyo; Nagasaka, Masanari; Amemiya, Kenta; Ohta, Toshiaki

2009-01-01

A new version of synchrotron-radiation-based x-ray spectroscopy, wave-length-dispersive near-edge x-ray absorption fine structure (dispersive-NEXAFS), and fast x-ray photoelectron spectroscopy have been applied to mechanistic studies on several surface catalytic reactions on platinum-group-metal surfaces. In this review, our approach using above techniques to understand the reaction mechanism and actual application studies on three well-known catalytic surface reactions, CO oxidation on Pt(111) and Pd(111), NO reduction on Rh(111), and H 2 O formation on Pt(111), are introduced. Spectroscopic monitoring of the progress of the surface reactions enabled us to detect reaction intermediates and analyze the reaction kinetics quantitatively which provides information on reaction order, rate constant, pre-exponential factor, activation energy and etc. Such quantitative analyses combined with scanning tunneling microscopy and kinetic Monte Carlo simulations revealed significant contribution of the adsorbate configurations and their dynamic changes to the reaction mechanisms of the above fundamental catalytic surface reactions. (author)

Supported liquid phase catalyst coating in micro flow Mizoroki-Heck reaction

NARCIS (Netherlands)

Stouten, S.C.; Noël, T.; Wang, Q.; Hessel, V.

2015-01-01

A Supported Liquid Phase Catalyst (SLPC) coating was successfully applied for the Mizoroki–Heck reaction in micro flow. Foremost, extended on stream operation was enabled and the on stream performance stability was verified. Stable catalytic activity was achieved during two consecutive runs totaling

The central tower of the cathedral of Schleswig - New investigations to understand the alcali-silica reaction of historical mortars

Science.gov (United States)

Wedekind, Wanja; Protz, Andreas

2016-04-01

The damaging alcali-silica reaction leads to crack-formation and structural destruction at noumerous, constructed with cement mortar, buildings worldwide. The ASR-reaction causes the expansion of altered aggregates by the formation of a swelling gel. This gel consists of calcium silicate hydrate (C-S-H) that increases in volume with water, which exerts an expansive pressure inside the material. The cathedral of Schleswig is one of the oldest in northern Germany. The first church was built in 985-965. The Romanesque building part was erected around 1180 and the Gothic nave at the end of the 13th century. The central tower was constructed between 1888 and 1894 with brick and cement mortar. With 112 meters, the tower is the second-largest church spire of the country of Schleswig-Holstein in northern Germany. Due to the formation of cracks and damages from 1953 to 1956 first restoration works took place. Further developments of cracks are making restoration necessary again today. For developing a suitable conservation strategy, different investigations were done. The investigation included the determination of the pore space properties, the hygric and thermal dilatation and mercury porosimetry measurements. Furthermore, the application of cathodoluminescence microscopy may give information about the alteration process and microstructures present and reveal the differences between unaltered and altered mortars. An obvious relation between the porosity and the swelling intensity could be detected. Furthermore it becomes apparent, that a clear zonation of the mortar took place. The mortar near the surface is denser with a lower porosity and has a significantly lower swelling or dilatation.

Chemical signal activation of an organocatalyst enables control over soft material formation.

Science.gov (United States)

Trausel, Fanny; Maity, Chandan; Poolman, Jos M; Kouwenberg, D S J; Versluis, Frank; van Esch, Jan H; Eelkema, Rienk

2017-10-12

Cells can react to their environment by changing the activity of enzymes in response to specific chemical signals. Artificial catalysts capable of being activated by chemical signals are rare, but of interest for creating autonomously responsive materials. We present an organocatalyst that is activated by a chemical signal, enabling temporal control over reaction rates and the formation of materials. Using self-immolative chemistry, we design a deactivated aniline organocatalyst that is activated by the chemical signal hydrogen peroxide and catalyses hydrazone formation. Upon activation of the catalyst, the rate of hydrazone formation increases 10-fold almost instantly. The responsive organocatalyst enables temporal control over the formation of gels featuring hydrazone bonds. The generic design should enable the use of a large range of triggers and organocatalysts, and appears a promising method for the introduction of signal response in materials, constituting a first step towards achieving communication between artificial chemical systems.Enzymes regulated by chemical signals are common in biology, but few such artificial catalysts exist. Here, the authors design an aniline catalyst that, when activated by a chemical trigger, catalyses formation of hydrazone-based gels, demonstrating signal response in a soft material.

Elucidating reaction mechanisms on quantum computers

Science.gov (United States)

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M.; Wecker, Dave; Troyer, Matthias

2017-01-01

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources. PMID:28674011

Elucidating reaction mechanisms on quantum computers

Science.gov (United States)

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M.; Wecker, Dave; Troyer, Matthias

2017-07-01

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources.

Elucidating reaction mechanisms on quantum computers.

Science.gov (United States)

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M; Wecker, Dave; Troyer, Matthias

2017-07-18

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources.

Nano-organocatalyst: magnetically retrievable ferrite-anchored glutathione for microwave-assisted Paal–Knorr reaction, aza-Michael addition, and pyrazole synthesis

KAUST Repository

Polshettiwar, Vivek; Varma, Rajender S.

2010-01-01

Postsynthetic Surface modification of magnetic nanoparticles by glutathione imparts desirable chemical functionality and enables the generation of catalytic sites on the surfaces of ensuing organocatalysts. In this article, we discuss the developments, unique activity, and high selectivity of nano-organocatalysts for microwave-assisted Paal-Knorr reaction, aza-Michael addition, and pyrazole synthesis. Their insoluble character Coupled with paramagnetic nature enables easy separation of these nano-catalysts from the reaction mixture using external magnet, which eliminates the requirement of catalyst filtration. Published by Elsevier Ltd.

Integration of metabolome data with metabolic networks reveals reporter reactions

DEFF Research Database (Denmark)

Çakir, Tunahan; Patil, Kiran Raosaheb; Önsan, Zeynep Ilsen

2006-01-01

Interpreting quantitative metabolome data is a difficult task owing to the high connectivity in metabolic networks and inherent interdependency between enzymatic regulation, metabolite levels and fluxes. Here we present a hypothesis-driven algorithm for the integration of such data with metabolic...... network topology. The algorithm thus enables identification of reporter reactions, which are reactions where there are significant coordinated changes in the level of surrounding metabolites following environmental/genetic perturbations. Applicability of the algorithm is demonstrated by using data from...... is measured. By combining the results with transcriptome data, we further show that it is possible to infer whether the reactions are hierarchically or metabolically regulated. Hereby, the reported approach represents an attempt to map different layers of regulation within metabolic networks through...

Neutron-induced capture cross sections via the surrogate reaction method

International Nuclear Information System (INIS)

Boutoux, G.; Jurado, B.; Aiche, M.; Barreau, G.; Capellan, N.; Companis, I.; Czajkowski, S.; Dassie, D.; Haas, B.; Mathieu, L.; Meot, V.; Bail, A.; Bauge, E.; Daugas, J. M.; Faul, T.; Gaudefroy, L.; Morel, P.; Pillet, N.; Roig, O.; Romain, P.; Taieb, J.; Theroine, C.; Burke, J.T.; Companis, I.; Derkx, X.; Gunsing, F.; Matea, I.; Tassan-Got, L.; Porquet, M.G.; Serot, O.

2011-01-01

The surrogate reaction method is an indirect way of determining cross sections for nuclear reactions that proceed through a compound nucleus. This technique enables neutron-induced cross sections to be extracted for nuclear reactions on short-lived unstable nuclei that otherwise can not be measured. This technique has been successfully applied to determine the neutron-induced fission cross sections of several short-lived nuclei. In this work, we investigate whether this powerful technique can also be used to determine of neutron-induced capture cross sections. For this purpose we use the surrogate reaction 174 Yb( 3 He, pγ) 176 Lu to infer the well known 175 Lu(n, γ) cross section and compare the results with the directly measured neutron-induced data. This surrogate experiment has been performed in March 2010. The experimental technique used and the first preliminary results will be presented. (authors)

A Catalyst-Enabled Diastereodivergent Aza-Diels-Alder Reaction: Complementarity of N-Heterocyclic Carbenes and Chiral Amines.

Science.gov (United States)

Rong, Zi-Qiang; Wang, Min; Chow, Chi Hao Eugene; Zhao, Yu

2016-07-04

Highly efficient and diastereodivergent aza-Diels-Alder reactions have been developed to access either diastereomeric series of benzofuran-fused δ-lactams and dihydropyridines in nearly perfect stereoselectivity (d.r. >20:1, >99 % ee for all examples). The complementarity of N-heterocyclic carbene and chiral amine as the catalyst was demonstrated for the first time, together with an excellent level of catalytic efficiency (1 mol % loading). © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

On the Effect of Microwave Energy on Lipase-Catalyzed Polycondensation Reactions

Directory of Open Access Journals (Sweden)

Alessandro Pellis

2016-09-01

Full Text Available Microwave energy (MWe is, nowadays, widely used as a clean synthesis tool to improve several chemical reactions, such as drug molecule synthesis, carbohydrate conversion and biomass pyrolysis. On the other hand, its exploitation in enzymatic reactions has only been fleetingly investigated and, hence, further study of MWe is required to reach a precise understanding of its potential in this field. Starting from the authors’ experience in clean synthesis and biocatalyzed reactions, this study sheds light on the possibility of using MWe for enhancing enzyme-catalyzed polycondensation reactions and pre-polymer formation. Several systems and set ups were investigated involving bulk and organic media (solution phase reactions, different enzymatic preparations and various starting bio-based monomers. Results show that MWe enables the biocatalyzed synthesis of polyesters and pre-polymers in a similar way to that reported using conventional heating with an oil bath, but in a few cases, notably bulk phase polycondensations under intense microwave irradiation, MWe leads to a rapid enzyme deactivation.

P-odd effects observed in the reactions with neutrons and isospin structure of weak nucleon-nucleon interaction

International Nuclear Information System (INIS)

Smotritskij, L.M.

2001-01-01

Application of resonance phase for two quasi-stationary states with similar spin and unlike parity is shown to enable to coordinate the experimentally observed signed dependence of P-odd effects in neutron reactions with the theory. The developed approach enables to obtain information on isospin structure of a weak nucleon-nucleon interaction [ru

Modular verification of chemical reaction network encodings via serializability analysis

Science.gov (United States)

Lakin, Matthew R.; Stefanovic, Darko; Phillips, Andrew

2015-01-01

Chemical reaction networks are a powerful means of specifying the intended behaviour of synthetic biochemical systems. A high-level formal specification, expressed as a chemical reaction network, may be compiled into a lower-level encoding, which can be directly implemented in wet chemistry and may itself be expressed as a chemical reaction network. Here we present conditions under which a lower-level encoding correctly emulates the sequential dynamics of a high-level chemical reaction network. We require that encodings are transactional, such that their execution is divided by a “commit reaction” that irreversibly separates the reactant-consuming phase of the encoding from the product-generating phase. We also impose restrictions on the sharing of species between reaction encodings, based on a notion of “extra tolerance”, which defines species that may be shared between encodings without enabling unwanted reactions. Our notion of correctness is serializability of interleaved reaction encodings, and if all reaction encodings satisfy our correctness properties then we can infer that the global dynamics of the system are correct. This allows us to infer correctness of any system constructed using verified encodings. As an example, we show how this approach may be used to verify two- and four-domain DNA strand displacement encodings of chemical reaction networks, and we generalize our result to the limit where the populations of helper species are unlimited. PMID:27325906

Process and device for energy production from thermonuclear fusion reactions

International Nuclear Information System (INIS)

Bussard, R.W.; Coppi, Bruno.

1977-01-01

An energy generating system is described using a fusion reaction. It includes several contrivances for confining a plasma in an area, a protective device around a significant part of each of these confinement contrivances, an appliance for introducing a fusion reaction fuel in each of the confinements so that the plasma may be formed. Each confinement can be separated from the protective device so that it may be replaced by another. The system is connected to the confinements, to the protective devices or to both. It enables the thermal energy to be extracted and transformed into another form, electric, mechanical or both [fr

The three-dimensional structures of bacterial reaction centers.

Science.gov (United States)

Olson, T L; Williams, J C; Allen, J P

2014-05-01

This review presents a broad overview of the research that enabled the structure determination of the bacterial reaction centers from Blastochloris viridis and Rhodobacter sphaeroides, with a focus on the contributions from Duysens, Clayton, and Feher. Early experiments performed in the laboratory of Duysens and others demonstrated the utility of spectroscopic techniques and the presence of photosynthetic complexes in both oxygenic and anoxygenic photosynthesis. The laboratories of Clayton and Feher led efforts to isolate and characterize the bacterial reaction centers. The availability of well-characterized preparations of pure and stable reaction centers allowed the crystallization and subsequent determination of the structures using X-ray diffraction. The three-dimensional structures of reaction centers revealed an overall arrangement of two symmetrical branches of cofactors surrounded by transmembrane helices from the L and M subunits, which also are related by the same twofold symmetry axis. The structure has served as a framework to address several issues concerning bacterial photosynthesis, including the directionality of electron transfer, the properties of the reaction center-cytochrome c 2 complex, and the coupling of proton and electron transfer. Together, these research efforts laid the foundation for ongoing efforts to address an outstanding question in oxygenic photosynthesis, namely the molecular mechanism of water oxidation.

D+D thermonuclear fusion reactions with polarized particles

International Nuclear Information System (INIS)

Kozma, P.

1986-01-01

Polarization measurements from the 2 H(d, n) 3 He and 2 H(d, p) 3 H thermonuclear reactions at deuteron energies below 1 MeV are anayzed. Results of analysis enable to discuss the existence of 4 He excited states in the vicinity of d+d threshold energy as well as to extrapolate total cross-sections σ tot (d+d) into the region of very low energies

Risk factors of recurrent anal sphincter ruptures

DEFF Research Database (Denmark)

Jangö, Hanna; Langhoff-Roos, J; Rosthøj, Steen

2012-01-01

Please cite this paper as: Jangö H, Langhoff-Roos J, Rosthøj S, Sakse A. Risk factors of recurrent anal sphincter ruptures: a population-based cohort study. BJOG 2012;00:000-000 DOI: 10.1111/j.1471-0528.2012.03486.x. Objective  To determine the incidence and risk factors of recurrent anal sphincter...... were used to determine risk factors of recurrent ASR. Main outcome measures  The incidence of recurrent ASR and odds ratios for possible risk factors of recurrent ASR: age, body mass index, grade of ASR, birthweight, head circumference, gestational age, presentation, induction of labour, oxytocin...... augmentation, epidural, episiotomy, vacuum extraction, forceps, shoulder dystocia, delivery interval and year of second delivery. Results  Out of 159 446 women, 7336 (4.6%) experienced an ASR at first delivery, and 521 (7.1%) had a recurrent ASR (OR 5.91). The risk factors of recurrent ASR in the multivariate...

A flow reactor setup for photochemistry of biphasic gas/liquid reactions

Directory of Open Access Journals (Sweden)

Josef Schachtner

2016-08-01

Full Text Available A home-built microreactor system for light-mediated biphasic gas/liquid reactions was assembled from simple commercial components. This paper describes in full detail the nature and function of the required building elements, the assembly of parts, and the tuning and interdependencies of the most important reactor and reaction parameters. Unlike many commercial thin-film and microchannel reactors, the described set-up operates residence times of up to 30 min which cover the typical rates of many organic reactions. The tubular microreactor was successfully applied to the photooxygenation of hydrocarbons (Schenck ene reaction. Major emphasis was laid on the realization of a constant and highly reproducible gas/liquid slug flow and the effective illumination by an appropriate light source. The optimized set of conditions enabled the shortening of reaction times by more than 99% with equal chemoselectivities. The modular home-made flow reactor can serve as a prototype model for the continuous operation of various other reactions at light/liquid/gas interfaces in student, research, and industrial laboratories.

The epidemiologic status of gynecologic cancer in Thailand

OpenAIRE

Wilailak, Sarikapan; Lertchaipattanakul, Nuttapong

2016-01-01

Between the years of 2010?2012, it was estimated there were a total of 112,392 new cases of cancers in Thailand, thus, the total age-standardized rate (ASR) per 100,000 is 137.6. In regards to the most prevalent types of cancer in female, breast cancer has the highest ASR, followed by cervical cancer (ASR=14.4); liver and bile duct cancer; colon and rectum cancer; trachea, bronchus and lung cancer; ovarian cancer (ASR=6.0); thyroid cancer; non-Hodgkin lymphoma and uterine cancer (ASR=4.3). Th...

Electronic and magnetic properties of R0.5A0.5MnO3 compounds (R=Gd, Dy, Ho, Er; A=Sr, Ca)

International Nuclear Information System (INIS)

Terai, T.; Sasaki, T.; Kakeshita, T.; Fukuda, T.; Saburi, T.; Kitagawa, H.; Kindo, K.; Honda, M.

2000-01-01

Electronic and magnetic properties of the perovskitelike compounds of R 0.5 A 0.5 MnO 3 (R=Gd, Dy, Ho, Er; A=Sr, Ca) have been studied by measuring lattice parameter, electrical resistivity, magnetic susceptibility, and magnetization. All the Sr-doped compounds show a transition from a paramagnetic insulator to a spin-glass-like insulator at T g , even though the manganite La 0.5 Ca 0.5 MnO 3 , with nearly the same tolerance factor t, have been shown by others, to have different transitions. On the other hand, all the Ca-doped compounds show a charge-ordering transition at T CO and show a transition from a paramagnetic insulator to a canted antiferromagnetic insulator and/or a spin-glass-like insulator at T CA below T CO . These transition temperatures decrease with decreasing t. In the compound of Gd 0.5 Ca 0.5 MnO 3 , the collapse of the charge ordering has been observed under a pulsed high magnetic field of 45 T at 4.2 K. On the other hand, in the compound of Gd 0.5 Sr 0.5 MnO 3 , the magnetization process depends on the strength of magnetic field. These electronic and magnetic properties depend not only on the tolerance factor but also the variance (second moment) of the A-site ion radii distribution

Habituation in acoustic startle reflex: individual differences in personality.

Science.gov (United States)

Blanch, Angel; Balada, Ferran; Aluja, Anton

2014-03-01

This study analyzed the relationship of individual differences in personality with habituation in the acoustic startle response (ASR). Data from nine trials in ASR to white noise bursts and a personality questionnaire based on the alternative big five personality approach were modelled with a latent growth curve (LCM) including intercept and slope habituation growth factors. There was a negative correlation between the intercept and slope, indicating that individuals with higher initial ASR levels had also a more pronounced and faster decrease in the ASR. Contrary to expectations, Extraversion and Sensation Seeking did not relate with habituation in ASR. Neuroticism and Aggressiveness related asymmetrically with the habituation rate in ASR. Higher levels of Neuroticism were related with faster habituation, whereas higher levels of Aggressiveness were related with slower habituation. Further studies with the LCM should be undertaken to clarify in a greater extent the association of personality with habituation in ASR. Copyright © 2014 Elsevier B.V. All rights reserved.

Drinking Water Quality Criterion - Based site Selection of Aquifer Storage and Recovery Scheme in Chou-Shui River Alluvial Fan

Science.gov (United States)

Huang, H. E.; Liang, C. P.; Jang, C. S.; Chen, J. S.

2015-12-01

Land subsidence due to groundwater exploitation is an urgent environmental problem in Choushui river alluvial fan in Taiwan. Aquifer storage and recovery (ASR), where excess surface water is injected into subsurface aquifers for later recovery, is one promising strategy for managing surplus water and may overcome water shortages. The performance of an ASR scheme is generally evaluated in terms of recovery efficiency, which is defined as percentage of water injected in to a system in an ASR site that fulfills the targeted water quality criterion. Site selection of an ASR scheme typically faces great challenges, due to the spatial variability of groundwater quality and hydrogeological condition. This study proposes a novel method for the ASR site selection based on drinking quality criterion. Simplified groundwater flow and contaminant transport model spatial distributions of the recovery efficiency with the help of the groundwater quality, hydrological condition, ASR operation. The results of this study may provide government administrator for establishing reliable ASR scheme.

Design of a facility for the in situ measurement of catalytic reaction by neutron scattering spectroscopy

Science.gov (United States)

Tan, Shuai; Cheng, Yongqiang; Daemen, Luke L.; Lutterman, Daniel A.

2018-01-01

Catalysis is a critical enabling science for future energy needs. The next frontier of catalysis is to evolve from catalyst discovery to catalyst design, and for this next step to be realized, we must develop new techniques to better understand reaction mechanisms. To do this, we must connect catalytic reaction rates and selectivities to the kinetics, energetics, and dynamics of individual elementary steps and relate these to the structure and dynamics of the catalytic sites involved. Neutron scattering spectroscopies offer unique capabilities that are difficult or impossible to match by other techniques. The current study presents the development of a compact and portable instrumental design that enables the in situ investigation of catalytic samples by neutron scattering techniques. The developed apparatus was tested at the Spallation Neutron Source (SNS) in Oak Ridge National Laboratory and includes a gas handling panel that allows for computer hookups to control the panel externally and online measurement equipment such as coupled GC-FID/TCD (Gas Chromatography-Flame Ionization Detector/Thermal Conductivity Detector) and MS (Mass Spectrometry) to characterize offgassing while the sample is in the neutron scattering spectrometer. This system is flexible, modular, compact, and portable enabling its use for many types of gas-solid and liquid-solid reactions at the various beamlines housed at the SNS.

Insights into the mechanisms on chemical reactions: reaction paths for chemical reactions

International Nuclear Information System (INIS)

Dunning, T.H. Jr.; Rosen, E.; Eades, R.A.

1987-01-01

We report reaction paths for two prototypical chemical reactions: Li + HF, an electron transfer reaction, and OH + H 2 , an abstraction reaction. In the first reaction we consider the connection between the energetic terms in the reaction path Hamiltonian and the electronic changes which occur upon reaction. In the second reaction we consider the treatment of vibrational effects in chemical reactions in the reaction path formalism. 30 refs., 9 figs

Quantum state-resolved gas/surface reaction dynamics probed by reflection absorption infrared spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Chen Li [Department of Dynamics at Surfaces, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, Goettingen (Germany); Ueta, Hirokazu; Beck, Rainer D. [Laboratoire de Chimie Physique Moleculaire, Ecole Polytechnique Federale de Lausanne (Switzerland); Bisson, Regis [Aix-Marseille Universite, PIIM, CNRS, UMR 7345, 13397 Marseille (France)

2013-05-15

We report the design and characterization of a new molecular-beam/surface-science apparatus for quantum state-resolved studies of gas/surface reaction dynamics combining optical state-specific reactant preparation in a molecular beam by rapid adiabatic passage with detection of surface-bound reaction products by reflection absorption infrared spectroscopy (RAIRS). RAIRS is a non-invasive infrared spectroscopic detection technique that enables online monitoring of the buildup of reaction products on the target surface during reactant deposition by a molecular beam. The product uptake rate obtained by calibrated RAIRS detection yields the coverage dependent state-resolved reaction probability S({theta}). Furthermore, the infrared absorption spectra of the adsorbed products obtained by the RAIRS technique provide structural information, which help to identify nascent reaction products, investigate reaction pathways, and determine branching ratios for different pathways of a chemisorption reaction. Measurements of the dissociative chemisorption of methane on Pt(111) with this new apparatus are presented to illustrate the utility of RAIRS detection for highly detailed studies of chemical reactions at the gas/surface interface.

Recent advances in the chemistry of Rh carbenoids: multicomponent reactions of diazocarbonyl compounds

International Nuclear Information System (INIS)

Medvedev, J J; Nikolaev, V A

2015-01-01

Multicomponent reactions of diazo compounds catalyzed by Rh II complexes become a powerful tool for organic synthesis. They enable three- or four-step processes to be carried out as one-pot procedures (actually as one step) with high stereoselectivity to give complex organic molecules, including biologically active compounds. This review addresses recent results in the chemistry of Rh-catalyzed multicomponent reactions of diazocarbonyl compounds with the intermediate formation of N-, O- and C=O–ylides. The diastereo- and enantioselectivity of these reactions and the possibility of using various co-catalysts to increase the efficiency of the processes under consideration are discussed. The bibliography includes 120 references

Constructing New Bioorthogonal Reagents and Reactions.

Science.gov (United States)

Row, R David; Prescher, Jennifer A

2018-05-15

Chemical tools are transforming our understanding of biomolecules and living systems. Included in this group are bioorthogonal reagents-functional groups that are inert to most biological species, but can be selectively ligated with complementary probes, even in live cells and whole organisms. Applications of these tools have revealed fundamental new insights into biomolecule structure and function-information often beyond the reach of genetic approaches. In many cases, the knowledge gained from bioorthogonal probes has enabled new questions to be asked and innovative research to be pursued. Thus, the continued development and application of these tools promises to both refine our view of biological systems and facilitate new discoveries. Despite decades of achievements in bioorthogonal chemistry, limitations remain. Several reagents are too large or insufficiently stable for use in cellular environments. Many bioorthogonal groups also cross-react with one another, restricting them to singular tasks. In this Account, we describe our work to address some of the voids in the bioorthogonal toolbox. Our efforts to date have focused on small reagents with a high degree of tunability: cyclopropenes, triazines, and cyclopropenones. These motifs react selectively with complementary reagents, and their unique features are enabling new pursuits in biology. The Account is organized by common themes that emerged in our development of novel bioorthogonal reagents and reactions. First, natural product structures can serve as valuable starting points for probe design. Cyclopropene, triazine, and cyclopropenone motifs are all found in natural products, suggesting that they would be metabolically stable and compatible with a variety of living systems. Second, fine-tuning bioorthogonal reagents is essential for their successful translation to biological systems. Different applications demand different types of probes; thus, generating a collection of tools that span a continuum of

Stereo-controlled synthesis of polyheterocycles via the diene-transmissive hetero-Diels-Alder reaction of β,γ-unsaturated α-keto esters.

Science.gov (United States)

Otani, Takashi; Tamai, Yumiko; Seki, Kazunori; Kikuchi, Tomohiro; Miyazawa, Taiichiro; Saito, Takao

2015-06-07

We describe the stereoselective synthesis of polyring-fused heterocyclic compounds based on diene-transmissive hetero-Diels-Alder reactions utilizing β,γ-unsaturated α-keto esters. This protocol involves the initial endo- or exo-selective Diels-Alder (DA) reactions with electron-rich dienophiles, methylenation of the ester carbonyl groups with the Tebbe reagent, and a stereoselective second DA reaction with electron-deficient dienophiles. The use of enantioselective DA reactions in the initial reaction enables access to chiral polyring-fused heterocyclic compounds with multiple chiral centres.

Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

International Nuclear Information System (INIS)

Osborn, David L.

2017-01-01

Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low temperature combustion and the oxidation of volatile organic compounds in earth’s atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization make characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, while master equation methods enable a holistic treatment of both sequential and well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.

Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

Science.gov (United States)

Osborn, David L.

2017-05-01

Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low-temperature combustion and in the oxidation of volatile organic compounds in Earth's atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization makes characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, and master equation methods enable a holistic treatment of both sequential and well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.

Photoinitiated reactions in weakly bonded complexes

International Nuclear Information System (INIS)

Wittig, C.

1993-01-01

This paper discusses photoinitiated reactions in weakly bonded binary complexes in which the constituents are only mildly perturbed by the intermolecular bond. Such complexes, with their large zero point excursions, set the stage for events that occur following electronic excitation of one of the constituents. This can take several forms, but in all cases, entrance channel specificity is imposed by the character of the complex as well as the nature of the photoinitiation process. This has enabled us to examine aspects of bimolecular processes: steric effects, chemical branching ratios, and inelastic scattering. Furthermore, monitoring reactions directly in the time domain can reveal mechanisms that cannot be inferred from measurements of nascent product excitations. Consequently, we examined several systems that had been studied previously by our group with product state resolution. With CO 2 /HI, in which reaction occurs via a HOCO intermediate, the rates agree with RRKM predictions. With N 2 O/HI, the gas phase single collision reaction yielding OH + N 2 has been shown to proceed mainly via an HNNO intermediate that undergoes a 1,3-hydrogen shift to the OH + N 2 channel. With complexes, ab initio calculations and high resolution spectroscopic studies of analogous systems suggest that the hydrogen, while highly delocalized, prefers the oxygen to the nitrogen. We observe that OH is produced with a fast risetime (< 250 fs) which can be attributed to either direct oxygen-side attack or rapid HNNO decomposition and/or a termolecular contribution involving the nearby iodine

Study of the 18F(p,α)15O reaction by transfer reaction for application to γ-ray emission from Novae

International Nuclear Information System (INIS)

Sereville, N. de

2003-12-01

The gamma emission from novae at/or below 511 keV is due to the annihilation of the positrons produced in the beta + decay of F 18 . The interpretation of this emission through observations made by the Integral satellite for instance, requires a good knowledge of F 18 nucleosynthesis. The reaction rate of the F 18 (p,α)O 15 is the least known because of 2 resonances corresponding to the levels 6.419 and 6.449 MeV of Ne 19 whose proton widths are completely unknown. We have determined these proton widths via the study of one-nucleon transfer reaction D(F 18 ,pα)N 15 populating equivalent levels in F 19 . We have used a 14 MeV F 18 radioactive beam on a CD 2 target for inverse kinematics studies and the multi-track silicon detector LEDA. A DWBA (Distorted Wave Bound Approximation) has enabled us to determine the proton width of both resonances and has showed that they have an impact in the calculation of the reaction rate. A thorough study of the remaining uncertainties of the reaction rate has been undertaken, particularly for those concerning interferences between these resonances and a higher resonance of Ne 19 . The reaction rate that we have obtained is very similar to the previous rate used but now it rests on a more solid basis

Web-enabling technologies for the factory floor: a web-enabling strategy for emanufacturing

Science.gov (United States)

Velez, Ricardo; Lastra, Jose L. M.; Tuokko, Reijo O.

2001-10-01

This paper is intended to address the different technologies available for Web-enabling of the factory floor. It will give an overview of the importance of Web-enabling of the factory floor, in the application of the concepts of flexible and intelligent manufacturing, in conjunction with e-commerce. As a last section, it will try to define a Web-enabling strategy for the application in eManufacturing. This is made under the scope of the electronics manufacturing industry, so every application, technology or related matter is presented under such scope.

Alternative Speech Communication System for Persons with Severe Speech Disorders

Science.gov (United States)

Selouani, Sid-Ahmed; Sidi Yakoub, Mohammed; O'Shaughnessy, Douglas

2009-12-01

Assistive speech-enabled systems are proposed to help both French and English speaking persons with various speech disorders. The proposed assistive systems use automatic speech recognition (ASR) and speech synthesis in order to enhance the quality of communication. These systems aim at improving the intelligibility of pathologic speech making it as natural as possible and close to the original voice of the speaker. The resynthesized utterances use new basic units, a new concatenating algorithm and a grafting technique to correct the poorly pronounced phonemes. The ASR responses are uttered by the new speech synthesis system in order to convey an intelligible message to listeners. Experiments involving four American speakers with severe dysarthria and two Acadian French speakers with sound substitution disorders (SSDs) are carried out to demonstrate the efficiency of the proposed methods. An improvement of the Perceptual Evaluation of the Speech Quality (PESQ) value of 5% and more than 20% is achieved by the speech synthesis systems that deal with SSD and dysarthria, respectively.

Geo-Enabled, Mobile Services

DEFF Research Database (Denmark)

Jensen, Christian Søndergaard

2006-01-01

We are witnessing the emergence of a global infrastructure that enables the widespread deployment of geo-enabled, mobile services in practice. At the same time, the research community has also paid increasing attention to data management aspects of mobile services. This paper offers me...

Tutorial Review: Simulation of Oscillating Chemical Reactions Using Microsoft Excel Macros

Directory of Open Access Journals (Sweden)

Abdolhossein Naseri

2016-12-01

Full Text Available Oscillating reactions are one of the most interesting topics in chemistry and analytical chemistry. Fluctuations in concentrations of one the reacting species (usually a reaction intermediate create an oscillating chemical reaction. In oscillating systems, the reaction is far from thermodynamic equilibrium. In these systems, at least one autocatalytic step is required. Developing an instinctive feeling for how oscillating reactions work will be invaluable to future generations of chemists. Some software programs have been released for simulating oscillating systems; however, the algorithm details of such software are not transparent to chemists. In contrast, function of spreadsheet tools, like Microsoft Excel, is well understood, and the software is nearly universally available. In this work, the simulation and visualization of different oscillating systems are performed using Microsoft excel. The simple repetitive solving of the ordinary differential equation of an autocatalytic reaction (a spreadsheet row followed by time, easily automated by a subroutine (a “Macro” in Excel, readily simulates an oscillating reaction. This permits the simulation of some oscillating systems such asBelousov-Zhabotinsky. The versatility of an easily understandable computational platform further enables the simulation of the effects of linear and nonlinear parameters such as concentrations of reactants and catalyst, and kinetic constants. These parameters are readily changed to examine their effects.

Catalytic Asymmetric Total Synthesis of (+)- and (-)-Paeoveitol via a Hetero-Diels-Alder Reaction.

Science.gov (United States)

Li, Tian-Ze; Geng, Chang-An; Yin, Xiu-Juan; Yang, Tong-Hua; Chen, Xing-Long; Huang, Xiao-Yan; Ma, Yun-Bao; Zhang, Xue-Mei; Chen, Ji-Jun

2017-02-03

The first catalytic asymmetric total synthesis of (+)- and (-)-paeoveitol has been accomplished in 42% overall yield via a biomimetic hetero-Diels-Alder reaction. The chiral phosphoric acid catalyzed hetero-Diels-Alder reaction showed excellent diastereo- and enantioselectivity (>99:1 dr and 90% ee); two rings and three stereocenters were constructed in a single step to produce (-)-paeoveitol on a scale of 452 mg. This strategy enabled us to selectively synthesize both paeoveitol enantiomers from the same substrates by simply changing the enantiomer of the catalyst.

The Nordic Housing Enabler

DEFF Research Database (Denmark)

Helle, T.; Nygren, C.; Slaug, B.

2014-01-01

This study addresses development of a content-valid cross-Nordic version of the Housing Enabler and investigation of its inter-rater reliability when used in occupational therapy rating situations, involving occupational therapists, clients, and their home environments. The instrument was transla......This study addresses development of a content-valid cross-Nordic version of the Housing Enabler and investigation of its inter-rater reliability when used in occupational therapy rating situations, involving occupational therapists, clients, and their home environments. The instrument...... was translated from the original Swedish version of the Housing Enabler, and adapted according to accessibility norms and guidelines for housing design in Sweden, Denmark, Finland, and Iceland. This iterative process involved occupational therapists, architects, building engineers, and professional translators......, resulting in the Nordic Housing Enabler. For reliability testing, the sampling strategy and data collection procedures used were the same in all countries. Twenty voluntary occupational therapists, pair-wise but independently of each other, collected data from 106 cases by means of the Nordic Housing...

Ultralocalized thermal reactions in subnanoliter droplets-in-air.

Science.gov (United States)

Salm, Eric; Guevara, Carlos Duarte; Dak, Piyush; Dorvel, Brian Ross; Reddy, Bobby; Alam, Muhammad Ashraf; Bashir, Rashid

2013-02-26

Miniaturized laboratory-on-chip systems promise rapid, sensitive, and multiplexed detection of biological samples for medical diagnostics, drug discovery, and high-throughput screening. Within miniaturized laboratory-on-chips, static and dynamic droplets of fluids in different immiscible media have been used as individual vessels to perform biochemical reactions and confine the products. Approaches to perform localized heating of these individual subnanoliter droplets can allow for new applications that require parallel, time-, and space-multiplex reactions on a single integrated circuit. Our method positions droplets on an array of individual silicon microwave heaters on chip to precisely control the temperature of droplets-in-air, allowing us to perform biochemical reactions, including DNA melting and detection of single base mismatches. We also demonstrate that ssDNA probe molecules can be placed on heaters in solution, dried, and then rehydrated by ssDNA target molecules in droplets for hybridization and detection. This platform enables many applications in droplets including hybridization of low copy number DNA molecules, lysing of single cells, interrogation of ligand-receptor interactions, and rapid temperature cycling for amplification of DNA molecules.

Algorithms of GPU-enabled reactive force field (ReaxFF) molecular dynamics.

Science.gov (United States)

Zheng, Mo; Li, Xiaoxia; Guo, Li

2013-04-01

Reactive force field (ReaxFF), a recent and novel bond order potential, allows for reactive molecular dynamics (ReaxFF MD) simulations for modeling larger and more complex molecular systems involving chemical reactions when compared with computation intensive quantum mechanical methods. However, ReaxFF MD can be approximately 10-50 times slower than classical MD due to its explicit modeling of bond forming and breaking, the dynamic charge equilibration at each time-step, and its one order smaller time-step than the classical MD, all of which pose significant computational challenges in simulation capability to reach spatio-temporal scales of nanometers and nanoseconds. The very recent advances of graphics processing unit (GPU) provide not only highly favorable performance for GPU enabled MD programs compared with CPU implementations but also an opportunity to manage with the computing power and memory demanding nature imposed on computer hardware by ReaxFF MD. In this paper, we present the algorithms of GMD-Reax, the first GPU enabled ReaxFF MD program with significantly improved performance surpassing CPU implementations on desktop workstations. The performance of GMD-Reax has been benchmarked on a PC equipped with a NVIDIA C2050 GPU for coal pyrolysis simulation systems with atoms ranging from 1378 to 27,283. GMD-Reax achieved speedups as high as 12 times faster than Duin et al.'s FORTRAN codes in Lammps on 8 CPU cores and 6 times faster than the Lammps' C codes based on PuReMD in terms of the simulation time per time-step averaged over 100 steps. GMD-Reax could be used as a new and efficient computational tool for exploiting very complex molecular reactions via ReaxFF MD simulation on desktop workstations. Copyright © 2013 Elsevier Inc. All rights reserved.

Ionic Liquids as Solvents for Rhodium and Platinum Catalysts Used in Hydrosilylation Reaction

Directory of Open Access Journals (Sweden)

Witold Zielinski

2016-08-01

Full Text Available A group of imidazolium and pyridinium based ionic liquids has been synthetized, and their ability to dissolve and activate the catalysts used in hydrosilylation reaction of 1-octane and 1,1,1,3,5,5,5-heptamethyltrisiloxane was investigated. An organometallic catalyst as well as inorganic complexes of platinum and rhodium dissolved in ionic liquids were used, forming liquid solutions not miscible with the substrates or with the products of the reaction. The results show that application of such a simple biphasic catalytic system enables reuse of ionic liquid phase with catalysts in multiple reaction cycles reducing the costs and decreasing the amount of catalyst needed per mole of product.

Direct Measurements of Half-Cycle Reaction Heats during Atomic Layer Deposition by Calorimetry

Energy Technology Data Exchange (ETDEWEB)

Lownsbury, James M. [Department; Gladden, James A. [Department; Campbell, Charles T. [Department; Department; Kim, In Soo [Materials; Martinson, Alex B. F. [Materials

2017-10-05

We introduce a new high-temperature adsorption calorimeter that approaches the ideal limit of a heat detector whereby the signal at any time is proportional to the heat power being delivered to the sample and prove its sensitivity for measuring pulse-to-pulse heats of half-reactions during atomic layer deposition (ALD) at 400 K. The heat dynamics of amorphous Al2O3 growth via sequential self-limiting surface reaction of trimethylaluminum (TMA) and H2O is clearly resolved. Calibration enables quantitation of the exothermic TMA and H2O half-reactions with high precision, -343 kJ/mol TMA and -251 kJ/mol H2O, respectively. A time resolution better than 1 ms is demonstrated, allowing for the deconvolution of at least two distinct surface reactions during TMA microdosing. It is further demonstrated that this method can provide the heat of reaction versus extent of reaction during each precursors half-reaction, thus providing even richer mechanistic information on the surface processes involved. The broad applicability of this novel calorimeter is demonstrated through excellent signal-to-noise ratios of less exothermic ALD half-reactions to produce TiO2 and MnO.

Organising to Enable Innovation

DEFF Research Database (Denmark)

Brink, Tove

2016-01-01

The purpose of this conceptual paper is to reveal how organising can enable innovation across organisational layers and organisational units. This approach calls for a cross-disciplinary literature review. The aim is to provide an integrated understanding of innovation in an organisational approach....... The findings reveal a continous organising process between individual/ team creativity and organisational structures/control to enable innovation at firm level. Organising provides a dynamic approach and contains the integrated reconstruction of creativity, structures and boundaries for enhanced balance...... of explorative and exploitative learning in uncertain environments. Shedding light on the cross-disciplinary theories to organise innovation provides a contribution at the firm level to enable innovation....

Physiological environment induce quick response - slow exhaustion reactions

Directory of Open Access Journals (Sweden)

Noriko eHiroi

2011-09-01

Full Text Available In vivo environments are highly crowded and inhomogeneous, which may affect reaction processes in cells. In this study we examined the effects of intracellular crowding and an inhomogeneity on the behavior of in vivo reactions by calculating the spectral dimension (ds, which can be translated into the reaction rate function. We compared estimates of anomaly parameters obtained from Fluorescence Correlation Spectroscopy (FCS data with fractal dimensions derived from Transmission Electron Microscopy (TEM image analysis. FCS analysis indicated that the anomalous property was linked to physiological structure. Subsequent TEM analysis provided an in vivo illustration; soluble molecules likely percolate between intracellular clusters, which are constructed in a self-organizing manner. We estimated a cytoplasmic spectral dimension ds to be 1.39 ± 0.084. This result suggests that in vivo reactions initially run faster than the same reactions in a homogeneous space; this conclusion is consistent with the anomalous character indicated by FCS analysis. We further showed that these results were compatible with our Monte-Carlo simulation in which the anomalous behavior of mobile molecules correlates with the intracellular environment, leading to description as a percolation cluster, as demonstrated using TEM analysis. We confirmed by the simulation that the above-mentioned in vivo like properties are different from those of homogeneously concentrated environments. Additionally, simulation results indicated that crowding level of an environment might affect diffusion rate of reactant. Such knowledge of the spatial information enables us to construct realistic models for in vivo diffusion and reaction systems.

Green synthesis of tetrahydrobenzo[b]Pyrans by microwave assisted multi-component one-pot reactions in PEG-400.

Science.gov (United States)

Feng, Chun; Wang, Qiuyan; Lu, Cuifen; Yang, Guichun; Chen, Zuxing

2012-01-01

Polyethylene glycol is found to be a nontoxic and recyclable reaction medium for the microwave-assisted, multi-component one-pot reactions of aromatic aldehydes with ethyl-2-cyanoacetate and 1,3-cyclohexanedione or 5,5- dimethyl-1,3-cyclohexanedione in the presence of piperidine. This environmentally friendly microwave protocol offers ease of operation and enables recyclability of reaction medium and synthesis of a variety of substituted tetrahydrobenzo[b]pyran derivatives. It is an efficient, promising, and green synthetic strategy to construct tetrahydrobenzo[b]pyran skeleton.

Aquifer storage and recovery: recent hydrogeological advances and system performance.

Science.gov (United States)

Maliva, Robert G; Guo, Weixing; Missimer, Thomas M

2006-12-01

Aquifer storage and recovery (ASR) is part of the solution to the global problem of managing water resources to meet existing and future freshwater demands. However, the metaphoric "ASR bubble" has been burst with the realization that ASR systems are more physically and chemically complex than the general conceptualization. Aquifer heterogeneity and fluid-rock interactions can greatly affect ASR system performance. The results of modeling studies and field experiences indicate that more sophisticated data collection and solute-transport modeling are required to predict how stored water will migrate in heterogeneous aquifers and how fluid-rock interactions will affect the quality of stored water. It has been well-demonstrated, by historic experience, that ASR systems can provide very large volumes of storage at a lesser cost than other options. The challenges moving forward are to improve the success rate of ASR systems, optimize system performance, and set expectations appropriately.

Association between adolescent suicide and sociodemographic factors in Chile: cross-sectional ecological study.

Science.gov (United States)

Cuadrado, Cristóbal; Zitko, Pedro; Covarrubias, Trinidad; Hernandez, Dunia; Sade, Cristina; Klein, Carolina; Gomez, Alejandro

2015-01-01

Adolescent suicide rates (ASR) are a matter of concern worldwide. Causes of this trend are not understood and could correspond to socioeconomic factors such as inequality. To investigate sociodemographic variables related to ASR, particularly the potential association with indicators of socioeconomic inequality. Cross-sectional ecological study analyzing data from 29 health districts with univariate and multivariable multilevel Poisson models. ASR were higher in male adolescents and at increasing age. No association was found between ASR and inequality (Gini coefficient and 20/20 ratio). Analysis revealed that living in a single-parent family is associated with ASR. The usual demographic patterns of adolescent suicide apply in Chile. An emerging variable of interest is single-parent family. No cross-sectional association between social inequality and ASR was found based on conflicting evidence. These results should be explored in future prospective population studies to further understand associated social factors.

The Synthesis, Characterization and Catalytic Reaction Studies of Monodisperse Platinum Nanoparticles in Mesoporous Oxide Materials

Energy Technology Data Exchange (ETDEWEB)

Rioux, Robert M. [Univ. of California, Berkeley, CA (United States)

2006-01-01

A catalyst design program was implemented in which Pt nanoparticles, either of monodisperse size and/or shape were synthesized, characterized and studied in a number of hydrocarbon conversion reactions. The novel preparation of these materials enables exquisite control over their physical and chemical properties that could be controlled (and therefore rationally tuned) during synthesis. The ability to synthesize rather than prepare catalysts followed by thorough characterization enable accurate structure-function relationships to be elucidated. This thesis emphasizes all three aspects of catalyst design: synthesis, characterization and reactivity studies. The precise control of metal nanoparticle size, surface structure and composition may enable the development of highly active and selective heterogeneous catalysts.

Term clouds as surrogates for user generated speech

NARCIS (Netherlands)

Tsagkias, M.; Larson, M.; de Rijke, M.; Myaeng, S.-H.; Oard, D.W.; Sebastiani, F.; Chua, T.-S.; Leong, M.-K.

2008-01-01

User generated spoken audio remains a challenge for Automatic Speech Recognition (ASR) technology and content-based audio surrogates derived from ASR-transcripts must be error robust. An investigation of the use of term clouds as surrogates for podcasts demonstrates that ASR term clouds closely

Speech Recognition on Mobile Devices

DEFF Research Database (Denmark)

Tan, Zheng-Hua; Lindberg, Børge

2010-01-01

in the mobile context covering motivations, challenges, fundamental techniques and applications. Three ASR architectures are introduced: embedded speech recognition, distributed speech recognition and network speech recognition. Their pros and cons and implementation issues are discussed. Applications within......The enthusiasm of deploying automatic speech recognition (ASR) on mobile devices is driven both by remarkable advances in ASR technology and by the demand for efficient user interfaces on such devices as mobile phones and personal digital assistants (PDAs). This chapter presents an overview of ASR...

ASTERIA: Arcsecond Space Telescope Enabling Research in Astrophysics

Science.gov (United States)

Knapp, M.; Seager, S.; Smith, M. W.; Pong, C. M.

2017-12-01

ASTERIA (Arcsecond Space Telescope Enabling Research in Astrophysics) is a technology demonstration and opportunistic science mission to advance the state of the art in CubeSat capabilities for astrophysical measurements. The goal of ASTERIA is to achieve arcsecond-level line of sight pointing error and highly stable focal plane temperature control. These technologies will enable precision photometry, i.e. the careful measurement of stellar brightness over time. This in turn provides a way to study stellar activity, transiting exoplanets, and other astrophysical phenomena, both during the ASTERIA mission and in future CubeSat constellations. ASTERIA is a 6U CubeSat (roughly 10 x 20 x 30 cm, 12 kg) that will operate in low-Earth orbit. The payload consists of a lens and baffle assembly, a CMOS imager, and a two-axis piezoelectric positioning stage on which the focal plane is mounted. A set of commercial reaction wheels provides coarse attitude control. Fine pointing control is achieved by tracking a set of guide stars on the CMOS sensor and moving the piezoelectric stage to compensate for residual pointing errors. Precision thermal control is achieved by isolating the payload from the spacecraft bus, passively cooling the detector, and using trim heaters to perform small temperature corrections over the course of an observation. The ASTERIA project is a collaboration with MIT and is funded at JPL through the Phaeton Program for training early career employees. Flight hardware was delivered in June 2017, with launch expected in August 2017 and deployment targeted for October 2017.

Adult sex ratio variation: implications for breeding system evolution.

Science.gov (United States)

Székely, T; Weissing, F J; Komdeur, J

2014-08-01

Adult sex ratio (ASR) exhibits immense variation in nature, although neither the causes nor the implications of this variation are fully understood. According to theory, the ASR is expected to influence sex roles and breeding systems, as the rarer sex in the population has more potential partners to mate with than the more common sex. Changes in mate choice, mating systems and parental care suggest that the ASR does influence breeding behaviour, although there is a need for more tests, especially experimental ones. In the context of breeding system evolution, the focus is currently on operational sex ratios (OSRs). We argue that the ASR plays a role of similar importance and urge researchers to study the ASR and the OSR side by side. Finally, we plead for a dynamic view of breeding system evolution with feedbacks between mating, parenting, OSR and ASR on both ecological and evolutionary time scales. © 2014 The Authors. Journal of Evolutionary Biology © 2014 European Society For Evolutionary Biology.

The Nordic Housing Enabler

DEFF Research Database (Denmark)

Helle, Tina; Slaug, Bjørn; Brandt, Åse

2010-01-01

This study addresses development of a content valid cross-Nordic version of the Housing Enabler and investigation of its inter-rater reliability when used in occupational therapy rating situations, involving occupational therapists, clients and their home environments. The instrument was translated...... from the original Swedish version of the Housing Enabler, and adapted according to accessibility norms and guidelines for housing design in Sweden, Denmark, Finland and Iceland. This iterative process involved occupational therapists, architects, building engineers and professional translators......, resulting in the Nordic Housing Enabler. For reliability testing, the sampling strategy and data collection procedures used were the same in all countries. Twenty voluntary occupational therapists, pair-wise but independently from each other, collected data from 106 cases by means of the Nordic Housing...

Corrosion potential detection method, potential characteristic simulation method for reaction rate and plant monitoring system using the same

International Nuclear Information System (INIS)

Sakai, Masanori; Onaka, Noriyuki; Takahashi, Tatsuya; Yamanaka, Hiroshi.

1995-01-01

In a calculation controlling device for a plant monitoring system, concentrations of materials concerning reaction materials in a certain state of a reaction process, and an actually measured value for the potential of a material in this state are substituted into a reaction rate equation obtained in accordance with a reaction process model. With such procedures, a relation between the reaction rate (current value) and the potential of the material can be obtained. A potential at which the reaction rates of an anode reaction and a cathode reaction contained in a corrosion reaction are made equal is determined by a numerical value calculation, based on an electrochemical hybrid potential logic by using the reaction rate equation, the reaction rate information relative to the corrosion reaction of the material and the concentration of the material concerning the corrosion reaction is obtained by a numerical value calculation. Then, simulation for the corrosion potential is enabled based on the handling corresponding to the actual reaction. Further, even for a portion which can not be measured actually, the corrosion potential can be recognized by simulation. (N.H.)

Chemoselective N-arylation of aminobenzamides via copper catalysed Chan-Evans-Lam reactions.

Science.gov (United States)

Liu, Shuai; Zu, Weisai; Zhang, Jinli; Xu, Liang

2017-11-15

Chemoselective N-arylation of unprotected aminobenzamides was achieved via Cu-catalysed Chan-Evans-Lam cross-coupling with aryl boronic acids for the first time. Simple copper catalysts enable the selective arylation of amino groups in ortho/meta/para-aminobenzamides under open-flask conditions. The reactions were scalable and compatible with a wide range of functional groups.

Effects of aquifer storage and recovery activities on water quality in the Little Arkansas River and Equus Beds Aquifer, south-central Kansas, 2011–14

Science.gov (United States)

Stone, Mandy L.; Garrett, Jessica D.; Poulton, Barry C.; Ziegler, Andrew C.

2016-07-18

The Equus Beds aquifer in south-central Kansas is aprimary water source for the city of Wichita. The Equus Beds aquifer storage and recovery (ASR) project was developed to help the city of Wichita meet increasing current (2016) and future water demands. The Equus Beds ASR project pumps water out of the Little Arkansas River during above-base flow conditions, treats it using drinking-water quality standards as a guideline, and recharges it into the Equus Beds aquifer for later use. Phase II of the Equus Beds ASR project currently (2016) includes a river intake facility and a surface-water treatment facility with a 30 million gallon per day capacity. Water diverted from the Little Arkansas River is delivered to an adjacent presedimentation basin for solids removal. Subsequently, waste from the surface-water treatment facility and the presedimentation basin is returned to the Little Arkansas River through a residuals return line. The U.S. Geological Survey, in cooperation with the city of Wichita, developed and implemented a hydrobiological monitoring program as part of the ASR project to characterize and quantify the effects of aquifer storage and recovery activities on the Little Arkansas River and Equus Beds aquifer water quality.Data were collected from 2 surface-water sites (one upstream and one downstream from the residuals return line), 1 residuals return line site, and 2 groundwater well sites (each having a shallow and deep part): the Little Arkansas River upstream from the ASR facility near Sedgwick, Kansas (upstream surface-water site 375350097262800), about 0.03 mile (mi) upstream from the residuals return line site; the Little Arkansas River near Sedgwick, Kans. (downstream surface-water site 07144100), about 1.68 mi downstream from the residuals return line site; discharge from the Little Arkansas River ASR facility near Sedgwick, Kansas (residuals return line site 375348097262800); 25S 01 W 07BCCC01 SMW–S11 near CW36 (MW–7 shallow groundwater well

Ontology aided modeling of organic reaction mechanisms with flexible and fragment based XML markup procedures.

Science.gov (United States)

Sankar, Punnaivanam; Aghila, Gnanasekaran

2007-01-01

The mechanism models for primary organic reactions encoding the structural fragments undergoing substitution, addition, elimination, and rearrangements are developed. In the proposed models, each and every structural component of mechanistic pathways is represented with flexible and fragment based markup technique in XML syntax. A significant feature of the system is the encoding of the electron movements along with the other components like charges, partial charges, half bonded species, lone pair electrons, free radicals, reaction arrows, etc. needed for a complete representation of reaction mechanism. The rendering of reaction schemes described with the proposed methodology is achieved with a concise XML extension language interoperating with the structure markup. The reaction scheme is visualized as 2D graphics in a browser by converting them into SVG documents enabling the desired layouts normally perceived by the chemists conventionally. An automatic representation of the complex patterns of the reaction mechanism is achieved by reusing the knowledge in chemical ontologies and developing artificial intelligence components in terms of axioms.

Quantitative modeling of the reaction/diffusion kinetics of two-chemistry photopolymers

Science.gov (United States)

Kowalski, Benjamin Andrew

Optically driven diffusion in photopolymers is an appealing material platform for a broad range of applications, in which the recorded refractive index patterns serve either as images (e.g. data storage, display holography) or as optical elements (e.g. custom GRIN components, integrated optical devices). A quantitative understanding of the reaction/diffusion kinetics is difficult to obtain directly, but is nevertheless necessary in order to fully exploit the wide array of design freedoms in these materials. A general strategy for characterizing these kinetics is proposed, in which key processes are decoupled and independently measured. This strategy enables prediction of a material's potential refractive index change, solely on the basis of its chemical components. The degree to which a material does not reach this potential reveals the fraction of monomer that has participated in unwanted reactions, reducing spatial resolution and dynamic range. This approach is demonstrated for a model material similar to commercial media, achieving quantitative predictions of index response over three orders of exposure dose (~1 to ~103 mJ cm-2) and three orders of feature size (0.35 to 500 microns). The resulting insights enable guided, rational design of new material formulations with demonstrated performance improvement.

Study of the {sup 18}F(p,{alpha}){sup 15}O reaction by transfer reaction for application to {gamma}-ray emission from Novae; Etude de la reaction {sup 18}F(p,{alpha}){sup 15}O par reaction de transfert pour application a l'emission {gamma} des Novae

Energy Technology Data Exchange (ETDEWEB)

Sereville, N. de

2003-12-15

The gamma emission from novae at/or below 511 keV is due to the annihilation of the positrons produced in the beta + decay of F{sup 18}. The interpretation of this emission through observations made by the Integral satellite for instance, requires a good knowledge of F{sup 18} nucleosynthesis. The reaction rate of the F{sup 18}(p,{alpha})O{sup 15} is the least known because of 2 resonances corresponding to the levels 6.419 and 6.449 MeV of Ne{sup 19} whose proton widths are completely unknown. We have determined these proton widths via the study of one-nucleon transfer reaction D(F{sup 18},p{alpha})N{sup 15} populating equivalent levels in F{sup 19}. We have used a 14 MeV F{sup 18} radioactive beam on a CD{sub 2} target for inverse kinematics studies and the multi-track silicon detector LEDA. A DWBA (Distorted Wave Bound Approximation) has enabled us to determine the proton width of both resonances and has showed that they have an impact in the calculation of the reaction rate. A thorough study of the remaining uncertainties of the reaction rate has been undertaken, particularly for those concerning interferences between these resonances and a higher resonance of Ne{sup 19}. The reaction rate that we have obtained is very similar to the previous rate used but now it rests on a more solid basis.

Speech Recognition for the iCub Platform

Directory of Open Access Journals (Sweden)

Bertrand Higy

2018-02-01

Full Text Available This paper describes open source software (available at https://github.com/robotology/natural-speech to build automatic speech recognition (ASR systems and run them within the YARP platform. The toolkit is designed (i to allow non-ASR experts to easily create their own ASR system and run it on iCub and (ii to build deep learning-based models specifically addressing the main challenges an ASR system faces in the context of verbal human–iCub interactions. The toolkit mostly consists of Python, C++ code and shell scripts integrated in YARP. As additional contribution, a second codebase (written in Matlab is provided for more expert ASR users who want to experiment with bio-inspired and developmental learning-inspired ASR systems. Specifically, we provide code for two distinct kinds of speech recognition: “articulatory” and “unsupervised” speech recognition. The first is largely inspired by influential neurobiological theories of speech perception which assume speech perception to be mediated by brain motor cortex activities. Our articulatory systems have been shown to outperform strong deep learning-based baselines. The second type of recognition systems, the “unsupervised” systems, do not use any supervised information (contrary to most ASR systems, including our articulatory systems. To some extent, they mimic an infant who has to discover the basic speech units of a language by herself. In addition, we provide resources consisting of pre-trained deep learning models for ASR, and a 2.5-h speech dataset of spoken commands, the VoCub dataset, which can be used to adapt an ASR system to the typical acoustic environments in which iCub operates.

New cementitious system: The case of glass frit

Science.gov (United States)

Fares, Galal

Canada ranks as the world's third largest aluminium producer, and more than 80% of its aluminum industry is concentrated in Quebec. However, the spent pot-liner waste produced by the aluminium smelters accumulates with time into a considerable amount threatening the Canadian environment, especially that of Quebec. A new-engineered material, known as glass fit (GF) has been developed through the chemical treatment of such waste. GF shows potential hydraulic and pozzolanic properties. GF has been studied as a binder itself and as a supplementary cementitious material (SCM). The activation of industrial by-products into clinkerless binders is a novel trend that has attracted the attention of many researchers. The activation of GF into binder to produce paste, mortar and concrete was the first aim of this study. Potential activation of GF using different types and combinations of inorganic activators and temperatures of activation was successfully achieved and high strength concretes were obtained. Moreover, mortars with high compressive strength were obtained with well-formulated activators at ambient temperature. On the other hand, the utilization of industrial by-products as a partial replacement for cement in concrete is a widespread practice. As GF contains a high concentration of sodium in its structure, there is a concern as to the effect of sodium content on the development of alkali-silica reaction (ASR) expansion of concrete. Therefore, this study also aimed to investigate the effect of GF sodium content in the enhancement of ASR expansion and to find new synergistic mixtures that can effectively mitigate ASR expansion in the long term. We observed that ASR expansion decreases with the replacement level of GF. Different synergistic diagrams containing known SCM (silica fume, fly ash, and slag) were achieved from which different effective mixtures can effectively alleviate ASR expansion. In conclusion, the use of GF in the manufacture of concrete has great

A computational framework for the automated construction of glycosylation reaction networks.

Science.gov (United States)

Liu, Gang; Neelamegham, Sriram

2014-01-01

Glycosylation is among the most common and complex post-translational modifications identified to date. It proceeds through the catalytic action of multiple enzyme families that include the glycosyltransferases that add monosaccharides to growing glycans, and glycosidases which remove sugar residues to trim glycans. The expression level and specificity of these enzymes, in part, regulate the glycan distribution or glycome of specific cell/tissue systems. Currently, there is no systematic method to describe the enzymes and cellular reaction networks that catalyze glycosylation. To address this limitation, we present a streamlined machine-readable definition for the glycosylating enzymes and additional methodologies to construct and analyze glycosylation reaction networks. In this computational framework, the enzyme class is systematically designed to store detailed specificity data such as enzymatic functional group, linkage and substrate specificity. The new classes and their associated functions enable both single-reaction inference and automated full network reconstruction, when given a list of reactants and/or products along with the enzymes present in the system. In addition, graph theory is used to support functions that map the connectivity between two or more species in a network, and that generate subset models to identify rate-limiting steps regulating glycan biosynthesis. Finally, this framework allows the synthesis of biochemical reaction networks using mass spectrometry (MS) data. The features described above are illustrated using three case studies that examine: i) O-linked glycan biosynthesis during the construction of functional selectin-ligands; ii) automated N-linked glycosylation pathway construction; and iii) the handling and analysis of glycomics based MS data. Overall, the new computational framework enables automated glycosylation network model construction and analysis by integrating knowledge of glycan structure and enzyme biochemistry. All

A computational framework for the automated construction of glycosylation reaction networks.

Directory of Open Access Journals (Sweden)

Gang Liu

Full Text Available Glycosylation is among the most common and complex post-translational modifications identified to date. It proceeds through the catalytic action of multiple enzyme families that include the glycosyltransferases that add monosaccharides to growing glycans, and glycosidases which remove sugar residues to trim glycans. The expression level and specificity of these enzymes, in part, regulate the glycan distribution or glycome of specific cell/tissue systems. Currently, there is no systematic method to describe the enzymes and cellular reaction networks that catalyze glycosylation. To address this limitation, we present a streamlined machine-readable definition for the glycosylating enzymes and additional methodologies to construct and analyze glycosylation reaction networks. In this computational framework, the enzyme class is systematically designed to store detailed specificity data such as enzymatic functional group, linkage and substrate specificity. The new classes and their associated functions enable both single-reaction inference and automated full network reconstruction, when given a list of reactants and/or products along with the enzymes present in the system. In addition, graph theory is used to support functions that map the connectivity between two or more species in a network, and that generate subset models to identify rate-limiting steps regulating glycan biosynthesis. Finally, this framework allows the synthesis of biochemical reaction networks using mass spectrometry (MS data. The features described above are illustrated using three case studies that examine: i O-linked glycan biosynthesis during the construction of functional selectin-ligands; ii automated N-linked glycosylation pathway construction; and iii the handling and analysis of glycomics based MS data. Overall, the new computational framework enables automated glycosylation network model construction and analysis by integrating knowledge of glycan structure and enzyme

Supersonic molecular beam experiments on surface chemical reactions.

Science.gov (United States)

Okada, Michio

2014-10-01

The interaction of a molecule and a surface is important in various fields, and in particular in complex systems like biomaterials and their related chemistry. However, the detailed understanding of the elementary steps in the surface chemistry, for example, stereodynamics, is still insufficient even for simple model systems. In this Personal Account, I review our recent studies of chemical reactions on single-crystalline Cu and Si surfaces induced by hyperthermal oxygen molecular beams and by oriented molecular beams, respectively. Studies of oxide formation on Cu induced by hyperthermal molecular beams demonstrate a significant role of the translational energy of the incident molecules. The use of hyperthermal molecular beams enables us to open up new chemical reaction paths specific for the hyperthermal energy region, and to develop new methods for the fabrication of thin films. On the other hand, oriented molecular beams also demonstrate the possibility of understanding surface chemical reactions in detail by varying the orientation of the incident molecules. The steric effects found on Si surfaces hint at new ways of material fabrication on Si surfaces. Controlling the initial conditions of incoming molecules is a powerful tool for finely monitoring the elementary step of the surface chemical reactions and creating new materials on surfaces. Copyright © 2014 The Chemical Society of Japan and Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Determination of thermodynamic parameters for enolization reaction of malonic and metylmalonic acids by using quartz crystal microbalance

Directory of Open Access Journals (Sweden)

Minoru Yoshimoto

2016-06-01

Full Text Available We investigated the process of a bromination reaction of malonic acid and methylmalonic acid in the Belousov-Zhabotinsky reaction by using a quartz crystal microbalance (QCM. The process involves an enolization reaction as a rate-determining step. We found that, in the step, the variation of Br2 concentration induced an exactly quantitative shift of a resonant frequency of the QCM, based on the change of the surface mass on the QCM and the solution viscosity and density. This new finding enabled us to estimate the reaction rate constants and the thermodynamic parameters of the enolization reaction due to a QCM measurement. The values measured by the QCM were in good agreement with those measured by a UV-spectrophotometer. As a result, we succeeded to develop a new measurement method of a nonlinear chemical reaction.

Nuclear reactions and the synthesis of new species

International Nuclear Information System (INIS)

Anon.

1983-01-01

Targets of relatively short-lived, neutron-rich transplutonium isotopes, such as 254 Es, which are produced by the HFIR/TRU, when combined with the capabilities of modern heavy-ion accelerators, offer a unique possibility to expand our knowledge of chemical elements and atomic nuclei toward the limits of nuclear stability. This knowledge should enable us to delineate the forces that eventually terminate the periodic table at its upper end. Specifically, the panel concludes that significant research opportunities exist in several areas, which are highlighted below: Nucleon-transfer reactions between light heavy-ion projectiles (such as 18 O, 22 Ne, or 48 Ca) and 254 Es targets will give access to a completely uncharted region of neutron-rich isotopes. Cold-fusion reactions of 48 Ca projectiles with /sup 254,255/Es targets should yield superheavy nuclei with neutron numbers very close to the predicted closed neutron shell at N = 184

Dropping and semimicrotest glass reactions on beryllium, lenthanum, vanadyl and uranyl cations with synthetic organic dyes and their mutual determination in binary mixtures

International Nuclear Information System (INIS)

Shemyakin, F.M.; Novikova, A.A.; Reshetnyak, V.Yu.; Teplyakov, G.K.; Nekrasov, E.L.

1978-01-01

Coloured reactions for beryllium, lanthanum, vanadyl and uranyl cations with a number of organic dyes, have been studied. These reactions are used in dropping analysis on papers, impregnated with relevant dyes, and for semimicro-test glass reactions on the above cations. Sensitivity and maximum permissible dilution have been determined for each of the reactions. Mutual determinations of relevant couples of the above cations have been performed. It is shown, that such binary mixtures enable to freely open relevant cations

Evaluation of heavy metals in hazardous automobile shredder residue thermal residue and immobilization with novel nano-size calcium dispersed reagent

International Nuclear Information System (INIS)

Lee, Chi-Hyeon; Truc, Nguyen Thi Thanh; Lee, Byeong-Kyu; Mitoma, Yoshiharu; Mallampati, Srinivasa Reddy

2015-01-01

Graphical abstract: Schematic representation of possible mechanisms determining the heavy metals immobilization efficiencyof ASR dust/thermal residues after treatment with nanometallic Ca/CaO/PO 4 . - Highlights: • Nanometallic Ca/CaO/PO 4 for heavy metals immobilization in ASR residue. • Heavy metals immobilization in dry condition attained about 95–100%. • Remaining heavy metals were lower than the Korean standard regulatory limit. • The amounts of heavy metals detectable on the ASR dust surface decreased. • Nanometallic Ca/CaO/PO 4 has a promising potential for heavy metal remediation. - Abstract: This study was conducted to synthesize and apply a nano-size calcium dispersed reagent as an immobilization material for heavy metal-contaminated automobile shredder residues (ASR) dust/thermal residues in dry condition. Simple mixing with a nanometallic Ca/CaO/PO 4 dispersion mixture immobilized 95–100% of heavy metals in ASR dust/thermal residues (including bottom ash, cavity ash, boiler and bag filter ash). The quantity of heavy metals leached from thermal residues after treatment by nanometallic Ca/CaO/PO 4 was lower than the Korean standard regulatory limit for hazardous waste landfills. The morphology and elemental composition of the nanometallic Ca/CaO-treated ASR residue were characterized by field emission scanning election microscopy combined with electron dispersive spectroscopy (FE-SEM/EDS). The results indicated that the amounts of heavy metals detectable on the ASR thermal residue surface decreased and the Ca/PO 4 mass percent increased. X-ray diffraction (XRD) pattern analysis indicated that the main fraction of enclosed/bound materials on ASR residue included Ca/PO 4 − associated crystalline complexes, and that immobile Ca/PO 4 salts remarkably inhibited the desorption of heavy metals from ASR residues. These results support the potential use of nanometallic Ca/CaO/PO 4 as a simple, suitable and highly efficient material for the gentle

Adult sex ratios and their implications for cooperative breeding in birds.

Science.gov (United States)

Komdeur, Jan; Székely, Tamás; Long, Xiaoyan; Kingma, Sjouke A

2017-09-19

Cooperative breeding is a form of breeding system where in addition to a core breeding pair, one or more usually non-breeding individuals provide offspring care. Cooperative breeding is widespread in birds, but its origin and maintenance in contemporary populations are debated. Although deviations in adult sex ratio (ASR, the proportion of males in the adult population) have been hypothesized to influence the occurrence of cooperative breeding because of the resulting surplus of one sex and limited availability of breeding partners, this hypothesis has not been tested across a wide range of taxa. By using data from 188 bird species and phylogenetically controlled analyses, we show that cooperatively breeding species have more male-biased ASRs than non-cooperative species. Importantly, ASR predicts helper sex ratio: in species with more male-biased ASR, helper sex ratio is also more male biased. We also show that offspring sex ratios do not predict ASRs, so that the skewed ASRs emerge during the period when individuals aim to obtain a breeding position or later during adulthood. In line with this result, we found that ASR (among both cooperatively and non-cooperatively breeding species) is inversely related to sex bias in dispersal distance, suggesting that the cost of dispersal is more severe for the further-dispersing sex. As females usually disperse further in birds, this explains the generally male-biased ASR, and in combination with benefits of philopatry for males, this probably explains why ASR is more biased in cooperatively breeding species. Taken together, our results suggest that a sex bias in helping in cooperatively breeding species relates to biased ASRs. We propose that this relationship is driven by sex-specific costs and benefits of dispersal and helping, as well as other demographic factors. Future phylogenetic comparative and experimental work is needed to establish how this relationship emerges.This article is part of the themed issue 'Adult sex

Evaluation of heavy metals in hazardous automobile shredder residue thermal residue and immobilization with novel nano-size calcium dispersed reagent

Energy Technology Data Exchange (ETDEWEB)

Lee, Chi-Hyeon; Truc, Nguyen Thi Thanh [Department of Civil and Environmental Engineering, University of Ulsan, Daehak-ro 93, Nam-gu, Ulsan 680-749 (Korea, Republic of); Lee, Byeong-Kyu, E-mail: bklee@ulsan.ac.kr [Department of Civil and Environmental Engineering, University of Ulsan, Daehak-ro 93, Nam-gu, Ulsan 680-749 (Korea, Republic of); Mitoma, Yoshiharu [Department of Environmental Sciences, Prefectural University of Hiroshima, 562 Nanatsuka-Cho Shobara City, Hiroshima 727-0023 (Japan); Mallampati, Srinivasa Reddy, E-mail: srireddys@ulsan.ac.kr [Department of Civil and Environmental Engineering, University of Ulsan, Daehak-ro 93, Nam-gu, Ulsan 680-749 (Korea, Republic of)

2015-10-15

Graphical abstract: Schematic representation of possible mechanisms determining the heavy metals immobilization efficiencyof ASR dust/thermal residues after treatment with nanometallic Ca/CaO/PO{sub 4}. - Highlights: • Nanometallic Ca/CaO/PO{sub 4} for heavy metals immobilization in ASR residue. • Heavy metals immobilization in dry condition attained about 95–100%. • Remaining heavy metals were lower than the Korean standard regulatory limit. • The amounts of heavy metals detectable on the ASR dust surface decreased. • Nanometallic Ca/CaO/PO{sub 4} has a promising potential for heavy metal remediation. - Abstract: This study was conducted to synthesize and apply a nano-size calcium dispersed reagent as an immobilization material for heavy metal-contaminated automobile shredder residues (ASR) dust/thermal residues in dry condition. Simple mixing with a nanometallic Ca/CaO/PO{sub 4} dispersion mixture immobilized 95–100% of heavy metals in ASR dust/thermal residues (including bottom ash, cavity ash, boiler and bag filter ash). The quantity of heavy metals leached from thermal residues after treatment by nanometallic Ca/CaO/PO{sub 4} was lower than the Korean standard regulatory limit for hazardous waste landfills. The morphology and elemental composition of the nanometallic Ca/CaO-treated ASR residue were characterized by field emission scanning election microscopy combined with electron dispersive spectroscopy (FE-SEM/EDS). The results indicated that the amounts of heavy metals detectable on the ASR thermal residue surface decreased and the Ca/PO{sub 4} mass percent increased. X-ray diffraction (XRD) pattern analysis indicated that the main fraction of enclosed/bound materials on ASR residue included Ca/PO{sub 4}− associated crystalline complexes, and that immobile Ca/PO{sub 4} salts remarkably inhibited the desorption of heavy metals from ASR residues. These results support the potential use of nanometallic Ca/CaO/PO{sub 4} as a simple, suitable and

Estudo das reações alcalis-sílica associadas ao uso da lama vermelha em argamassas colantes e de revestimento Study of alkali-silica reactions associated with the use of red mud in plastering mortars

Directory of Open Access Journals (Sweden)

D. V. Ribeiro

2012-03-01

Full Text Available A incorporação de resíduos industriais em matrizes cimentícias, com o objetivo de inertização, é uma alternativa de reutilização que tem sido bastante estudada nos últimos anos. No presente trabalho, estudou-se a lama vermelha, resíduo sólido gerado no processo de beneficiamento da bauxita e que, devido a seu elevado pH, é considerado "perigoso". Apesar do uso deste resíduo ter sido reportada em trabalhos anteriores, algumas patologias podem estar associadas à sua utilização, devido à elevada concentração de íons alcalinos (principalmente o sódio, favorecendo as reações álcalis-sílica (RAS e às dificuldades de moldagem (reologia devido à elevada finura deste resíduo. Apesar destes prováveis problemas provenientes do uso indiscriminado da lama vermelha como adição às argamassas e concretos, ainda são poucas as pesquisas que os contemplam, sendo este o foco do presente trabalho. Foram verificadas as propriedades reológicas das argamassas, utilizando um reômetro e a avaliação da RAS, de acordo com as normas ASTM C 1260-07 e NBR 11582. Os resultados obtidos foram bastante satisfatórios quanto ao comportamento das argamassas frente à RAS, apesar da elevada concentração de álcalis na lama vermelha, com grande influência reológica.The incorporation of industrial wastes in cementitious matrices, with the goal of inertization, is an alternative of reuse that has been extensively studied in recent years. In this paper, the red mud, the main waste generated in aluminum and alumina production by the Bayer process from bauxite ore and considered "hazardous" due to the high pH, was studied. Despite the use of this waste have been reported in previous studies, some pathologies may be associated with its use, due to high concentration of alkali ions (mainly sodium, favoring the alkali-silica reactions (ASR and the difficulties of molding (rheology because of high fineness of this waste. Despite these potential

Ligand-Enabled γ-C(sp(3))-H Olefination of Amines: En Route to Pyrrolidines.

Science.gov (United States)

Jiang, Heng; He, Jian; Liu, Tao; Yu, Jin-Quan

2016-02-17

Pd(II)-catalyzed olefination of γ-C(sp(3))-H bonds of triflyl (Tf) and 4-nitrobenzenesulfonyl (Ns) protected amines is achieved. Subsequent aza-Wacker oxidative cyclization or conjugate addition of the olefinated intermediates provides a variety of C-2 alkylated pyrrolidines. Three pyridine- and quinoline-based ligands are developed to match different classes of amine substrates, demonstrating a rare example of ligand-enabled C(sp(3))-H olefination reactions. The use of Ns protecting group to direct C(sp(3))-H activation of alkyl amines is also a significant step toward practical C-H functionalizations of alkyl amines.

Effect of known clad and pellet reactions on the GEC ESL design of dry vault store

International Nuclear Information System (INIS)

Wheeler, D.

1984-01-01

The more important clad and pellet reactions and their temperature dependence are briefly reviewed, followed by an outline of the economical GEC ESL interim spent fuel storage concept that highlights: The ability of the concept to reduce the temperature of the fuel to values where the clad and pellet reactions are minimal. The containment philosophy that enables any consequences of the reactions to be safely retained to ALARA principles. The maintenance of an air storage environment that can never be lost. The utilisation of passive, naturally induced cooling regimes. The ability to continuously monitor for long-term degradation, together with ease of inspection at any time during storage

Assessment of Adequacy of Dialysis in Patients under Continuous Hemodialysis in Kamkar and Hazrat Vali Asr Hospitals, State of Qom, 2006

Directory of Open Access Journals (Sweden)

S. M. Mousavi Movahed

2007-07-01

Full Text Available Background and objectivesHemodialysis is one of the therapeutic modalities of the end stage renal disease (ESRD. As inadequate dialysis is considered a risk factor leading to higher morbidity and mortality, determination of adequacy of dialysis is necessary. This study was conducted to determine adequacy of dialysis in continuous hemodialysis patients in Kamkar and Hazrat Vali Asr Hospitals in the state of Qom, Iran.Methods This cross sectional descriptive-analytic study was conducted in 2006. The study variables were age, gender, height, weight and duration of dialysis. Data were collected by a questionnaire and URR, dKt/V, eKt/V and pKt/V were calculated. For statistical analysis, t-test, Fisher’s exact test and Pearson correlation were employed. Results Of 238 patients, 51.7% and 48.3% were males and females respectively. The average age was 55.27 ± 16.79 years. Mean values of dKt/V, eKt/V, pKt/V and URR were 1.03 ± 0.232, 0.89 ± 0.196, 1.18 ± 0.254, and 57.46 ± 8.42 respectively. The percent of adequate dialysis in eKt/V, pKt/V and URR were 26.5%, 44.5% and 21% respectively. The mean age of insufficient eKt/V group was higher than adequate eKt/V group and t test showed a significant statistical correlation. Fisher’s exact test showed a significant correlation between adequate eKt/V and female gender, and also between eKt/V and URR. But chi-square test did not show a significant correlation between eKt/V and underling disease.Conclusion We found that hemodialysis is inadequate in a high number of patients. Further studies with larger sample numbers are recommended to determine the underlying cause of this inadequacy. Keywords: Hemodialysis, Dialysis, End Stage Renal Disease

I Hear You Eat and Speak: Automatic Recognition of Eating Condition and Food Type, Use-Cases, and Impact on ASR Performance.

Science.gov (United States)

Hantke, Simone; Weninger, Felix; Kurle, Richard; Ringeval, Fabien; Batliner, Anton; Mousa, Amr El-Desoky; Schuller, Björn

2016-01-01

We propose a new recognition task in the area of computational paralinguistics: automatic recognition of eating conditions in speech, i. e., whether people are eating while speaking, and what they are eating. To this end, we introduce the audio-visual iHEARu-EAT database featuring 1.6 k utterances of 30 subjects (mean age: 26.1 years, standard deviation: 2.66 years, gender balanced, German speakers), six types of food (Apple, Nectarine, Banana, Haribo Smurfs, Biscuit, and Crisps), and read as well as spontaneous speech, which is made publicly available for research purposes. We start with demonstrating that for automatic speech recognition (ASR), it pays off to know whether speakers are eating or not. We also propose automatic classification both by brute-forcing of low-level acoustic features as well as higher-level features related to intelligibility, obtained from an Automatic Speech Recogniser. Prediction of the eating condition was performed with a Support Vector Machine (SVM) classifier employed in a leave-one-speaker-out evaluation framework. Results show that the binary prediction of eating condition (i. e., eating or not eating) can be easily solved independently of the speaking condition; the obtained average recalls are all above 90%. Low-level acoustic features provide the best performance on spontaneous speech, which reaches up to 62.3% average recall for multi-way classification of the eating condition, i. e., discriminating the six types of food, as well as not eating. The early fusion of features related to intelligibility with the brute-forced acoustic feature set improves the performance on read speech, reaching a 66.4% average recall for the multi-way classification task. Analysing features and classifier errors leads to a suitable ordinal scale for eating conditions, on which automatic regression can be performed with up to 56.2% determination coefficient.

Abscisic acid and sucrose regulate tomato and strawberry fruit ripening through the abscisic acid-stress-ripening transcription factor.

Science.gov (United States)

Jia, Haifeng; Jiu, Songtao; Zhang, Cheng; Wang, Chen; Tariq, Pervaiz; Liu, Zhongjie; Wang, Baoju; Cui, Liwen; Fang, Jinggui

2016-10-01

Although great progress has been made towards understanding the role of abscisic acid (ABA) and sucrose in fruit ripening, the mechanisms underlying the ABA and sucrose signalling pathways remain elusive. In this study, transcription factor ABA-stress-ripening (ASR), which is involved in the transduction of ABA and sucrose signalling pathways, was isolated and analysed in the nonclimacteric fruit, strawberry and the climacteric fruit, tomato. We have identified four ASR isoforms in tomato and one in strawberry. All ASR sequences contained the ABA stress- and ripening-induced proteins and water-deficit stress-induced proteins (ABA/WDS) domain and all ASR transcripts showed increased expression during fruit development. The expression of the ASR gene was influenced not only by sucrose and ABA, but also by jasmonic acid (JA) and indole-3-acetic acid (IAA), and these four factors were correlated with each other during fruit development. ASR bound the hexose transporter (HT) promoter, which contained a sugar box that activated downstream gene expression. Overexpression of the ASR gene promoted fruit softening and ripening, whereas RNA interference delayed fruit ripening, as well as affected fruit physiological changes. Change in ASR gene expression influenced the expression of several ripening-related genes such as CHS, CHI, F3H, DFR, ANS, UFGT, PG, PL, EXP1/2, XET16, Cel1/2 and PME. Taken together, this study may provide new evidence on the important role of ASR in cross-signalling between ABA and sucrose to regulate tomato and strawberry fruit ripening. The findings of this study also provide new insights into the regulatory mechanism underlying fruit development. © 2016 The Authors. Plant Biotechnology Journal published by Society for Experimental Biology and The Association of Applied Biologists and John Wiley & Sons Ltd.

Investigation and application of multiple reactions between molybdoniobium heteropoly acid and di- or trimethylthionines

Energy Technology Data Exchange (ETDEWEB)

Mirzoyam, F.B.; Karapetyan, A.A.

1986-03-01

This paper presents the results of the study and use of reactions of molybdoniobic acid (MNA) with di- and trimethylthiones (DMT and TMT, respectively). It was found that light absorption of acetone solutions of the products of outer-sphere interaction between MNA and DMT or TMT enabled the determination of optimum acidity for MNA formation. Reaction between TMT and MNA gives two different compounds containing two and five associated dye cations, different in molar extinction coefficient and optimum reaction acidity (pH 0.05-0.25 and 0.35-0.90). Formation of the 6th and 8th molybdenum series with an identical composition of the outer sphere is shown. A highly sensitive photometric method for determining niobium has been developed.

Leveraging Automatic Speech Recognition Errors to Detect Challenging Speech Segments in TED Talks

Science.gov (United States)

Mirzaei, Maryam Sadat; Meshgi, Kourosh; Kawahara, Tatsuya

2016-01-01

This study investigates the use of Automatic Speech Recognition (ASR) systems to epitomize second language (L2) listeners' problems in perception of TED talks. ASR-generated transcripts of videos often involve recognition errors, which may indicate difficult segments for L2 listeners. This paper aims to discover the root-causes of the ASR errors…

On the existence of and mechanism for microwave-specific reaction rate enhancement.

Science.gov (United States)

Dudley, Gregory B; Richert, Ranko; Stiegman, A E

2015-04-01

The use of microwave radiation to drive chemical reactions has become ubiquitous in almost all fields of chemistry. In all of these areas it is principally due to rapid and convenient heating resulting in significantly higher rates of reaction, with other advantages including enhanced product selectivity and control of materials properties. Although microwave heating continues to grow as an enabling technology, fundamental research into the nature of microwave heating has not grown at the same rate. In the case of chemical reactions run in homogeneous solution, particularly synthetic organic reactions, there is considerable controversy over the origins of rate enhancement, with a fundamental question being whether there exist microwave-specific effects, distinct from what can be attained under conventional convective heating, that can accelerate a reaction rate. In this Perspective, we discuss unique aspects of microwave heating of molecules in solution and discuss the origin and nature of microwave-specific effects arising from the process of "selective heating" of reactants in solution. Integral to this discussion is work from the field of dielectric relaxation spectroscopy, which provides a model for selective heating by Debye relaxation processes. The Perspective also includes a critical discussion of hypotheses of non-thermal effects (alternatively classified here as resonant processes) and an outline of specific reaction parameters for chemical systems in which microwave-specific Debye relaxation processes can result in observable reaction rate enhancement.

The Dynamics of Chemical Reactions: Atomistic Visualizations of Organic Reactions, and Homage to van 't Hoff.

Science.gov (United States)

Yang, Zhongyue; Houk, K N

2018-03-15

Jacobus Henricus van 't Hoff was the first Nobel Laureate in Chemistry. He pioneered in the study of chemical dynamics, which referred at that time to chemical kinetics and thermodynamics. The term has evolved in modern times to refer to the exploration of chemical transformations in a time-resolved fashion. Chemical dynamics has been driven by the development of molecular dynamics trajectory simulations, which provide atomic visualization of chemical processes and illuminate how dynamic effects influence chemical reactivity and selectivity. In homage to the legend of van 't Hoff, we review the development of the chemical dynamics of organic reactions, our area of research. We then discuss our trajectory simulations of pericyclic reactions, and our development of dynamic criteria for concerted and stepwise reaction mechanisms. We also describe a method that we call environment-perturbed transition state sampling, which enables trajectory simulations in condensed-media using quantum mechanics and molecular mechanics (QM/MM). We apply the method to reactions in solvent and in enzyme. Jacobus Henricus van 't Hoff (1852, Rotterdam-1911, Berlin) received the Nobel Prize for Chemistry in 1901 "in recognition of the extraordinary services he has rendered by the discovery of the laws of chemical dynamics and osmotic pressure in solutions". van 't Hoff was born the Netherlands, and earned his doctorate in Utrecht in 1874. In 1896 he moved to Berlin, where he was offered a position with more research and less teaching. van 't Hoff is considered one of the founders of physical chemistry. A key step in establishing this new field was the start of Zeitschrift für Physikalische Chemie in 1887. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Accurate label-free reaction kinetics determination using initial rate heat measurements

Science.gov (United States)

Ebrahimi, Kourosh Honarmand; Hagedoorn, Peter-Leon; Jacobs, Denise; Hagen, Wilfred R.

2015-01-01

Accurate label-free methods or assays to obtain the initial reaction rates have significant importance in fundamental studies of enzymes and in application-oriented high throughput screening of enzyme activity. Here we introduce a label-free approach for obtaining initial rates of enzyme activity from heat measurements, which we name initial rate calorimetry (IrCal). This approach is based on our new finding that the data recorded by isothermal titration calorimetry for the early stages of a reaction, which have been widely ignored, are correlated to the initial rates. Application of the IrCal approach to various enzymes led to accurate enzyme kinetics parameters as compared to spectroscopic methods and enabled enzyme kinetic studies with natural substrate, e.g. proteases with protein substrates. Because heat is a label-free property of almost all reactions, the IrCal approach holds promise in fundamental studies of various enzymes and in use of calorimetry for high throughput screening of enzyme activity. PMID:26574737

Consequences and mitigation of saltwater intrusion induced by short-circuiting during aquifer storage and recovery in a coastal subsurface

Science.gov (United States)

Gerardus Zuurbier, Koen; Stuyfzand, Pieter Jan

2017-02-01

Coastal aquifers and the deeper subsurface are increasingly exploited. The accompanying perforation of the subsurface for those purposes has increased the risk of short-circuiting of originally separated aquifers. This study shows how this short-circuiting negatively impacts the freshwater recovery efficiency (RE) during aquifer storage and recovery (ASR) in coastal aquifers. ASR was applied in a shallow saltwater aquifer overlying a deeper, confined saltwater aquifer, which was targeted for seasonal aquifer thermal energy storage (ATES). Although both aquifers were considered properly separated (i.e., a continuous clay layer prevented rapid groundwater flow between both aquifers), intrusion of deeper saltwater into the shallower aquifer quickly terminated the freshwater recovery. The presumable pathway was a nearby ATES borehole. This finding was supported by field measurements, hydrochemical analyses, and variable-density solute transport modeling (SEAWAT version 4; Langevin et al., 2007). The potentially rapid short-circuiting during storage and recovery can reduce the RE of ASR to null. When limited mixing with ambient groundwater is allowed, a linear RE decrease by short-circuiting with increasing distance from the ASR well within the radius of the injected ASR bubble was observed. Interception of deep short-circuiting water can mitigate the observed RE decrease, although complete compensation of the RE decrease will generally be unattainable. Brackish water upconing from the underlying aquitard towards the shallow recovery wells of the ASR system with multiple partially penetrating wells (MPPW-ASR) was observed. This leakage may lead to a lower recovery efficiency than based on current ASR performance estimations.

Nordic Housing Enabler

DEFF Research Database (Denmark)

Helle, Tina; Brandt, Åse

Development and reliability testing of the Nordic Housing Enabler – an instrument for accessibility assessment of the physical housing. Tina Helle & Åse Brandt University of Lund, Health Sciences, Faculty of Medicine (SE) and University College Northern Jutland, Occupational Therapy department (DK......). Danish Centre for Assistive Technology. Abstract. For decades, accessibility to the physical housing environment for people with functional limitations has been of interest politically, professionally and for the users. Guidelines and norms on accessible housing design have gradually been developed......, however, the built environment shows serious deficits when it comes to accessibility. This study addresses development of a content valid cross-Nordic version of the Housing Enabler and investigation of inter-rater reliability, when used in occupational therapy practice. The instrument was translated from...

Review of Aquifer Storage and Recovery Performance in the Upper Floridan Aquifer in Southern Florida

Science.gov (United States)

Reese, Ronald S.

2006-01-01

Introduction: Interest and activity in aquifer storage and recovery (ASR) in southern Florida has increased greatly during the past 10 to 15 years. ASR wells have been drilled to the carbonate Floridan aquifer system at 30 sites in southern Florida, mostly by local municipalities or counties located in coastal areas. The primary storage zone at these sites is contained within the brackish to saline Upper Floridan aquifer of the Floridan aquifer system. The strategy for use of ASR in southern Florida is to store excess freshwater available during the wet season in an aquifer and recover it during the dry season when needed for supplemental water supply. Each ASR cycle is defined by three periods: recharge, storage, and recovery. This fact sheet summarizes some of the findings of a second phase retrospective assessment of existing ASR facilities and sites.

Simulations of nuclear reactions for a future HIE-ISOLDE spectrometer

Energy Technology Data Exchange (ETDEWEB)

Tveten, Gry [University of Oslo (Norway); CERN (Switzerland); Cederkall, Joakim [Lund University (Sweden); CERN (Switzerland); Blumenfeld, Yorick [CERN (Switzerland)

2009-07-01

The planned High Intensity and Energy (HIE) upgrade of the radioactive beam facility ISOLDE will enable post-acceleration of radioactive beams up to an energy of about 10 MeV/u, thus opening the door to nuclear reaction studies. In the case of transfer reactions in inverse kinematics a recoil separator is often well suited or even needed to tell recoils and beam apart and to select the exit channel or to do spectroscopic studies. Two different types of spectrometer designs are being considered for HIE-ISOLDE, namely a recoil mass separator or a ray-tracing type of spectrometer. A set of nuclear transfer reactions in inverse kinematics have been simulated using realistic parameters for HIE-ISOLDE. The performance of the two types of spectrometer designs is compared and their scientific possibilities and limitations discussed based on the simulation results. To evaluate the validity of the simulations a data set from PRISMA at LNL is also compared with simulation results and a comparison between simulations and these data will be presented.

Trends in the leading causes of death in Korea, 1983-2012.

Science.gov (United States)

Lim, Daroh; Ha, Mina; Song, Inmyung

2014-12-01

This study aimed to analyze trends in the 10 leading causes of death in Korea from 1983 to 2012. Death rates were derived from the Korean Statistics Information Service database and age-adjusted to the 2010 population. Joinpoint regression analysis was used to identify the points when statistically significant changes occurred in the trends. Between 1983 and 2012, the age-standardized death rate (ASR) from all causes decreased by 61.6% for men and 51.2% for women. ASRs from malignant neoplasms, diabetes mellitus, and transport accidents increased initially before decreasing. ASRs from hypertensive diseases, heart diseases, cerebrovascular diseases and diseases of the liver showed favorable trends (ASR % change: -94.4%, -53.8%, -76.0%, and -78.9% for men, and -77.1%, -36.5%, -67.8%, and -79.9% for women, respectively). ASRs from pneumonia decreased until the mid-1990s and thereafter increased. ASRs from intentional self-harm increased persistently since around 1990 (ASR % change: 122.0% for men and 217.4% for women). In conclusion, death rates from all causes in Korea decreased significantly in the last three decades except in the late 1990s. Despite the great strides made in the overall mortality, temporal trends varied widely by cause. Mortality trends for malignant neoplasms, diabetes mellitus, pneumonia and intentional self-harm were unfavorable.

Organocatalyzed, Visible-Light Photoredox-Mediated, One-Pot Minisci Reaction Using Carboxylic Acids via N-(Acyloxy)phthalimides.

Science.gov (United States)

Sherwood, Trevor C; Li, Ning; Yazdani, Aliza N; Dhar, T G Murali

2018-03-02

An improved, one-pot Minisci reaction has been developed using visible light, an organic photocatalyst, and carboxylic acids as radical precursors via the intermediacy of in situ-generated N-(acyloxy)phthalimides. The conditions employed are mild, demonstrate a high degree of functional group tolerance, and do not require a large excess of the carboxylic acid reactant. As a result, this reaction can be applied to drug-like scaffolds and molecules with sensitive functional groups, enabling late-stage functionalization, which is of high interest to medicinal chemistry.

Spin-Center Shift-Enabled Direct Enantioselective α-Benzylation of Aldehydes with Alcohols.

Science.gov (United States)

Nacsa, Eric D; MacMillan, David W C

2018-03-07

Nature routinely engages alcohols as leaving groups, as DNA biosynthesis relies on the removal of water from ribonucleoside diphosphates by a radical-mediated "spin-center shift" (SCS) mechanism. Alcohols, however, remain underused as alkylating agents in synthetic chemistry due to their low reactivity in two-electron pathways. We report herein an enantioselective α-benzylation of aldehydes using alcohols as alkylating agents based on the mechanistic principle of spin-center shift. This strategy harnesses the dual activation modes of photoredox and organocatalysis, engaging the alcohol by SCS and capturing the resulting benzylic radical with a catalytically generated enamine. Mechanistic studies provide evidence for SCS as a key elementary step, identify the origins of competing reactions, and enable improvements in chemoselectivity by rational photocatalyst design.

ASR 8.indd

African Journals Online (AJOL)

hilarybenjamin

30 août 2010 ... de la forte demande mondiale, la forêt du bassin du Congo est, comparée .... La République démocratique du Congo qui a adhéré au processus de Rio de Janeiro5 ...... les incursions dans les réserves forestières et les mangroves ... Le processus de Rio de Janeiro est initié à l'issu de la conférence des ...

ASR 2.indd

African Journals Online (AJOL)

hilarybenjamin

2010-08-30

Aug 30, 2010 ... Akiwowo offers a view of sociology of knowledge which defends a perspective of man .... contemporary problems which in the present period are self inflicted. ... defense of a thought which is often used to define wrongly the ...

ASR 7.indd

African Journals Online (AJOL)

hilarybenjamin

2010-08-30

Aug 30, 2010 ... incurred by the facilities. he youth, who are all Black and mainly male, stay at hostels on SOS Glen .... normally headed by war veterans, were set up on the occupied farms. Initially, there ...... Harare: Weaver Press. Brinkerhoff ...

Pilot project as enabler?

DEFF Research Database (Denmark)

Neisig, Margit; Glimø, Helle; Holm, Catrine Granzow

This article deals with a systemic perspective on transition. The field of study addressed is a pilot project as enabler of transition in a highly complex polycentric context. From a Luhmannian systemic approach, a framework is created to understand and address barriers of change occurred using...... pilot projects as enabler of transition. Aspects of how to create trust and deal with distrust during a transition are addressed. The transition in focus is the concept of New Public Management and how it is applied in the management of the Employment Service in Denmark. The transition regards...

Hydrozirconation of lithium alkynylselenolate anions. Generation and reactions of alpha-zirconated vinyl selenide intermediates

Science.gov (United States)

Dabdoub; Begnini; Guerrero; Baroni

2000-01-14

Lithium alkynylselenolate anions react completely with 1.0 equiv of Cp(2)Zr(H)Cl in THF at room temperature to give exclusively the alpha-zirconated vinylselenolate intermediates 23-27, which by treatment with an alkyl halide afforded the alpha-zirconated vinyl alkylselenide intermediates 29-33. Reaction of 29-33 with butyltellurenyl bromide results in the formation of ketene telluro(seleno) acetals 35-39 with total control of the regio- and stereochemistry. The synthetic utility of the ketene telluro(seleno) acetals obtained here was demonstrated by reaction of 36 with butyllithium. This promotes the exclusive and stereospecific removal of the tellurium moiety and enables formation of the corresponding selenium-containing allylic alcohol of type 44, alpha-(alkylseleno)-alpha,beta-unsaturated aldehyde 45, ester 46, or carboxylic acid 47, after reaction with different types of electrophiles.

Study on monostable and bistable reaction-diffusion equations by iteration of travelling wave maps

Science.gov (United States)

Yi, Taishan; Chen, Yuming

2017-12-01

In this paper, based on the iterative properties of travelling wave maps, we develop a new method to obtain spreading speeds and asymptotic propagation for monostable and bistable reaction-diffusion equations. Precisely, for Dirichlet problems of monostable reaction-diffusion equations on the half line, by making links between travelling wave maps and integral operators associated with the Dirichlet diffusion kernel (the latter is NOT invariant under translation), we obtain some iteration properties of the Dirichlet diffusion and some a priori estimates on nontrivial solutions of Dirichlet problems under travelling wave transformation. We then provide the asymptotic behavior of nontrivial solutions in the space-time region for Dirichlet problems. These enable us to develop a unified method to obtain results on heterogeneous steady states, travelling waves, spreading speeds, and asymptotic spreading behavior for Dirichlet problem of monostable reaction-diffusion equations on R+ as well as of monostable/bistable reaction-diffusion equations on R.

Analysis of Documentation Speed Using Web-Based Medical Speech Recognition Technology: Randomized Controlled Trial.

Science.gov (United States)

Vogel, Markus; Kaisers, Wolfgang; Wassmuth, Ralf; Mayatepek, Ertan

2015-11-03

Clinical documentation has undergone a change due to the usage of electronic health records. The core element is to capture clinical findings and document therapy electronically. Health care personnel spend a significant portion of their time on the computer. Alternatives to self-typing, such as speech recognition, are currently believed to increase documentation efficiency and quality, as well as satisfaction of health professionals while accomplishing clinical documentation, but few studies in this area have been published to date. This study describes the effects of using a Web-based medical speech recognition system for clinical documentation in a university hospital on (1) documentation speed, (2) document length, and (3) physician satisfaction. Reports of 28 physicians were randomized to be created with (intervention) or without (control) the assistance of a Web-based system of medical automatic speech recognition (ASR) in the German language. The documentation was entered into a browser's text area and the time to complete the documentation including all necessary corrections, correction effort, number of characters, and mood of participant were stored in a database. The underlying time comprised text entering, text correction, and finalization of the documentation event. Participants self-assessed their moods on a scale of 1-3 (1=good, 2=moderate, 3=bad). Statistical analysis was done using permutation tests. The number of clinical reports eligible for further analysis stood at 1455. Out of 1455 reports, 718 (49.35%) were assisted by ASR and 737 (50.65%) were not assisted by ASR. Average documentation speed without ASR was 173 (SD 101) characters per minute, while it was 217 (SD 120) characters per minute using ASR. The overall increase in documentation speed through Web-based ASR assistance was 26% (P=.04). Participants documented an average of 356 (SD 388) characters per report when not assisted by ASR and 649 (SD 561) characters per report when assisted

Intramolecular Redox-Mannich Reactions: Facile Access to the Tetrahydroprotoberberine Core.

Science.gov (United States)

Ma, Longle; Seidel, Daniel

2015-09-07

Cyclic amines such as pyrrolidine undergo redox-annulations with 2-formylaryl malonates. Concurrent oxidative amine α-CH bond functionalization and reductive N-alkylation render this transformation redox-neutral. This redox-Mannich process provides regioisomers of classic Reinhoudt reaction products as an entry to the tetrahydroprotoberberine core, enabling the synthesis of (±)-thalictricavine and its epimer. An unusually mild amine-promoted dealkoxycarbonylation was discovered in the course of these studies. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Enabling new capabilities and insights from quantum chemistry by using component architectures

International Nuclear Information System (INIS)

Janssen, C L; Kenny, J P; Nielsen, I M B; Krishnan, M; Gurumoorthi, V; Valeev, E F; Windus, T L

2006-01-01

Steady performance gains in computing power, as well as improvements in Scientific computing algorithms, are making possible the study of coupled physical phenomena of great extent and complexity. The software required for such studies is also very complex and requires contributions from experts in multiple disciplines. We have investigated the use of the Common Component Architecture (CCA) as a mechanism to tackle some of the resulting software engineering challenges in quantum chemistry, focusing on three specific application areas. In our first application, we have developed interfaces permitting solvers and quantum chemistry packages to be readily exchanged. This enables our quantum chemistry packages to be used with alternative solvers developed by specialists, remedying deficiencies we discovered in the native solvers provided in each of the quantum chemistry packages. The second application involves development of a set of components designed to improve utilization of parallel machines by allowing multiple components to execute concurrently on subsets of the available processors. This was found to give substantial improvements in parallel scalability. Our final application is a set of components permitting different quantum chemistry packages to interchange intermediate data. These components enabled the investigation of promising new methods for obtaining accurate thermochemical data for reactions involving heavy elements

One-Pot Synthesis of N-(α-Peroxy)Indole/Carbazole via Chemoselective Three-Component Condensation Reaction in Open Atmosphere

KAUST Repository

Wang, Xinbo

2015-11-06

A facile one-pot synthesis of N-(α-peroxy)indole and N-(α-peroxy)carbazole has been developed using metal-free, organo-acid-catalyzed three-component condensation reactions of indole/carbazole, aldehyde, and peroxide. Based on the reaction discovered, a new synthetic proposal for Fumitremorgin A and Verruculogen is introduced. Such a protocol could be easily handled and scaled up in an open atmosphere with a wide substrate scope, enabling the construction of a new molecule library.

Evaluation of Advanced Signal Processing Techniques to Improve Detection and Identification of Embedded Defects

Energy Technology Data Exchange (ETDEWEB)

Clayton, Dwight A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Santos-Villalobos, Hector J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Baba, Justin S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2016-09-01

, or an improvement in contrast over conventional SAFT reconstructed images. This report documents our efforts in four fronts: 1) Comparative study between traditional SAFT and FBD SAFT for concrete specimen with and without Alkali-Silica Reaction (ASR) damage, 2) improvement of our Model-Based Iterative Reconstruction (MBIR) for thick reinforced concrete [5], 3) development of a universal framework for sharing, reconstruction, and visualization of ultrasound NDE datasets, and 4) application of machine learning techniques for automated detection of ASR inside concrete. Our comparative study between FBD and traditional SAFT reconstruction images shows a clear difference between images of ASR and non-ASR specimens. In particular, the left first harmonic shows an increased contrast and sensitivity to ASR damage. For MBIR, we show the superiority of model-based techniques over delay and sum techniques such as SAFT. Improvements include elimination of artifacts caused by direct arrival signals, and increased contrast and Signal to Noise Ratio. For the universal framework, we document a format for data storage based on the HDF5 file format, and also propose a modular Graphic User Interface (GUI) for easy customization of data conversion, reconstruction, and visualization routines. Finally, two techniques for ASR automated detection are presented. The first technique is based on an analysis of the frequency content using Hilbert Transform Indicator (HTI) and the second technique employees Artificial Neural Network (ANN) techniques for training and classification of ultrasound data as ASR or non-ASR damaged classes. The ANN technique shows great potential with classification accuracy above 95%. These approaches are extensible to the detection of additional reinforced, thick concrete defects and damage.

Multi-step direct reactions

International Nuclear Information System (INIS)

Koning, A.J.

1992-07-01

In recent years a variety of statistical theories has been developed concerning multistep direct (MSD) nuclear reactions. In addition, dominant in applications is a whole class of semiclassical models that may be subsumed under the heading of 'generalized exciton models'; these are basically MSD-type extensions on top of compound-like concepts. In this report the relation between their underlying statistical MSD-postulates are highlighted. A command framework is sketched that enables to generate the various MSD theories through assigning statistical properties to different parts of the nuclear Hamiltonian. Then it is shown that distinct forms of nuclear randomness are embodied in the mentioned theories. All these theories appear to be very similar at a qualitative level. In order to explain the high energy-tails and forward-peaked angular distribution typical for particles emitted in MSD reactions, it is imagined that the incident continuum particle stepwise looses its energy and direction in a sequence of collisions, thereby creating new particle-hole pairs in the target system. At each step emission may take place. The statistical aspect comes in because many continuum states are involved in the process. These are supposed to display chaotic behavior, the associated randomness assumption giving rise to important simplifications in the expression for MSD emission cross sections. This picture suggests that mentioned MSD models can be interpreted as a variant of essentially one and the same theory. 113 refs.; 25 figs.; 9 tabs

Incident reporting: Its role in aviation safety and the acquisition of human error data

Science.gov (United States)

Reynard, W. D.

1983-01-01

The rationale for aviation incident reporting systems is presented and contrasted to some of the shortcomings of accident investigation procedures. The history of the United State's Aviation Safety Reporting System (ASRS) is outlined and the program's character explained. The planning elements that resulted in the ASRS program's voluntary, confidential, and non-punitive design are discussed. Immunity, from enforcement action and misuse of the volunteered data, is explained and evaluated. Report generation techniques and the ASRS data analysis process are described; in addition, examples of the ASRS program's output and accomplishments are detailed. Finally, the value of incident reporting for the acquisition of safety information, particularly human error data, is explored.

Development of species-specific DNA probes for Campylobacter jejuni, Campylobacter coli, and Campylobacter lari by polymerase chain reaction fingerprinting

NARCIS (Netherlands)

Giesendorf, B A; van Belkum, A; Koeken, A; Stegeman, H; Henkens, M H; van der Plas, J; Goossens, H; Niesters, H G; Quint, W G

The application of polymerase chain reaction (PCR) fingerprinting assays enables discrimination between species and strains of microorganisms. PCR primers aiming at arbitrary sequences in combination with primers directed against the repetitive extragenic palindrome (REP) or enterobacterial

Development of linear free energy relationships for aqueous phase radical-involved chemical reactions.

Science.gov (United States)

Minakata, Daisuke; Mezyk, Stephen P; Jones, Jace W; Daws, Brittany R; Crittenden, John C

2014-12-02

Aqueous phase advanced oxidation processes (AOPs) produce hydroxyl radicals (HO•) which can completely oxidize electron rich organic compounds. The proper design and operation of AOPs require that we predict the formation and fate of the byproducts and their associated toxicity. Accordingly, there is a need to develop a first-principles kinetic model that can predict the dominant reaction pathways that potentially produce toxic byproducts. We have published some of our efforts on predicting the elementary reaction pathways and the HO• rate constants. Here we develop linear free energy relationships (LFERs) that predict the rate constants for aqueous phase radical reactions. The LFERs relate experimentally obtained kinetic rate constants to quantum mechanically calculated aqueous phase free energies of activation. The LFERs have been applied to 101 reactions, including (1) HO• addition to 15 aromatic compounds; (2) addition of molecular oxygen to 65 carbon-centered aliphatic and cyclohexadienyl radicals; (3) disproportionation of 10 peroxyl radicals, and (4) unimolecular decay of nine peroxyl radicals. The LFERs correlations predict the rate constants within a factor of 2 from the experimental values for HO• reactions and molecular oxygen addition, and a factor of 5 for peroxyl radical reactions. The LFERs and the elementary reaction pathways will enable us to predict the formation and initial fate of the byproducts in AOPs. Furthermore, our methodology can be applied to other environmental processes in which aqueous phase radical-involved reactions occur.

The Oxford-Diamond In Situ Cell for studying chemical reactions using time-resolved X-ray diffraction

Science.gov (United States)

Moorhouse, Saul J.; Vranješ, Nenad; Jupe, Andrew; Drakopoulos, Michael; O'Hare, Dermot

2012-08-01

A versatile, infrared-heated, chemical reaction cell has been assembled and commissioned for the in situ study of a range of chemical syntheses using time-resolved energy-dispersive X-ray diffraction (EDXRD) on Beamline I12 at the Diamond Light Source. Specialized reactor configurations have been constructed to enable in situ EDXRD investigation of samples under non-ambient conditions. Chemical reactions can be studied using a range of sample vessels such as alumina crucibles, steel hydrothermal autoclaves, and glassy carbon tubes, at temperatures up to 1200 °C.

Chiral Nickel(II) Complex Catalyzed Enantioselective Doyle-Kirmse Reaction of α-Diazo Pyrazoleamides.

Science.gov (United States)

Lin, Xiaobin; Tang, Yu; Yang, Wei; Tan, Fei; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming

2018-03-07

Although high enantioselectivity of [2,3]-sigmatropic rearrangement of sulfonium ylides (Doyle-Kirmse reaction) has proven surprisingly elusive using classic chiral Rh(II) and Cu(I) catalysts, in principle it is due to the difficulty in fine discrimination of the heterotopic lone pairs of sulfur and chirality inversion at sulfur of sulfonium ylides. Here, we show that the synergistic merger of new α-diazo pyrazoleamides and a chiral N, N'-dioxide-nickel(II) complex catalyst enables a highly enantioselective Doyle-Kirmse reaction. The pyrazoleamide substituent serves as both an activating and a directing group for the ready formation of a metal-carbene- and Lewis-acid-bonded ylide intermediate in the assistance of a dual-tasking nickel(II) complex. An alternative chiral Lewis-acid-bonded ylide pathway greatly improves the product enantiopurity even for the reaction of a symmetric diallylsulfane. The majority of transformations over a series of aryl- or vinyl-substituted α-diazo pyrazoleamindes and sulfides proceed rapidly (within 5-20 min in most cases) with excellent results (up to 99% yield and 96% ee), providing a breakthrough in enantioselective Doyle-Kirmse reaction.

Evaluation of heavy metals in hazardous automobile shredder residue thermal residue and immobilization with novel nano-size calcium dispersed reagent.

Science.gov (United States)

Lee, Chi-Hyeon; Truc, Nguyen Thi Thanh; Lee, Byeong-Kyu; Mitoma, Yoshiharu; Mallampati, Srinivasa Reddy

2015-10-15

This study was conducted to synthesize and apply a nano-size calcium dispersed reagent as an immobilization material for heavy metal-contaminated automobile shredder residues (ASR) dust/thermal residues in dry condition. Simple mixing with a nanometallic Ca/CaO/PO4 dispersion mixture immobilized 95-100% of heavy metals in ASR dust/thermal residues (including bottom ash, cavity ash, boiler and bag filter ash). The quantity of heavy metals leached from thermal residues after treatment by nanometallic Ca/CaO/PO4 was lower than the Korean standard regulatory limit for hazardous waste landfills. The morphology and elemental composition of the nanometallic Ca/CaO-treated ASR residue were characterized by field emission scanning election microscopy combined with electron dispersive spectroscopy (FE-SEM/EDS). The results indicated that the amounts of heavy metals detectable on the ASR thermal residue surface decreased and the Ca/PO4 mass percent increased. X-ray diffraction (XRD) pattern analysis indicated that the main fraction of enclosed/bound materials on ASR residue included Ca/PO4- associated crystalline complexes, and that immobile Ca/PO4 salts remarkably inhibited the desorption of heavy metals from ASR residues. These results support the potential use of nanometallic Ca/CaO/PO4 as a simple, suitable and highly efficient material for the gentle immobilization of heavy metals in hazardous ASR thermal residue in dry condition. Copyright © 2015 Elsevier B.V. All rights reserved.

Acoustic stapedial reflexes in healthy neonates: normative data and test-retest reliability.

Science.gov (United States)

Kei, Joseph

2012-01-01

The acoustic stapedial reflex (ASR) test provides useful information about the function of the auditory system. While it is frequently used with adults and children in a clinical setting, its use with young infants is limited. Presently, there are few data for neonates and inadequate research into the test-retest reliability of the ASR test. This study aimed to establish normative data and evaluate the test-retest reliability of the ASR test in healthy neonates. A cross-sectional experimental design was used to establish ASR normative data and assess the test-retest reliability of ASR thresholds obtained from healthy neonates. Sixty-eight full-term neonates with mean chronological age of 2.5 days (SD = 1.8 day), who passed the automated auditory brainstem response, transient evoked otoacoustic emission, and high frequency (1 kHz) tympanometry (HFT) tests. One randomly selected ear from each neonate was tested using TEOAE (transient evoked otoacoustic emission), HFT, and ASR tests using a 1 kHz probe tone. ASR thresholds were elicited by presenting pure tones of 0.5, 2, and 4 kHz and broadband noise (BBN) separately to the test ear in an ipsilateral stimulation mode. The ASR procedure was repeated to acquire retest data within the same testing session. Descriptive statistics, χ2, and analysis of variance with repeated measures tests were used to analyze ASR data. All neonates exhibited ASR when stimulated by tonal stimuli or BBN. The mean ASRTs (acoustic stapedial reflex thresholds) for the 0.5, 2, and 4 kHz tones were 81.6 ± 7.9, 71.3 ± 7.9, and 65.4 ± 8.7 dB HL, respectively. The mean ASRT for the BBN was estimated to be smaller than 57.2 dB HL, given the limitation of the equipment. The 95th percentiles of the ASRT were 95, 85, 80, and 75 dB HL for the 0.5, 2, and 4 kHz and BBN, respectively. The test-retest reliability of the ASR test for all stimuli was high, with no significant difference in mean ASRTs across the test and retest conditions. Test

OGC® Sensor Web Enablement Standards

Directory of Open Access Journals (Sweden)

George Percivall

2006-09-01

Full Text Available This article provides a high-level overview of and architecture for the Open Geospatial Consortium (OGC standards activities that focus on sensors, sensor networks, and a concept called the “Sensor Web”. This OGC work area is known as Sensor Web Enablement (SWE. This article has been condensed from "OGC® Sensor Web Enablement: Overview And High Level Architecture," an OGC White Paper by Mike Botts, PhD, George Percivall, Carl Reed, PhD, and John Davidson which can be downloaded from http://www.opengeospatial.org/pt/15540. Readers interested in greater technical and architecture detail can download and read the OGC SWE Architecture Discussion Paper titled “The OGC Sensor Web Enablement Architecture” (OGC document 06-021r1, http://www.opengeospatial.org/pt/14140.

Production of Λ(1405) in K-p reactions at 4.2 GeV/c

International Nuclear Information System (INIS)

Hemingway, R.J.

1985-01-01

From a 130 event/μb exposure of the CERN 2 m hydrogen bubble chamber to a 4.2 GeV/c K - beam, a high statistics sample of Λ(1405) in a production reaction has been isolated. The reaction K - p -> Σ + (1660)π - , Σ + (1660) -> Λ(1405)π + , Λ(1405) -> Σπ has enabled an almost pure selection of Λ(1405) events. A Byers-Fenster spin-parity analysis is in agreement with the J=1/2 assignment but gives no parity discrimination. The measured line-shape of the Λ(1405) is particularly useful in allowing a better understanding of the nature of this resonance. (orig.)

Enabling Open Innovation: Lessons from Haier

Institute of Scientific and Technical Information of China (English)

Arie Y.Lewin; Liisa V(a)likangas; Jin Chen

2017-01-01

Open innovation has become a dominant innovation paradigm.However,the actual adoption of open innovation organizational designs and practices remains elusive,and ongoing examples of large companies practicing open innovation in mature industries or beyond R&D activities are rare.Despite the continuing interest in open innovation and the surging research on the topic,not much is documented about how,in particular,large companies interpret and implement open innovation or develop and sustain an innovation-enabling culture.This paper reports on a study of Haier's adoption of six radical innovations as it implements an open innovation organization over a period of seven years.The study is unique in that the cases reveal how open innovation is enabled by the socially enabling mechanisms developed under Chairman Ruimin Zhang's leadership.These varied enabling mechanisms open the organization to serendipity at every level,from the bottom up to suppliers.Most importantly,the mechanisms imprint and sustain an open innovation culture recognized as important-yet often left unarticulated in terms of how it is practiced-in the prior literature.The paper contributes to and highlights the centrality of socially enabling mechanisms underlying an organization's innovation absorptive capacity.

In Situ Environmental TEM in Imaging Gas and Liquid Phase Chemical Reactions for Materials Research.

Science.gov (United States)

Wu, Jianbo; Shan, Hao; Chen, Wenlong; Gu, Xin; Tao, Peng; Song, Chengyi; Shang, Wen; Deng, Tao

2016-11-01

Gas and liquid phase chemical reactions cover a broad range of research areas in materials science and engineering, including the synthesis of nanomaterials and application of nanomaterials, for example, in the areas of sensing, energy storage and conversion, catalysis, and bio-related applications. Environmental transmission electron microscopy (ETEM) provides a unique opportunity for monitoring gas and liquid phase reactions because it enables the observation of those reactions at the ultra-high spatial resolution, which is not achievable through other techniques. Here, the fundamental science and technology developments of gas and liquid phase TEM that facilitate the mechanistic study of the gas and liquid phase chemical reactions are discussed. Combined with other characterization tools integrated in TEM, unprecedented material behaviors and reaction mechanisms are observed through the use of the in situ gas and liquid phase TEM. These observations and also the recent applications in this emerging area are described. The current challenges in the imaging process are also discussed, including the imaging speed, imaging resolution, and data management. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Syntheses of the Stemona Alkaloids (±)-Stenine, (±)-Neostenine, and (±)-13-Epineostenine Using a Stereodivergent Diels-Alder/Azido-Schmidt Reaction

Science.gov (United States)

Frankowski, Kevin J.; Golden, Jennifer E.; Zeng, Yibin; Lei, Yao; Aubé, Jeffrey

2009-01-01

A tandem Diels-Alder/azido Schmidt reaction sequence provides rapid access to the core skeleton shared by several Stemona alkaloids including stenine, neostenine, tuberstemonine, and neotubererostemonine. The discovery and evolution of inter- and intramolecular variations of this process and their applications to total syntheses of (±)–stenine and (±)–neostenine is described. The stereochemical outcome of the reaction depends on both substrate type and reaction condition, enabling the preparation of both (±)–stenine and (±)–neostenine from the same diene/dienophile combination. PMID:18396881

ReaDDy--a software for particle-based reaction-diffusion dynamics in crowded cellular environments.

Directory of Open Access Journals (Sweden)

Johannes Schöneberg

Full Text Available We introduce the software package ReaDDy for simulation of detailed spatiotemporal mechanisms of dynamical processes in the cell, based on reaction-diffusion dynamics with particle resolution. In contrast to other particle-based reaction kinetics programs, ReaDDy supports particle interaction potentials. This permits effects such as space exclusion, molecular crowding and aggregation to be modeled. The biomolecules simulated can be represented as a sphere, or as a more complex geometry such as a domain structure or polymer chain. ReaDDy bridges the gap between small-scale but highly detailed molecular dynamics or Brownian dynamics simulations and large-scale but little-detailed reaction kinetics simulations. ReaDDy has a modular design that enables the exchange of the computing core by efficient platform-specific implementations or dynamical models that are different from Brownian dynamics.

Rational design of competitive electrocatalysts for the oxygen reduction reaction in hydrogen fuel cells

Science.gov (United States)

Stolbov, Sergey; Alcántara Ortigoza, Marisol

2012-02-01

The large-scale application of one of the most promising clean and renewable sources of energy, hydrogen fuel cells, still awaits efficient and cost-effective electrocatalysts for the oxygen reduction reaction (ORR) occurring on the cathode. We demonstrate that truly rational design renders electrocatalysts possessing both qualities. By unifying the knowledge on surface morphology, composition, electronic structure and reactivity, we solve that sandwich-like structures are an excellent choice for optimization. Their constituting species couple synergistically yielding reaction-environment stability, cost-effectiveness and tunable reactivity. This cooperative-action concept enabled us to predict two advantageous ORR electrocatalysts. Density functional theory calculations of the reaction free-energy diagrams confirm that these materials are more active toward ORR than the so far best Pt-based catalysts. Our designing concept advances also a general approach for engineering materials in heterogeneous catalysis.

The evolution of sex roles in birds is related to adult sex ratio.

Science.gov (United States)

Liker, András; Freckleton, Robert P; Székely, Tamás

2013-01-01

Sex-role reversal represents a formidable challenge for evolutionary biologists, since it is not clear which ecological, life-history or social factors facilitated conventional sex roles (female care and male-male competition for mates) to be reversed (male care and female-female competition). Classic theories suggested ecological or life-history predictors of role reversal, but most studies failed to support these hypotheses. Recent theory however predicts that sex-role reversal should be driven by male-biased adult sex ratio (ASR). Here we test this prediction for the first time using phylogenetic comparative analyses. Consistent with theory, both mating system and parental care are strongly related to ASR in shorebirds: conventional sex roles are exhibited by species with female-biased ASR, whereas sex-role reversal is associated with male-biased ASR. These results suggest that social environment has a strong influence on breeding systems and therefore revealing the causes of ASR variation in wild populations is essential for understanding sex role evolution.

Reaction time for trimolecular reactions in compartment-based reaction-diffusion models

Science.gov (United States)

Li, Fei; Chen, Minghan; Erban, Radek; Cao, Yang

2018-05-01

Trimolecular reaction models are investigated in the compartment-based (lattice-based) framework for stochastic reaction-diffusion modeling. The formulae for the first collision time and the mean reaction time are derived for the case where three molecules are present in the solution under periodic boundary conditions. For the case of reflecting boundary conditions, similar formulae are obtained using a computer-assisted approach. The accuracy of these formulae is further verified through comparison with numerical results. The presented derivation is based on the first passage time analysis of Montroll [J. Math. Phys. 10, 753 (1969)]. Montroll's results for two-dimensional lattice-based random walks are adapted and applied to compartment-based models of trimolecular reactions, which are studied in one-dimensional or pseudo one-dimensional domains.

Advances in heterogeneous autocatalytic reactions applied to uranium dissolution - 5317

International Nuclear Information System (INIS)

Marc, P.; Magnaldo, A.; Godard, J.; Schaer, E.

2015-01-01

Dissolution and the solubilization of the chemical elements is a milestone of the head-end of hydrometallurgical processes. When dissolving spent nuclear fuels, additional constraints are added due to the permanent need to strictly control and limit the hold-up. Thus the need for kinetic modeling concerning the dissolution of spent nuclear fuels in nitric acid. This study aims at better understanding the chemical and physical-chemical phenomena of uranium dioxide dissolution reactions in nitric medium. It has been documented that the nitric acid attack of sintering-manufactured uranium dioxide solids occurs through preferential attack sites. This non uniform attack leads to the development of cracks in the solids. Optical microscopy observations show that in some cases, the development of these cracks can lead to the solid cleavage. In this case, we show that the dissolution of the detached fragments is much slower than the time required for the complete cleavage of the solid. These points motivated the measurements of dissolution kinetics using optical microscopy and image processing. A comparison of the measured kinetics with the diffusion kinetics by the mean of the external resistance fraction allows discriminating between measured kinetics corresponding to the chemical reaction or mass-transport limitation. This capability to measure, for the very first time, the 'true' chemical kinetics of the reaction has enabled the confirmation of the highly autocatalytic nature of the reaction, and first evaluation of the constants of the chemical reactions kinetic laws. These data are fundamental to set the kinetic parameters of the chemical reactions in a future model of the dissolution of uranium dioxide sintered pellets. (authors)

An EIS study of La2-aEuro parts per thousand x Sr (x) NiO4+ (delta) SOFC cathodes

DEFF Research Database (Denmark)

Kammer Hansen, Kent

2009-01-01

nickelates towards the reduction of oxygen is equal to the ASR of perovskites; however, it is not as low as for the best Fe–Co-based perovskites. The lowest ASR is found for the compound La1.75Sr0.25NiO4 +  δ with an ASR of 23.8 Ωcm2 measured on a cone-shaped electrode in air at 600 °C. It is suggested...

Microbial community variation and functions to excess sludge reduction in a novel gravel contact oxidation reactor

Energy Technology Data Exchange (ETDEWEB)

Lin Shanshan; Jin, Y.; Fu, L. [School of Urban and Environmental Science, Northeast Normal University, Changchun (China); Quan, C. [Jilin University, College of medicine, Changchun (China); Yang, Y.S., E-mail: yangy6@cf.ac.uk [Cardiff University, School of Earth and Ocean Sciences, Cardiff CF10 3YE (United Kingdom)

2009-06-15

Excess biomass produced within the degradation processes of organic pollutants is creating environmental challenges. The gravel contact oxidation reactor (GCOR) filled with crushed stone globular aggregates as carriers, has been demonstrated capable of reducing the excess sludge effectively in some pilot and small-scale engineering studies. In order to evaluate the variation and structure of the microbial community and their functions to excess sludge reduction in GCOR, a conventional activated sludge reactor (ASR) was studied as a comparison. The 16S rDNA library of the universal bacteria was constructed, Shannon's diversity index (H) and Species evenness (E) were calculated with distance-based operational taxonomic unit and richness (DOTUR) for microbial diversity. Real-time quantity PCR and optical microscope were used for absolute bacterial DNA concentration and eukarya identification, respectively. Meanwhile, the suspended solid index in GCOR and ASR was detected for assessing the excess sludge production. The results indicated that the most abundant bacteria in GCOR were those related to the {beta}-Proteobacteria group, then {gamma}-Proteobacteria and to Cytophaga-Flexibacter-Bacteriode (CFB). In the ASR samples major bacteria were in the closest match with {gamma}-Proteobacteria, then {beta}-Proteobacteria and CFB. Shannon's index (H) was higher (3.41) for diversity of bacteria extracted from the carrier samples in GCOR than that (2.71) from the sludge sample in ASR. Species evenness (E) for the isolates from GCOR and ASR samples was 0.97 and 0.96, respectively. Comparison of the universal bacteria population in GCOR and ASR shows that the total bacterial DNA concentration on the GCOR carriers were 8.98 x 10{sup 5} {mu}g/{mu}l, twice that in ASR of 4.67 x 10{sup 5} {mu}g/{mu}l under normal operation of two reactors. But the MLSS in GCOR was only 4.5 mg/L, 25 times less than that in ASR of 115.4 mg/L. The most representative eukarya were protozoa

Microbial community variation and functions to excess sludge reduction in a novel gravel contact oxidation reactor

International Nuclear Information System (INIS)

Lin Shanshan; Jin, Y.; Fu, L.; Quan, C.; Yang, Y.S.

2009-01-01

Excess biomass produced within the degradation processes of organic pollutants is creating environmental challenges. The gravel contact oxidation reactor (GCOR) filled with crushed stone globular aggregates as carriers, has been demonstrated capable of reducing the excess sludge effectively in some pilot and small-scale engineering studies. In order to evaluate the variation and structure of the microbial community and their functions to excess sludge reduction in GCOR, a conventional activated sludge reactor (ASR) was studied as a comparison. The 16S rDNA library of the universal bacteria was constructed, Shannon's diversity index (H) and Species evenness (E) were calculated with distance-based operational taxonomic unit and richness (DOTUR) for microbial diversity. Real-time quantity PCR and optical microscope were used for absolute bacterial DNA concentration and eukarya identification, respectively. Meanwhile, the suspended solid index in GCOR and ASR was detected for assessing the excess sludge production. The results indicated that the most abundant bacteria in GCOR were those related to the β-Proteobacteria group, then γ-Proteobacteria and to Cytophaga-Flexibacter-Bacteriode (CFB). In the ASR samples major bacteria were in the closest match with γ-Proteobacteria, then β-Proteobacteria and CFB. Shannon's index (H) was higher (3.41) for diversity of bacteria extracted from the carrier samples in GCOR than that (2.71) from the sludge sample in ASR. Species evenness (E) for the isolates from GCOR and ASR samples was 0.97 and 0.96, respectively. Comparison of the universal bacteria population in GCOR and ASR shows that the total bacterial DNA concentration on the GCOR carriers were 8.98 x 10 5 μg/μl, twice that in ASR of 4.67 x 10 5 μg/μl under normal operation of two reactors. But the MLSS in GCOR was only 4.5 mg/L, 25 times less than that in ASR of 115.4 mg/L. The most representative eukarya were protozoa both in GCOR (15 no. per 20 ml) and in ASR (15

Synthetic Biology as an Enabling Technology for Space Exploration

Science.gov (United States)

Rothschild, Lynn J.

2016-01-01

Human exploration off planet is severely limited by the cost of launching materials into space and by re-supply. Thus materials brought from Earth must be light, stable and reliable at destination. Using traditional approaches, a lunar or Mars base would require either transporting a hefty store of metals or heavy manufacturing equipment and construction materials for in situ extraction; both would severely limit any other mission objectives. Long-term human space presence requires periodic replenishment, adding a massive cost overhead. Even robotic missions often sacrifice science goals for heavy radiation and thermal protection. Biology has the potential to solve these problems because life can replicate and repair itself, and perform a wide variety of chemical reactions including making food, fuel and materials. Synthetic biology enhances and expands life's evolved repertoire. Using organisms as feedstock, additive manufacturing through bioprinting will make possible the dream of producing bespoke tools, food, smart fabrics and even replacement organs on demand. This new approach and the resulting novel products will enable human exploration and settlement on Mars, while providing new manufacturing approaches for life on Earth.

Fabrication of Coaxial Si(1-x)Ge(x) Heterostructure Nanowires by O(2) Flow-Induced Bifurcate Reactions.

Science.gov (United States)

Kim, Ilsoo; Lee, Ki-Young; Kim, Ungkil; Park, Yong-Hee; Park, Tae-Eon; Choi, Heon-Jin

2010-06-17

We report on bifurcate reactions on the surface of well-aligned Si(1-x)Ge(x) nanowires that enable fabrication of two different coaxial heterostructure nanowires. The Si(1-x)Ge(x) nanowires were grown in a chemical vapor transport process using SiCl(4) gas and Ge powder as a source. After the growth of nanowires, SiCl(4) flow was terminated while O(2) gas flow was introduced under vacuum. On the surface of nanowires was deposited Ge by the vapor from the Ge powder or oxidized into SiO(2) by the O(2) gas. The transition from deposition to oxidation occurred abruptly at 2 torr of O(2) pressure without any intermediate region and enables selectively fabricated Ge/Si(1-x)Ge(x) or SiO(2)/Si(1-x)Ge(x) coaxial heterostructure nanowires. The rate of deposition and oxidation was dominated by interfacial reaction and diffusion of oxygen through the oxide layer, respectively.

Fabrication of Coaxial Si1−xGex Heterostructure Nanowires by O2 Flow-Induced Bifurcate Reactions

Directory of Open Access Journals (Sweden)

Kim Ilsoo

2010-01-01

Full Text Available Abstract We report on bifurcate reactions on the surface of well-aligned Si1−xGex nanowires that enable fabrication of two different coaxial heterostructure nanowires. The Si1−xGex nanowires were grown in a chemical vapor transport process using SiCl4 gas and Ge powder as a source. After the growth of nanowires, SiCl4 flow was terminated while O2 gas flow was introduced under vacuum. On the surface of nanowires was deposited Ge by the vapor from the Ge powder or oxidized into SiO2 by the O2 gas. The transition from deposition to oxidation occurred abruptly at 2 torr of O2 pressure without any intermediate region and enables selectively fabricated Ge/Si1−xGex or SiO2/Si1−xGex coaxial heterostructure nanowires. The rate of deposition and oxidation was dominated by interfacial reaction and diffusion of oxygen through the oxide layer, respectively.

Modeling thermal spike driven reactions at low temperature and application to zirconium carbide radiation damage

Science.gov (United States)

Ulmer, Christopher J.; Motta, Arthur T.

2017-11-01

The development of TEM-visible damage in materials under irradiation at cryogenic temperatures cannot be explained using classical rate theory modeling with thermally activated reactions since at low temperatures thermal reaction rates are too low. Although point defect mobility approaches zero at low temperature, the thermal spikes induced by displacement cascades enable some atom mobility as it cools. In this work a model is developed to calculate "athermal" reaction rates from the atomic mobility within the irradiation-induced thermal spikes, including both displacement cascades and electronic stopping. The athermal reaction rates are added to a simple rate theory cluster dynamics model to allow for the simulation of microstructure evolution during irradiation at cryogenic temperatures. The rate theory model is applied to in-situ irradiation of ZrC and compares well at cryogenic temperatures. The results show that the addition of the thermal spike model makes it possible to rationalize microstructure evolution in the low temperature regime.

DOE ASR Final Report on “Use of ARM Observations to Investigate the Role of Tropical Radiative Processes and Cloud Radiative Effects in Climate Simulations”

Energy Technology Data Exchange (ETDEWEB)

Fu, Qiang [Univ. of Washington, Seattle, WA (United States). Dept. of Atmospheric Sciences; Comstock, Jennifer [Univ. of Washington, Seattle, WA (United States). Dept. of Atmospheric Sciences

2018-01-29

The overall objective of this ASR funded project is to investigate the role of cloud radiative effects, especially those associated with tropical thin cirrus clouds in the tropical tropopause layer, by analyzing the ARM observations combined with numerical models. In particular, we have processed and analyzed the observations from the Raman lidar at the ARM SGP and TWP sites. In the tenure of the project (8/15/2013 – 8/14/2016 and with a no-cost extension to 8/14/2017), we have been concentrating on (i) developing an automated feature detection scheme of clouds and aerosols for the ARM Raman lidar; (ii) developing an automated retrieval of cloud and aerosol extinctions for the ARM Raman lidar; (iii) investigating cloud radiative effects based on the observations on the simulated temperatures in the tropical tropopause layer using a radiative-convective model; and (iv) examining the effect of changes of atmospheric composition on the tropical lower-stratospheric temperatures. In addition, we have examined the biases in the CALIPSO-inferred aerosol direct radiative effects using ground-based Raman lidars at the ARM SGP and TWP sites, and estimated the impact of lidar detection sensitivity on assessing global aerosol direct radiative effects. We have also investigated the diurnal cycle of clouds and precipitation at the ARM site using the cloud radar observations along with simulations from the multiscale modeling framework. The main results of our research efforts are reported in the six referred journal publications that acknowledge the DOE Grant DE-SC0010557.

Transfer reactions in inverse kinematics at REX-ISOLDE

CERN Document Server

Tengborn, E

Research on the structure of exotic nuclei is one of the most intriguing topics in present day nuclear physics. With the use of facilities for isotope separation on-line, such as ISOLDE at CERN, short-lived isotopes can be studied experimentally. Since 2002, the REX-ISOLDE facility enables radioactive ions produced by ISOLDE to be post-accelerated, increasing the energy of the ions enough to do nuclear transfer reactions in inverse kinematics. In this thesis, transfer reactions are used to study the structure of neutron-rich lithium isotopes through a series of experiments at REX-ISOLDE. The first experiment used a 9Li beam at 2.36 MeV/u impinging on a deuterated polyethylene target to study 10Li, 9Li and 8Li. For the (d,p)-channel the resonance ground state and a first excited state are observed and the results agree with theoretical calculations. The elastic channel agrees with Optical Model, OM, calculations. For the (d,t)-channel the shape of the angular distribution agrees with Distorted Wave Born Approx...

Optofluidic UV-Vis spectrophotometer for online monitoring of photocatalytic reactions.

Science.gov (United States)

Wang, Ning; Tan, Furui; Zhao, Yu; Tsoi, Chi Chung; Fan, Xudong; Yu, Weixing; Zhang, Xuming

2016-06-29

On-chip integration of optical detection units into the microfluidic systems for online monitoring is highly desirable for many applications and is also well in line with the spirit of optofluidics technology-fusion of optics and microfluidics for advanced functionalities. This paper reports the construction of a UV-Vis spectrophotometer on a microreactor, and demonstrates the online monitoring of the photocatalytic degradations of methylene blue and methyl orange under different flow rates and different pH values by detecting the intensity change and/or the peak shift. The integrated device consists of a TiO2-coated glass substrate, a PDMS micro-sized reaction chamber and two flow cells. By comparing with the results of commercial equipment, we have found that the measuring range and the sensitivity are acceptable, especially when the transmittance is in the range of 0.01-0.9. This integrated optofluidic device can significantly cut down the test time and the sample volume, and would provide a versatile platform for real-time characterization of photochemical performance. Moreover, its online monitoring capability may enable to access the usually hidden information in biochemical reactions like intermediate products, time-dependent processes and reaction kinetics.

Optofluidic UV-Vis spectrophotometer for online monitoring of photocatalytic reactions

Science.gov (United States)

Wang, Ning; Tan, Furui; Zhao, Yu; Tsoi, Chi Chung; Fan, Xudong; Yu, Weixing; Zhang, Xuming

2016-06-01

On-chip integration of optical detection units into the microfluidic systems for online monitoring is highly desirable for many applications and is also well in line with the spirit of optofluidics technology-fusion of optics and microfluidics for advanced functionalities. This paper reports the construction of a UV-Vis spectrophotometer on a microreactor, and demonstrates the online monitoring of the photocatalytic degradations of methylene blue and methyl orange under different flow rates and different pH values by detecting the intensity change and/or the peak shift. The integrated device consists of a TiO2-coated glass substrate, a PDMS micro-sized reaction chamber and two flow cells. By comparing with the results of commercial equipment, we have found that the measuring range and the sensitivity are acceptable, especially when the transmittance is in the range of 0.01-0.9. This integrated optofluidic device can significantly cut down the test time and the sample volume, and would provide a versatile platform for real-time characterization of photochemical performance. Moreover, its online monitoring capability may enable to access the usually hidden information in biochemical reactions like intermediate products, time-dependent processes and reaction kinetics.

Integrated subsurface water solutions for coastal environments through integrated pump&treat and aquifer storage and recovery (ASR) schemes

Science.gov (United States)

Perdikaki, Martha; Kallioras, Andreas; Christoforidis, Christophoros; Iossifidis, Dimitris; Zafeiropoulos, Anastasios; Dimitriadis, Klisthenis; Makropoulos, Christos; Raat, Klaasjan; van den Berg, Gerard

2016-04-01

Coastal wetlands in semi-arid regions, as in Circum-Mediterranean, are considered important ecosystems that provide valuable services to human population and the environment, such as: flood protection, erosion control, wildlife habitat, water quality, recreation and carbon sequestration. Un-managed surface and groundwater exploitation in these areas usually leads to deterioration of such sensitive ecosystems by means of water resources degradation and/or increased salinity. Groundwater usually plays a vital role for the sustainability of these hydrological systems, as the underlying aquifers operate as regulators for both quantity and quality of their waters. Multi-layer and multi-objective Managed Aquifer Recharge (MAR) systems can be proved effective groundwater engineered solutions for the restoration of deteriorated coastal wetlands in semi- and arid regions. The plain of Marathon is a typical Mediterranean environment that hosts a naturally occurring -and today degraded- coastal wetland with the characteristics of a distinct ecosystem linked to a typical coastal hydrogeological system of a semi-arid region; and therefore can serve as a model for similar systems world-wide. The geo-hydrological setting of the area involves a multi-layer aquifer system consisting of (i) an upper un-consolidated formation of depositional unit dominated mostly by fluvial sediments and (ii) the surrounding and underlying karstified marbles; both being linked to the investigated wetland and also subjected to seawater encroachment. A smart engineered MAR system via an optimised Pump & Treat system integrated with an Aquifer Storage and Recovery (ASR) scheme in this area would include the abstraction of brackish groundwater from the deeper karst aquifer at a location close to the shoreline and direct treatment with Reverse Osmosis (RO). for desalination. Two-fold re-use scheme of the purified effluent can then be engineered for (i) the restoration of the coastal wetland; and (ii

Effect of speech-intrinsic variations on human and automatic recognition of spoken phonemes.

Science.gov (United States)

Meyer, Bernd T; Brand, Thomas; Kollmeier, Birger

2011-01-01

The aim of this study is to quantify the gap between the recognition performance of human listeners and an automatic speech recognition (ASR) system with special focus on intrinsic variations of speech, such as speaking rate and effort, altered pitch, and the presence of dialect and accent. Second, it is investigated if the most common ASR features contain all information required to recognize speech in noisy environments by using resynthesized ASR features in listening experiments. For the phoneme recognition task, the ASR system achieved the human performance level only when the signal-to-noise ratio (SNR) was increased by 15 dB, which is an estimate for the human-machine gap in terms of the SNR. The major part of this gap is attributed to the feature extraction stage, since human listeners achieve comparable recognition scores when the SNR difference between unaltered and resynthesized utterances is 10 dB. Intrinsic variabilities result in strong increases of error rates, both in human speech recognition (HSR) and ASR (with a relative increase of up to 120%). An analysis of phoneme duration and recognition rates indicates that human listeners are better able to identify temporal cues than the machine at low SNRs, which suggests incorporating information about the temporal dynamics of speech into ASR systems.

Chemistry and kinetics of size-selected cobalt cluster cations at thermal energies. I. Reactions with CO

Science.gov (United States)

Guo, B. C.; Kerns, K. P.; Castleman, A. W., Jr.

1992-06-01

The chemistry and kinetics of size-selected Co+n cluster-ion (n=2-8) reactions with CO are studied using a selected ion drift tube affixed with a laser vaporization source operated under well-defined thermal conditions. All reactions studied in the present work are found to be association reactions. Their absolute rate constants, which are determined quantitatively, are found to have a strong dependence on cluster size. Similar to the cases of reactions with many other reactants such as H2 and CH4, Co+4 and Co+5 display a higher reactivity toward the CO molecule than do clusters of neighboring size. The multiple-collision conditions employed in the present work have enabled a determination of the maximum coordination number of CO molecules bound onto each Co+n cluster. It is found that the tetramer tends to bond 12 CO molecules, the pentamer 14 CO, hexamer 16 CO, and so on. The results are interpreted in terms of Lauher's calculation and the polyhedral skeletal electron pair theory. All the measured maximum coordination numbers correlate extremely well with the predictions of these theories, except for the trimer where the measured number is one CO less than the predicted value. The good agreement between experiment and theory enables one to gain some insight into the geometric structure of the clusters. Based on the present findings, the cobalt tetramer cation is interpreted to have a tetrahedral structure, the pentamer a trigonal bipyramid, and the hexamer an octahedral structure. Other cluster structures are also discussed.

Ligand-Enabled γ-C(sp3)–H Olefination of Amines: En Route to Pyrrolidines

Science.gov (United States)

Jiang, Heng; He, Jian; Liu, Tao

2016-01-01

Pd(II)-catalyzed olefination of γ-C(sp3)–H bonds of triflyl (Tf) and 4-nitrobenzenesulfonyl (Ns) protected amines is achieved. Subsequent aza-Wacker oxidative cyclization or conjugate addition of the olefinated intermediates provides a variety of C-2 alkylated pyrrolidines. Three pyridine- and quinoline-based ligands are developed to match different classes of amine substrates, demonstrating a rare example of ligand-enabled C(sp3)–H olefination reaction. The use of Ns protecting group to direct C(sp3)–H activation of alkyl amine is also a significant step towards practical C–H functionalizations of alkyl amines. PMID:26796676

Kinetic modelling of hydro-treatment reactions by study of different chemical groups; Modelisation cinetique des reactions d`hydrotraitement par regroupement en familles chimiques

Energy Technology Data Exchange (ETDEWEB)

Bonnardot, J

1998-11-19

Hydro-treatment of petroleum shortcuts permits elimination of unwanted components in order to increase combustion in engine and to decrease atmospheric pollution. Hydro-desulfurization (HDS), Hydro-denitrogenation (HDN) and Hydrogenation of aromatics (HDA) of a LCO (Light Cycle Oil)-Type gas oil have been studied using a new pilot at a fixed temperature with a NiMo/Al{sub 2}O{sub 3} catalyst. A hydrodynamic study showed that reactions occurring in the up-flow fixed bed reactor that has been used during the experiments, were governed exclusively by chemical reaction rates and not by diffusion. Through detailed chemical analysis, height chemical groups have been considered: three aromatics groups, one sulfided group, one nitrogenized and NH{sub 3}, H{sub 2}S, H{sub 2}. Two Langmuir-Hinshelwood-type kinetic models with either one or two types of sites have been established. The model with two types of site - one site of hydrogenation and one site of hydrogenolysis - showed a better fit in the modeling of the experimental results. This model enables to forecast the influence of partial pressure of H{sub 2}S and partial pressure of H{sub 2} on hydro-treatment reactions of a LCO-type gas oil. (author) 119 refs.

Head injury in asylum seekers and refugees referred with psychological trauma

OpenAIRE

Doherty, S.M.; Craig, R.; Gardani, M.; McMillan, T.M.

2016-01-01

Objective. Individuals who seek asylum are frequently fleeing violent persecution and may experience head injury (HI). However, little is known about the prevalence of HI in asylum seekers and refugees (ASR) despite the potential for HI to significantly affect cognitive and emotional functioning and to compromise asylum outcomes. This preliminary study investigates the prevalence of HI in ASR referred to a complex psychological trauma service. Method. Participants were 115 adult ASR referred ...

A methodology of error detection: Improving speech recognition in radiology

OpenAIRE

Voll, Kimberly Dawn

2006-01-01

Automated speech recognition (ASR) in radiology report dictation demands highly accurate and robust recognition software. Despite vendor claims, current implementations are suboptimal, leading to poor accuracy, and time and money wasted on proofreading. Thus, other methods must be considered for increasing the reliability and performance of ASR before it is a viable alternative to human transcription. One such method is post-ASR error detection, used to recover from the inaccuracy of speech r...

Hybrid Locomotion Evaluation for a Novel Amphibious Spherical Robot

Directory of Open Access Journals (Sweden)

Huiming Xing

2018-01-01

Full Text Available We describe the novel, multiply gaited, vectored water-jet, hybrid locomotion-capable, amphibious spherical robot III (termed ASR-III featuring a wheel-legged, water-jet composite driving system incorporating a lifting and supporting wheel mechanism (LSWM and mechanical legs with a water-jet thruster. The LSWM allows the ASR-III to support the body and slide flexibly on smooth (flat terrain. The composite driving system facilitates two on-land locomotion modes (sliding and walking and underwater locomotion mode with vectored thrusters, improving adaptability to the amphibious environment. Sliding locomotion improves the stability and maneuverability of ASR-III on smooth flat terrain, whereas walking locomotion allows ASR-III to conquer rough terrain. We used both forward and reverse kinematic models to evaluate the walking and sliding gait efficiency. The robot can also realize underwater locomotion with four vectored water-jet thrusters, and is capable of forward motion, heading angle control and depth control. We evaluated LSWM efficiency and the sliding velocities associated with varying extensions of the LSWM. To explore gait stability and mobility, we performed on-land experiments on smooth flat terrain to define the optimal stride length and frequency. We also evaluated the efficacy of waypoint tracking when the sliding gait was employed, using a closed-loop proportional-integral-derivative (PID control mechanism. Moreover, experiments of forward locomotion, heading angle control and depth control were conducted to verify the underwater performance of ASR-III. Comparison of the previous robot and ASR-III demonstrated the ASR-III had better amphibious motion performance.

Animal Study Registries: Results from a Stakeholder Analysis on Potential Strengths, Weaknesses, Facilitators, and Barriers.

Science.gov (United States)

Wieschowski, Susanne; Silva, Diego S; Strech, Daniel

2016-11-01

Publication bias in animal research, its extent, its predictors, and its potential countermeasures are increasingly discussed. Recent reports and conferences highlight the potential strengths of animal study registries (ASRs) in this regard. Others have warned that prospective registration of animal studies could diminish creativity, add administrative burdens, and complicate intellectual property issues in translational research. A literature review and 21 international key-informant interviews were conducted and thematically analyzed to develop a comprehensive matrix of main- and subcategories for potential ASR-related strengths, weaknesses, facilitators, and barriers (SWFBs). We identified 130 potential SWFBs. All stakeholder groups agreed that ASRs could in various ways improve the quality and refinement of animal studies while allowing their number to be reduced, as well as supporting meta-research on animal studies. However, all stakeholder groups also highlighted the potential for theft of ideas, higher administrative burdens, and reduced creativity and serendipity in animal studies. Much more detailed reasoning was captured in the interviews than is currently found in the literature, providing a comprehensive account of the issues and arguments around ASRs. All stakeholder groups highlighted compelling potential strengths of ASRs. Although substantial weaknesses and implementation barriers were highlighted as well, different governance measures might help to minimize or even eliminate their impact. Such measures might include confidentiality time frames for accessing prospectively registered protocols, harmonized reporting requirements across ASRs, ethics reviews, lab notebooks, and journal submissions. The comprehensive information gathered in this study could help to guide a more evidence-based debate and to design pilot tests for ASRs.

Animal Study Registries: Results from a Stakeholder Analysis on Potential Strengths, Weaknesses, Facilitators, and Barriers.

Directory of Open Access Journals (Sweden)

Susanne Wieschowski

2016-11-01

Full Text Available Publication bias in animal research, its extent, its predictors, and its potential countermeasures are increasingly discussed. Recent reports and conferences highlight the potential strengths of animal study registries (ASRs in this regard. Others have warned that prospective registration of animal studies could diminish creativity, add administrative burdens, and complicate intellectual property issues in translational research. A literature review and 21 international key-informant interviews were conducted and thematically analyzed to develop a comprehensive matrix of main- and subcategories for potential ASR-related strengths, weaknesses, facilitators, and barriers (SWFBs. We identified 130 potential SWFBs. All stakeholder groups agreed that ASRs could in various ways improve the quality and refinement of animal studies while allowing their number to be reduced, as well as supporting meta-research on animal studies. However, all stakeholder groups also highlighted the potential for theft of ideas, higher administrative burdens, and reduced creativity and serendipity in animal studies. Much more detailed reasoning was captured in the interviews than is currently found in the literature, providing a comprehensive account of the issues and arguments around ASRs. All stakeholder groups highlighted compelling potential strengths of ASRs. Although substantial weaknesses and implementation barriers were highlighted as well, different governance measures might help to minimize or even eliminate their impact. Such measures might include confidentiality time frames for accessing prospectively registered protocols, harmonized reporting requirements across ASRs, ethics reviews, lab notebooks, and journal submissions. The comprehensive information gathered in this study could help to guide a more evidence-based debate and to design pilot tests for ASRs.

An Internet enabled impact limiter material database

Energy Technology Data Exchange (ETDEWEB)

Wix, S.; Kanipe, F.; McMurtry, W.

1998-09-01

This paper presents a detailed explanation of the construction of an interest enabled database, also known as a database driven web site. The data contained in the internet enabled database are impact limiter material and seal properties. The technique used in constructing the internet enabled database presented in this paper are applicable when information that is changing in content needs to be disseminated to a wide audience.

An Internet enabled impact limiter material database

International Nuclear Information System (INIS)

Wix, S.; Kanipe, F.; McMurtry, W.

1998-01-01

This paper presents a detailed explanation of the construction of an interest enabled database, also known as a database driven web site. The data contained in the internet enabled database are impact limiter material and seal properties. The technique used in constructing the internet enabled database presented in this paper are applicable when information that is changing in content needs to be disseminated to a wide audience

5G-Enabled Tactile Internet

OpenAIRE

Simsek, Meryem; Aijaz, Adnan; Dohler, Mischa; Sachs, Joachim; Fettweis, Gerhard

2016-01-01

The long-term ambition of the Tactile Internet is to enable a democratization of skill, and how it is being delivered globally. An integral part of this is to be able to transmit touch in perceived real-time, which is enabled by suitable robotics and haptics equipment at the edges, along with an unprecedented communications network. The fifth generation (5G) mobile communications systems will underpin this emerging Internet at the wireless edge. This paper presents the most important technolo...

An internet enabled impact limiter material database

Energy Technology Data Exchange (ETDEWEB)

Wix, S.; Kanipe, F.; McMurtry, W. [Sandia National Labs., Albuquerque, NM (United States)

1998-07-01

This paper presents a detailed explanation of the construction of an internet enabled database, also known as a database driven web site. The data contained in the internet enabled database are impact limiter material and seal properties. The techniques used in constructing the internet enabled database presented in this paper are applicable when information that is changing in content needs to be disseminated to a wide audience. (authors)

An internet enabled impact limiter material database

International Nuclear Information System (INIS)

Wix, S.; Kanipe, F.; McMurtry, W.

1998-01-01

This paper presents a detailed explanation of the construction of an internet enabled database, also known as a database driven web site. The data contained in the internet enabled database are impact limiter material and seal properties. The techniques used in constructing the internet enabled database presented in this paper are applicable when information that is changing in content needs to be disseminated to a wide audience. (authors)

Reaction Decoder Tool (RDT): extracting features from chemical reactions.

Science.gov (United States)

Rahman, Syed Asad; Torrance, Gilliean; Baldacci, Lorenzo; Martínez Cuesta, Sergio; Fenninger, Franz; Gopal, Nimish; Choudhary, Saket; May, John W; Holliday, Gemma L; Steinbeck, Christoph; Thornton, Janet M

2016-07-01

Extracting chemical features like Atom-Atom Mapping (AAM), Bond Changes (BCs) and Reaction Centres from biochemical reactions helps us understand the chemical composition of enzymatic reactions. Reaction Decoder is a robust command line tool, which performs this task with high accuracy. It supports standard chemical input/output exchange formats i.e. RXN/SMILES, computes AAM, highlights BCs and creates images of the mapped reaction. This aids in the analysis of metabolic pathways and the ability to perform comparative studies of chemical reactions based on these features. This software is implemented in Java, supported on Windows, Linux and Mac OSX, and freely available at https://github.com/asad/ReactionDecoder : asad@ebi.ac.uk or s9asad@gmail.com. © The Author 2016. Published by Oxford University Press.

Cascade olefin isomerization/intramolecular Diels-Alder reaction catalyzed by N-heterocyclic carbenes.

Science.gov (United States)

Kowalczyk, Marcin; Lupton, David W

2014-05-19

The addition of an N-heterocyclic carbene to the carbonyl group of an α,β,γ,δ-unsaturated enol ester affords a hemiacetal azolium intermediate that enables a cascade olefin isomerization/Diels-Alder reaction, for which mechanistic studies implicate Lewis base catalysis. Preliminary studies into the utility of the products have been undertaken with reductive and oxidative cleavage, giving materials for potential use in complex-target synthesis. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

'Ethos' Enabling Organisational Knowledge Creation

Science.gov (United States)

Matsudaira, Yoshito

This paper examines knowledge creation in relation to improvements on the production line in the manufacturing department of Nissan Motor Company and aims to clarify embodied knowledge observed in the actions of organisational members who enable knowledge creation will be clarified. For that purpose, this study adopts an approach that adds a first, second, and third-person's viewpoint to the theory of knowledge creation. Embodied knowledge, observed in the actions of organisational members who enable knowledge creation, is the continued practice of 'ethos' (in Greek) founded in Nissan Production Way as an ethical basis. Ethos is knowledge (intangible) assets for knowledge creating companies. Substantiated analysis classifies ethos into three categories: the individual, team and organisation. This indicates the precise actions of the organisational members in each category during the knowledge creation process. This research will be successful in its role of showing the indispensability of ethos - the new concept of knowledge assets, which enables knowledge creation -for future knowledge-based management in the knowledge society.

Eighty years of cooperative water science

Science.gov (United States)

Stone, Mandy L.

2017-05-09

The Equus Beds aquifer in south-central Kansas is a primary water source for the city of Wichita. The Equus Beds aquifer storage and recovery (ASR) project was developed to help the city of Wichita meet increasing current and future demands. The Equus Beds ASR project is a recent part of an 80-year cooperative water science effort with the city of Wichita. The U.S. Geological Survey (USGS) Kansas Water Science Center characterizes river and aquifer water-quality and quantity and evaluates changes that may or may not be related to ASR. The USGS data are used by the city of Wichita to make informed management decisions, satisfy regulatory requirements, and serve as a baseline to detect any subsequent changes that may be related to ASR.

Effect of nano clay particles on mechanical, thermal and physical behaviours of waste-glass cement mortars

International Nuclear Information System (INIS)

Aly, M.; Hashmi, M.S.J.; Olabi, A.G.; Messeiry, M.; Hussain, A.I.

2011-01-01

Highlights: → Glass powder (GP) and nano clay (NC) were used as a partial cement replacement in cement mortar (CM). → No damaging effect can be detected due to the reaction between GP and CM with particle size up to 75 μm. → Hybrid combination of GP/NC greatly improved mechanical properties and microstructure of CM. - Abstract: Worldwide, around 2.6 billion tons of cement is produced annually. This huge size of production consumes large amounts of energy and is one of the largest contributors to carbon dioxide (CO 2 ) release. Accordingly, there is a pressing demand to minimise the quantity of cement used in the concrete industry. The main challenge to this is to get durable concrete with less cement and within reasonable cost. The economic, environmental and engineering benefits of reusing ground waste-glass powder (WGP) as a partial cement replacement has been established, but low glass reactivity and the possible alkali-silica reaction (ASR) are a drawback. Recent advances in nano-technology have revealed that nano-sized particles such as nano clay (NC) have a high surface area to volume ratio that provides the potential for tremendous chemical reactivity, accelerating pozzolanic activity and hindering ASR. This paper presents a laboratory study of the properties of NC/WGP cement composites. The microstructure, ASR, fracture energy, compressive and flexural properties of cement mortars containing WGP as a cement replacement with and without NC are investigated and compared with plain matrix. In addition, the hydration of cement compounds was followed by differential thermal analysis (DTA), thermogravimetric analysis (TGA), and also X-ray diffraction (XRD). The results showed that incorporation of glass powder has a positive effect on the mechanical properties of cement mortars after 28 days of hydration. Also, the results revealed that the mechanical properties of the cement mortars with a hybrid combination of glass powder and NC were all higher than

Base voltammetric characterization of phenylazide modified deoxycytidine - the potential DNA redox label enabling its post-synthetic modifications by "click-reactions"

Czech Academy of Sciences Publication Activity Database

Daňhel, Aleš; Trošanová, Zuzana; Balintová, Jana; Havran, Luděk; Hocek, Michal; Fojta, Miroslav

2013-01-01

Roč. 9, č. 1 (2013), s. 140-141 ISSN 1336-7242. [Zjazd chemikov /65./. 09.09.2013-13.09.2013, Tatranské Matliare] R&D Projects: GA ČR GBP206/12/G151; GA AV ČR(CZ) IAA400040901 Grant - others:MŠMT(CZ) CZ.1.07/2.3.00/30.0019 Institutional support: RVO:61388963 ; RVO:68081707 Keywords : DNA redox label * click-reaction Subject RIV: CC - Organic Chemistry

Ejection of Coulomb Crystals from a Linear Paul Ion Trap for Ion-Molecule Reaction Studies.

Science.gov (United States)

Meyer, K A E; Pollum, L L; Petralia, L S; Tauschinsky, A; Rennick, C J; Softley, T P; Heazlewood, B R

2015-12-17

Coulomb crystals are being increasingly employed as a highly localized source of cold ions for the study of ion-molecule chemical reactions. To extend the scope of reactions that can be studied in Coulomb crystals-from simple reactions involving laser-cooled atomic ions, to more complex systems where molecular reactants give rise to multiple product channels-sensitive product detection methodologies are required. The use of a digital ion trap (DIT) and a new damped cosine trap (DCT) are described, which facilitate the ejection of Coulomb-crystallized ions onto an external detector for the recording of time-of-flight (TOF) mass spectra. This enables the examination of reaction dynamics and kinetics between Coulomb-crystallized ions and neutral molecules: ionic products are typically cotrapped, thus ejecting the crystal onto an external detector reveals the masses, identities, and quantities of all ionic species at a selected point in the reaction. Two reaction systems are examined: the reaction of Ca(+) with deuterated isotopologues of water, and the charge exchange between cotrapped Xe(+) with deuterated isotopologues of ammonia. These reactions are examples of two distinct types of experiment, the first involving direct reaction of the laser-cooled ions, and the second involving reaction of sympathetically-cooled heavy ions to form a mixture of light product ions. Extensive simulations are conducted to interpret experimental results and calculate optimal operating parameters, facilitating a comparison between the DIT and DCT approaches. The simulations also demonstrate a correlation between crystal shape and image shape on the detector, suggesting a possible means for determining crystal geometry for nonfluorescing ions.

Fast screening of analytes for chemical reactions by reactive low-temperature plasma ionization mass spectrometry.

Science.gov (United States)

Zhang, Wei; Huang, Guangming

2015-11-15

Approaches for analyte screening have been used to aid in the fine-tuning of chemical reactions. Herein, we present a simple and straightforward analyte screening method for chemical reactions via reactive low-temperature plasma ionization mass spectrometry (reactive LTP-MS). Solution-phase reagents deposited on sample substrates were desorbed into the vapor phase by action of the LTP and by thermal desorption. Treated with LTP, both reagents reacted through a vapor phase ion/molecule reaction to generate the product. Finally, protonated reagents and products were identified by LTP-MS. Reaction products from imine formation reaction, Eschweiler-Clarke methylation and the Eberlin reaction were detected via reactive LTP-MS. Products from the imine formation reaction with reagents substituted with different functional groups (26 out of 28 trials) were successfully screened in a time of 30 s each. Besides, two short-lived reactive intermediates of Eschweiler-Clarke methylation were also detected. LTP in this study serves both as an ambient ionization source for analyte identification (including reagents, intermediates and products) and as a means to produce reagent ions to assist gas-phase ion/molecule reactions. The present reactive LTP-MS method enables fast screening for several analytes from several chemical reactions, which possesses good reagent compatibility and the potential to perform high-throughput analyte screening. In addition, with the detection of various reactive intermediates (intermediates I and II of Eschweiler-Clarke methylation), the present method would also contribute to revealing and elucidating reaction mechanisms. Copyright © 2015 John Wiley & Sons, Ltd.

A Self-Assembled Trigonal Prismatic Molecular Vessel for Catalytic Dehydration Reactions in Water.

Science.gov (United States)

Das, Paramita; Kumar, Atul; Howlader, Prodip; Mukherjee, Partha Sarathi

2017-09-12

A water-soluble Pd 6 trigonal prism (A) was synthesized by two-component coordination-driven self-assembly of a Pd II 90° acceptor with a tetraimidazole donor. The walls of the prism are constructed by three conjugated aromatic building blocks, which means that the confined pocket of the prism is hydrophobic. In addition to the hydrophobic cavity, large product egress windows make A an ideal molecular vessel to catalyze otherwise challenging pseudo-multicomponent dehydration reactions in its confined nanospace in aqueous medium. This study is an attempt at selective generation of the intermediate tetraketones and xanthenes by fine-tuning the reaction conditions employing a supramolecular molecular vessel. Moreover, either poor or no yield of the dehydrated products in the absence of A under similar reaction conditions supports the ability of the confined space of the barrel to promote such reactions in water. Furthermore, we focused on the rigidification of the tetraphenylethylene-based tetraimidazole unit anchored within the Pd II coordination architecture; enabling counter-anion dependent aggregation induced emission in the presence of water. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

SAR Cross-Ambiguities in SAOCOM-CS Large Baseline Bistatic Configuration

OpenAIRE

Bordoni, Federica; Rodriguez-Cassola, Marc; Younis, Marwan; Prats-Iraola, Pau; Lopez-Dekker, Paco; Krieger, Gerhard

2016-01-01

The evaluation of the ambiguous signal level, the Ambiguity-to-Signal Ratio (ASR), plays a key role in the Synthetic Aperture Radar (SAR) design and performance prediction. In conventional SAR acquisition scenarios, the computation of the ASR is based on the evaluation of the range and azimuth ambiguous contributes. Though appealing for its simplicity, this approach could be inaccurate in case of complex SAR acquisition geometries. In this paper we focus on the ASR performance of the SAOCOM-...

A Study on Efficient Robust Speech Recognition with Stochastic Dynamic Time Warping

OpenAIRE

孫, 喜浩

2014-01-01

In recent years, great progress has been made in automatic speech recognition (ASR) system. The hidden Markov model (HMM) and dynamic time warping (DTW) are the two main algorithms which have been widely applied to ASR system. Although, HMM technique achieves higher recognition accuracy in clear speech environment and noisy environment. It needs large-set of words and realizes the algorithm more complexly.Thus, more and more researchers have focused on DTW-based ASR system.Dynamic time warpin...

RILEM TC ISR Summer 2015 Activity Report

Energy Technology Data Exchange (ETDEWEB)

Le Pape, Yann [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2015-08-01

With aging infrastructures, instances of Alkali Silica Reaction (ASR) and Delayed Ettringite Formation (DEF), broadly covered under the term Internal Swelling Reaction (ISR), are increasingly being detected. They have been observed in bridges, dams, and most recently in nuclear power plants. Concrete swelling may result in bridge partial failure, dams with structural cracks and misaligned turbine shafts, and locked slice gates. For nuclear reactors micro-cracks may cause increased gas permeability which will jeopardize the containment integrity and may decrease the residual structural resistance under accidental loading. This TC, which limits its activity to structures with known expansive concrete, seeks to address two complementary but fundamental questions: a) What is the kinetics of the reaction and b) How would it affect the integrity of the structure (serviceability and strength) and thus establish a science based prognostic to the structure owner.

The reactions K-p→Λπ0, Λeta, Λeta' at 4.2 GeV/c

International Nuclear Information System (INIS)

Marzano, F.; Hemingway, R.J.; Loverre, P.F.; Marechal, B.; Schrempp, B.; Blokzijl, R.; Hoogland, W.; Kluyver, J.C.; Massaro, G.G.G.; Tiecke, H.G.; Walle, R.T. van de; Vergeest, J.S.M.

1977-01-01

In a high statistics CERN 2 m bubble chamber experiment the differential cross sections and polarizations of the Λ for the reactions K - p→Λπ 0 , Λeta, Λeta' at 4.2 GeV/c have been measured. The reaction K - p→Λeta exhibits a pronounced dip around -t approximately 0.5 (GeV/c) 2 and all three reactions show a significant backward peaking (-u 2 ). The Λ polarization in the reaction K - p→Λπ 0 is measured to be significantly different from zero throughout most of the available t-range. Forward cross sections enable a determination of Rsub(T), the ratio of singlet/octet coupling eta 1 KK**/eta 8 KK**. Backward cross sections are utilized to estimate the effective eta-nucleon coupling constant gsub(etaNN) 2 over the -u range 0-1.5 (GeV/c) 2 . (Auth.)

Iron(III Fluorinated Porphyrins: Greener Chemistry from Synthesis to Oxidative Catalysis Reactions

Directory of Open Access Journals (Sweden)

Susana L. H. Rebelo

2016-04-01

Full Text Available Iron(III fluorinated porphyrins play a central role in the biomimetics of heme enzymes and enable cleaner routes to the oxidation of organic compounds. The present work reports significant improvements in the eco-compatibility of the synthesis of 5,10,15,20-tetrakis-pentafluorophenylporphyrin (H2TPFPP and the corresponding iron complex [Fe(TPFPPCl], and the use of [Fe(TPFPPCl] as an oxidation catalyst in green conditions. The preparations of H2TPFPP and [Fe(TPFPPCl] typically use toxic solvents and can be made significantly greener and simpler using microwave heating and optimization of the reaction conditions. In the optimized procedure it was possible to eliminate nitrobenzene from the porphyrin synthesis and replace DMF by acetonitrile in the metalation reaction, concomitant with a significant reduction of reaction time and simplification of the purification procedure. The Fe(IIIporphyrin is then tested as catalyst in the selective oxidation of aromatics at room temperature using a green oxidant (hydrogen peroxide and green solvent (ethanol. Efficient epoxidation of indene and selective oxidation of 3,5-dimethylphenol and naphthalene to the corresponding quinones is observed.

Iron(III) Fluorinated Porphyrins: Greener Chemistry from Synthesis to Oxidative Catalysis Reactions.

Science.gov (United States)

Rebelo, Susana L H; Silva, André M N; Medforth, Craig J; Freire, Cristina

2016-04-12

Iron(III) fluorinated porphyrins play a central role in the biomimetics of heme enzymes and enable cleaner routes to the oxidation of organic compounds. The present work reports significant improvements in the eco-compatibility of the synthesis of 5,10,15,20-tetrakis-pentafluorophenylporphyrin (H₂TPFPP) and the corresponding iron complex [Fe(TPFPP)Cl], and the use of [Fe(TPFPP)Cl] as an oxidation catalyst in green conditions. The preparations of H₂TPFPP and [Fe(TPFPP)Cl] typically use toxic solvents and can be made significantly greener and simpler using microwave heating and optimization of the reaction conditions. In the optimized procedure it was possible to eliminate nitrobenzene from the porphyrin synthesis and replace DMF by acetonitrile in the metalation reaction, concomitant with a significant reduction of reaction time and simplification of the purification procedure. The Fe(III)porphyrin is then tested as catalyst in the selective oxidation of aromatics at room temperature using a green oxidant (hydrogen peroxide) and green solvent (ethanol). Efficient epoxidation of indene and selective oxidation of 3,5-dimethylphenol and naphthalene to the corresponding quinones is observed.

Study of reactions induced by the halo nucleus 11Li with the active target MAYA

International Nuclear Information System (INIS)

Roger, Th.

2009-09-01

Active targets are perfect tools for the study of nuclear reactions induced by very low intensity radioactive ion beams. They also enable the simultaneous study of direct and compound nuclear reactions. The active target MAYA, built at GANIL, has been used to study the reactions induced by a 4.3*A MeV 11 Li beam at the ISAC2 accelerator TRIUMF (Canada). The angular distributions for the elastic scattering and the one and two neutron transfer reaction have been reconstructed. The elastic scattering angular distribution indicates a strong enhancement of the flux absorption with respect to the neighbouring nuclei. From a coupled channel analysis of the two neutron transfer reaction for different three body models, the information on the structure of the halo of the Borromean nucleus 11 Li have been extracted. Meanwhile, the energy dependence of the elastic scattering reaction has been studied, using the active target MAYA as a thick target. The resulting spectrum shows a resonance around 3 MeV centre of mass. This resonance could be an isobaric analog state of 12 Li, observed in 12 Be. R matrix calculations have been performed in order to extract the parameters (spin and parity) of this state. (author)

Validation of the Expanded Versions of the Adult ADHD Self-Report Scale v1.1 Symptom Checklist and the Adult ADHD Investigator Symptom Rating Scale.

Science.gov (United States)

Silverstein, Michael J; Faraone, Stephen V; Alperin, Samuel; Leon, Terry L; Biederman, Joseph; Spencer, Thomas J; Adler, Lenard A

2018-02-01

The aim of this study is to validate the Adult ADHD Self-Report Scale (ASRS) and Adult ADHD Investigator Symptom Rating Scale (AISRS) expanded versions, including executive function deficits (EFDs) and emotional dyscontrol (EC) items, and to present ASRS and AISRS pilot normative data. Two patient samples (referred and primary care physician [PCP] controls) were pooled together for these analyses. Final analysis included 297 respondents, 171 with adult ADHD. Cronbach's alphas were high for all sections of the scales. Examining histograms of ASRS 31-item and AISRS 18-item total scores for ADHD controls, 95% cutoff scores were 70 and 23, respectively; histograms for pilot normative sample suggest cutoffs of 82 and 26, respectively. (a) ASRS- and AISRS-expanded versions have high validity in assessment of core 18 adult ADHD Diagnostic and Statistical Manual of Mental Disorders ( DSM) symptoms and EFD and EC symptoms. (b) ASRS (31-item) scores 70 to 82 and AISRS (18-item) scores from 23 to 26 suggest a high likelihood of adult ADHD.

The economics of aquifer storage recovery technology

Energy Technology Data Exchange (ETDEWEB)

David, R.; Pyne, G.

2014-10-01

Aquifer storage recovery (ASR) technology is increasingly being utilized around the world for storing water underground through one or more wells during wet months and other times when water is available for storage. The water is then recovered from the same wells when needed to meet a growing variety of water supply objectives. The economics of ASR constitute the principal reason for its increasing utilization. ASR unit capital costs are typically less than half those of other water supply and water storage alternatives. Unit operating costs are usually only slightly greater than for conventional production well-fields. Marginal costs for ASR storage and recovery provide a powerful tool for making more efficient use of existing infrastructure, providing water supply sustainability and reliability at relatively low cost. The opportunity exists for a careful analysis of the net present value of ASR well-fields, addressing not only the associated capital and operating costs but also the value of the benefits achieved for each of the water supply objectives at each site. (Author)

The economics of aquifer storage recovery technology

International Nuclear Information System (INIS)

David, R.; Pyne, G.

2014-01-01

Aquifer storage recovery (ASR) technology is increasingly being utilized around the world for storing water underground through one or more wells during wet months and other times when water is available for storage. The water is then recovered from the same wells when needed to meet a growing variety of water supply objectives. The economics of ASR constitute the principal reason for its increasing utilization. ASR unit capital costs are typically less than half those of other water supply and water storage alternatives. Unit operating costs are usually only slightly greater than for conventional production well-fields. Marginal costs for ASR storage and recovery provide a powerful tool for making more efficient use of existing infrastructure, providing water supply sustainability and reliability at relatively low cost. The opportunity exists for a careful analysis of the net present value of ASR well-fields, addressing not only the associated capital and operating costs but also the value of the benefits achieved for each of the water supply objectives at each site. (Author)

Study of charged current reactions induced by muon antineutrinos

International Nuclear Information System (INIS)

Huss, D.

1979-07-01

We present in this work a study of antineutrino reactions on light targets. We have used the Gargamelle cloud chamber with a propane-freon mix. In the 2 first chapters we give a brief description of the experimental setting and we present the selection criteria of the events. In the third chapter we analyse the data for the reaction anti-ν + p → μ + + n that preserves strangeness. We have deduced the values of the axial (M A ) and vector (M V ) form factors: M A = (O.92 ± 0.08) GeV and M V = (0.86 ± 0.04) GeV. In the fourth chapter we study reactions in which strange particles appear (ΔS = 1) and we have determined their production cross-sections. The elastic reaction: anti-ν + p → μ + + Λ is studied in a more accurate manner thanks to a 3-constraint adjustment that enables the selection of events occurring on free protons. We have deduced from our data the longitudinal, orthogonal and transverse polarization of Λ, we have got respectively P l = -0.06 ± 0.44; P p = 0.29 ± 0.41; P t 1.05 ± 0.30. We have also deduced the values of the total cross-section as a function of the incident antineutrino energy E: σ (0.27 ± 0.02)*E*10 -38 cm -2 . E has been assessed from the energy deposited in the cloud chamber and we have adjusted the cross-section with a straight line as it is expected under the assumption of scale invariance. (A.C.)

Assessment of tautomer distribution using the condensed reaction graph approach

Science.gov (United States)

Gimadiev, T. R.; Madzhidov, T. I.; Nugmanov, R. I.; Baskin, I. I.; Antipin, I. S.; Varnek, A.

2018-03-01

We report the first direct QSPR modeling of equilibrium constants of tautomeric transformations (logK T ) in different solvents and at different temperatures, which do not require intermediate assessment of acidity (basicity) constants for all tautomeric forms. The key step of the modeling consisted in the merging of two tautomers in one sole molecular graph ("condensed reaction graph") which enables to compute molecular descriptors characterizing entire equilibrium. The support vector regression method was used to build the models. The training set consisted of 785 transformations belonging to 11 types of tautomeric reactions with equilibrium constants measured in different solvents and at different temperatures. The models obtained perform well both in cross-validation (Q2 = 0.81 RMSE = 0.7 logK T units) and on two external test sets. Benchmarking studies demonstrate that our models outperform results obtained with DFT B3LYP/6-311 ++ G(d,p) and ChemAxon Tautomerizer applicable only in water at room temperature.

One-step Conversion of Levulinic Acid to Succinic Acid Using I2/t-BuOK System: The Iodoform Reaction Revisited.

Science.gov (United States)

Kawasumi, Ryosuke; Narita, Shodai; Miyamoto, Kazunori; Tominaga, Ken-Ichi; Takita, Ryo; Uchiyama, Masanobu

2017-12-21

The iodoform reaction has long been used as a qualitative test for acetyl and/or ethanol units in organic molecules. However, its synthetic applications are quite limited. Here, we describe a tuned iodoform reaction for oxidative demethylation reaction with I 2 and t-BuOK in t-BuOH, in which in situ-generated t-BuOI serves as the chemoselective iodinating agent. This system enables one-step conversion of levulinic acid to succinic acid, a major four-carbon chemical feedstock. This oxidative demethylation is also applicable to other compounds containing an acetyl group/ethanol unit, affording the corresponding carboxylic acids in a selective manner.

The enabling approach for housing supply

Directory of Open Access Journals (Sweden)

Ghada Farouk Hassan

2011-12-01

The paper attempts to highlight prerequisites needed to improve the success of the enabling approach in achieving adequate housing provision. Then the paper revisits the Egyptian experiences in the application of the enabling approach from 2005 till 2010. Finally, the paper highlights the main drops and lessons must be considered as promising approach after the revolution.

The kinetics of free radical metathetical and addition reactions in silane solutions

International Nuclear Information System (INIS)

Aloni, R.

1976-12-01

In this work radiolytic technique was employed for the initiation of free radical chainreactions in silane solution. The kinetic analysis of the chain mechanism in various solutions enabled the determination of the Arrhenius parameters for metathesis, addition and unimolecular decomposition reactions which make up the chainpropagation sequence in the systems studied. The following radical reactions were investigated: chlorine atom abstraction from chloromethanes by SiCl 3 and Et 3 Si radicals, and chlorine atom abstraction from chloroethanes by Et 3 Si radicals; unimolecular decomposition reactions and hydrogen atom abstraction, *from the solvent, of chloroethyl radicals in triethylsilane solutions; addition and abstraction reactions of Et 3 Si radicals with chloroolefins. Arrhenius parameters were determined for abstraction of chlorine atom from CH 3 Cl, CH 2 Cl 2 , CHCl 3 and CCl 4 , by SiCl 3 radicals and from CCl 4 , CHCl 3 , CH 2 Cl 2 , CCl 3 CN, C 2 Cl 5 H, sym-C 2 Cl 4 H 2 , asym-C 2 Cl 4 H 2 , 1.1.1-C 2 Cl 3 H 3 , 1.1.1-C 2 Dl 3 F 3 and 1.1-C 2 Cl 2 H 4 by Et 3 Si radicals. (author)

Aviation Safety Reporting System: Process and Procedures

Science.gov (United States)

Connell, Linda J.

1997-01-01

The Aviation Safety Reporting System (ASRS) was established in 1976 under an agreement between the Federal Aviation Administration (FAA) and the National Aeronautics and Space Administration (NASA). This cooperative safety program invites pilots, air traffic controllers, flight attendants, maintenance personnel, and others to voluntarily report to NASA any aviation incident or safety hazard. The FAA provides most of the program funding. NASA administers the program, sets its policies in consultation with the FAA and aviation community, and receives the reports submitted to the program. The FAA offers those who use the ASRS program two important reporting guarantees: confidentiality and limited immunity. Reports sent to ASRS are held in strict confidence. More than 350,000 reports have been submitted since the program's beginning without a single reporter's identity being revealed. ASRS removes all personal names and other potentially identifying information before entering reports into its database. This system is a very successful, proof-of-concept for gathering safety data in order to provide timely information about safety issues. The ASRS information is crucial to aviation safety efforts both nationally and internationally. It can be utilized as the first step in safety by providing the direction and content to informed policies, procedures, and research, especially human factors. The ASRS process and procedures will be presented as one model of safety reporting feedback systems.

Nuclear reactions

International Nuclear Information System (INIS)

Lane, A.M.

1980-01-01

In reviewing work at Harwell over the past 25 years on nuclear reactions it is stated that a balance has to be struck in both experiment and theory between work on cross-sections of direct practical relevance to reactors and on those relevant to an overall understanding of reaction processes. The compound nucleus and direct process reactions are described. Having listed the contributions from AERE, Harwell to developments in nuclear reaction research in the period, work on the optical model, neutron capture theory, reactions at doorway states with fine structure, and sum-rules for spectroscopic factors are considered in more detail. (UK)

ReactionMap: an efficient atom-mapping algorithm for chemical reactions.

Science.gov (United States)

Fooshee, David; Andronico, Alessio; Baldi, Pierre

2013-11-25

Large databases of chemical reactions provide new data-mining opportunities and challenges. Key challenges result from the imperfect quality of the data and the fact that many of these reactions are not properly balanced or atom-mapped. Here, we describe ReactionMap, an efficient atom-mapping algorithm. Our approach uses a combination of maximum common chemical subgraph search and minimization of an assignment cost function derived empirically from training data. We use a set of over 259,000 balanced atom-mapped reactions from the SPRESI commercial database to train the system, and we validate it on random sets of 1000 and 17,996 reactions sampled from this pool. These large test sets represent a broad range of chemical reaction types, and ReactionMap correctly maps about 99% of the atoms and about 96% of the reactions, with a mean time per mapping of 2 s. Most correctly mapped reactions are mapped with high confidence. Mapping accuracy compares favorably with ChemAxon's AutoMapper, versions 5 and 6.1, and the DREAM Web tool. These approaches correctly map 60.7%, 86.5%, and 90.3% of the reactions, respectively, on the same data set. A ReactionMap server is available on the ChemDB Web portal at http://cdb.ics.uci.edu .

Combining molecular dynamics with mesoscopic Green’s function reaction dynamics simulations

Energy Technology Data Exchange (ETDEWEB)

Vijaykumar, Adithya, E-mail: vijaykumar@amolf.nl [FOM Institute AMOLF, Science Park 104, 1098 XG Amsterdam (Netherlands); van ’t Hoff Institute for Molecular Sciences, University of Amsterdam, P.O. Box 94157, 1090 GD Amsterdam (Netherlands); Bolhuis, Peter G. [van ’t Hoff Institute for Molecular Sciences, University of Amsterdam, P.O. Box 94157, 1090 GD Amsterdam (Netherlands); Rein ten Wolde, Pieter, E-mail: p.t.wolde@amolf.nl [FOM Institute AMOLF, Science Park 104, 1098 XG Amsterdam (Netherlands)

2015-12-07

In many reaction-diffusion processes, ranging from biochemical networks, catalysis, to complex self-assembly, the spatial distribution of the reactants and the stochastic character of their interactions are crucial for the macroscopic behavior. The recently developed mesoscopic Green’s Function Reaction Dynamics (GFRD) method enables efficient simulation at the particle level provided the microscopic dynamics can be integrated out. Yet, many processes exhibit non-trivial microscopic dynamics that can qualitatively change the macroscopic behavior, calling for an atomistic, microscopic description. We propose a novel approach that combines GFRD for simulating the system at the mesoscopic scale where particles are far apart, with a microscopic technique such as Langevin dynamics or Molecular Dynamics (MD), for simulating the system at the microscopic scale where reactants are in close proximity. This scheme defines the regions where the particles are close together and simulated with high microscopic resolution and those where they are far apart and simulated with lower mesoscopic resolution, adaptively on the fly. The new multi-scale scheme, called MD-GFRD, is generic and can be used to efficiently simulate reaction-diffusion systems at the particle level.

Combining molecular dynamics with mesoscopic Green’s function reaction dynamics simulations

International Nuclear Information System (INIS)

Vijaykumar, Adithya; Bolhuis, Peter G.; Rein ten Wolde, Pieter

2015-01-01

In many reaction-diffusion processes, ranging from biochemical networks, catalysis, to complex self-assembly, the spatial distribution of the reactants and the stochastic character of their interactions are crucial for the macroscopic behavior. The recently developed mesoscopic Green’s Function Reaction Dynamics (GFRD) method enables efficient simulation at the particle level provided the microscopic dynamics can be integrated out. Yet, many processes exhibit non-trivial microscopic dynamics that can qualitatively change the macroscopic behavior, calling for an atomistic, microscopic description. We propose a novel approach that combines GFRD for simulating the system at the mesoscopic scale where particles are far apart, with a microscopic technique such as Langevin dynamics or Molecular Dynamics (MD), for simulating the system at the microscopic scale where reactants are in close proximity. This scheme defines the regions where the particles are close together and simulated with high microscopic resolution and those where they are far apart and simulated with lower mesoscopic resolution, adaptively on the fly. The new multi-scale scheme, called MD-GFRD, is generic and can be used to efficiently simulate reaction-diffusion systems at the particle level

Screening for Adult Attention-Deficit/Hyperactivity Disorder in a Psychiatric Outpatient Population with Specific Focus on Sex Differences

Directory of Open Access Journals (Sweden)

Salvatore Corbisiero

2017-06-01

Full Text Available Background/aimsAttention-deficit/hyperactivity disorder (ADHD is often overlooked in adults; moreover, the problem seems to be even more critical in women. In the present, observational screening study, a clinical, particularly adult outpatient population was examined regarding frequency and severity of a likely ADHD, whereby sex differences were of particular interest.Methods224 participants, 146 men and 78 women, were included. Based on data recorded with the self-rating WHO screening instrument Adult ADHD Self-Report Scale (ASRS-v1.1, it was examined how many participants were conspicuous for adult ADHD by exceeding a predefined cutoff value (COV (COV ≥ 4 for ASRS-6, and ≥12 for ASRS-18. To examine frequency distributions, χ2 tests were conducted. For the inferential statistical comparison of means, t-tests for independent samples or Mann–Whitney U tests were calculated.Results34.4% of the sample was screened positive in the ASRS-v1.1 screener short version, ASRS-6, while 17.4% were conspicuous in the symptom checklist, ASRS-18. There were indeed more men screened positive, but the difference in the frequency between the sexes was not statistically significant, indicating a balanced sex ratio. Further, severity of ADHD core symptoms inattention and hyperactivity/impulsivity was examined by comparing ASRS-18 symptom subscale scores. In concordance with the hypothesis, men and women did not differ in severity of symptoms.ConclusionResults indicate that women might be affected by ADHD in a comparable manner as men; this emphasizes the importance for the awareness of ADHD in both sexes in clinical practice.

Spatially enabled land administration

DEFF Research Database (Denmark)

Enemark, Stig

2006-01-01

enabling of land administration systems managing tenure, valuation, planning, and development will allow the information generated by these activities to be much more useful. Also, the services available to private and public sectors and to community organisations should commensurably improve. Knowledge....... In other words: Good governance and sustainable development is not attainable without sound land administration or - more broadly – sound land management. The paper presents a land management vision that incorporates the benefits of ICT enabled land administration functions. The idea is that spatial...... the communication between administrative systems and also establish more reliable data due to the use the original data instead of copies. In Denmark, such governmental guidelines for a service-oriented ITarchitecture in support of e-government are recently adopted. Finally, the paper presents the role of FIG...

"Cleaning" the Surface of Hydroxyapatite Nanorods by a Reaction-Dissolution Approach.

Science.gov (United States)

Cao, Binrui; Yang, Mingying; Wang, Lin; Xu, Hong; Zhu, Ye; Mao, Chuanbin

2015-10-21

Synthetic nanoparticles are always terminated with coating molecules, which are often cytotoxic and not desired in biomedicine. Here we propose a novel reaction-dissolution approach to remove the cytotoxic coating molecules. A two-component solution is added to the nanoparticle solution; one component reacts with the coating molecules to form a salt whereas another is a solvent for dissolving and thus removing the salt. As a proof of concept, this work uses a NaOH-ethanol solution to remove the cytotoxic linoleic acid molecules coated on the hydroxyapatite nanorods (HAP-NRs). The removal of the coating molecules not only significantly improves the biocompatibility of HAP-NRs but also enables their oriented attachment into tightly-bound superstructures, which mimic the organized HAP crystals in bone and enamel and can promote the osteogenic differentiation of mesenchymal stem cells. Our reaction-dissolution approach can be extended to the surface "cleaning" of other nanomaterials.

ENSO, nest predation risk, food abundance, and male status fail to explain annual variations in the apparent survival rate of a migratory songbird.

Directory of Open Access Journals (Sweden)

Alizée Vernouillet

Full Text Available Adult mortality can be a major driver of population decline in species whose productivity is relatively low. Yet, little is known about the factors influencing adult survival rates in migratory bird species, nor do we know much about the longer-term effects of habitat disturbance on the fitness of individuals. The Ovenbird (Seiurus aurocapilla is one of the vertebrate species most sensitive to forest management, yet it is still common and widespread. We monitored the fate of 330 colour-banded Ovenbird males in four pairs of 25-ha plots during 9 successive breeding seasons. One plot of each pair was treated through selection harvesting (30-40% basal area removed during the first winter. We tested the following hypotheses: (1 higher physiological costs in harvested plots as a result of lower food abundance will reduce apparent survival rate (ASR relative to controls; (2 lower ASR following years with low nest survival and higher probability of renesting; (3 fluctuations in ASR reflecting El Niño Southern Oscillation (ENSO; and (4 higher ASR in returning males than in recruits (unbanded immigrants owing to greater site familiarity in the former. We tested the relative importance of these hypotheses, or combinations thereof, by generating 23 models explaining variation in ASR. The year-dependent model received the most support, showing a 41% decrease in ASR from 2007 to 2014. The important year-to-year variation we observed in ASR (Σw(i = 0.99 was not explained by variation in nest predation risk nor by ENSO. There was also little evidence for an effect of selection harvesting on ASR of Ovenbird males, despite a slight reduction in lifespan relative to males from control plots (2.7 vs 2.9 years. An avenue worth exploring to explain this intriguing pattern would be to determine whether conditions at migratory stopover sites or in the wintering area of our focal population have gradually worsened over the past decade.

Challenges around automotive shredder residue production and disposal.

Science.gov (United States)

Khodier, Ala; Williams, Karl; Dallison, Neil

2018-03-01

The challenge for the automotive industry is how to ensure they adopt the circular economy when it comes to the disposal of end-of-life vehicles (ELV). According to the European Commission the UK achieved a total reuse and recovery rate of 88%. This is short of the revised ELV directive target of 95% materials recovery, which requires a minimum of 85% of materials to be recycled or reused. A significant component of the recycling process is the production of automotive shredder residue (ASR). This is currently landfilled across Europe. The additional 10% could be met by processing ASR through either waste-to-energy facilities or Post shredder technology (PST) to recover materials. The UK auto and recycling sectors claimed there would need to be a massive investment by their members in both new capacity and new technology for PST to recover additional recycle materials. It has been shown that 50% of the ASR contains valuable recoverable materials which could be used to meet the Directive target. It is expected in the next 5years that technological innovation in car design will change the composition from easily recoverable metal to difficult polymers. This change in composition will impact on the current drive to integrate the European Circular Economy Package. A positive factor is that main driver for using ASR is coming from the metals recycling industry itself. They are looking to develop the infrastructure for energy generation from ASR and subsequent material recovery. This is driven by the economics of the process rather than meeting the Directive targets. The study undertaken has identified potential pathways and barriers for commercial thermal treatment of ASR. The results of ASR characterisation were used to assess commercial plants from around the world. Whilst there were many claiming that processing of ASR was possible none have so far shown both the technological capability and economic justification. Copyright © 2017 Elsevier Ltd. All rights reserved.

Modeling the reaction kinetics of a hydrogen generator onboard a fuel cell -- Electric hybrid motorcycle

Science.gov (United States)

Ganesh, Karthik

Owing to the perceived decline of the fossil fuel reserves in the world and environmental issues like pollution, conventional fuels may be replaced by cleaner alternative fuels. The potential of hydrogen as a fuel in vehicular applications is being explored. Hydrogen as an energy carrier potentially finds applications in internal combustion engines and fuel cells because it is considered a clean fuel and has high specific energy. However, at 6 to 8 per kilogram, not only is hydrogen produced from conventional methods like steam reforming expensive, but also there are storage and handling issues, safety concerns and lack of hydrogen refilling stations across the country. The purpose of this research is to suggest a cheap and viable system that generates hydrogen on demand through a chemical reaction between an aluminum-water slurry and an aqueous sodium hydroxide solution to power a 2 kW fuel cell on a fuel cell hybrid motorcycle. This reaction is essentially an aluminum-water reaction where sodium hydroxide acts as a reaction promoter or catalyst. The Horizon 2000 fuel cell used for this purpose has a maximum hydrogen intake rate of 28 lpm. The study focuses on studying the exothermic reaction between the reactants and proposes a rate law that best describes the rate of generation of hydrogen in connection to the surface area of aluminum available for the certain reaction and the concentration of the sodium hydroxide solution. Further, the proposed rate law is used in the simulation model of the chemical reactor onboard the hybrid motorcycle to determine the hydrogen flow rate to the fuel cell with time. Based on the simulated rate of production of hydrogen from the chemical system, its feasibility of use on different drive cycles is analyzed. The rate of production of hydrogen with a higher concentration of sodium hydroxide and smaller aluminum powder size was found to enable the installation of the chemical reactor on urban cycles with frequent stops and starts

The role of grain boundaries and transient porosity increase as fluid pathways for reaction front propagation

Science.gov (United States)

Jonas, Laura; John, Timm; Geisler, Thorsten; Putnis, Andrew

2013-04-01

The pseudomorphic replacement of Carrara marble by calcium phosphates was studied as a model system to examine the influence of different fluid pathways for reaction front propagation induced by fluid-rock interaction. In this model system, the grain boundaries present in the rock and the transient porosity structures developing throughout the replacement reaction enable the reaction front to progress further into the rock as well as to the center of each single grain until complete transformation. Hydrothermal treatment of the marble using phosphate bearing solutions at temperature levels of 150° C and 200° C for different durations lead to the formation of two product phases which were identified as hydroxyapatite [Ca5(PO4)3OH] as well as β-tricalcium phosphate [β-Ca3(PO4)2] (β-TCP). The formation of β-TCP was probably favored by the presence of ~0.6wt.% of Mg in the parent phase. Completely transformed single grains show a distinctive zoning, both in composition and texture. Whereas areas next to the grain boundary consist of nearly pure hydroxyapatite and show a coarse porosity, areas close to the center of the single grains show a high amount of β-TCP and a very fine porous microstructure. If F was added as an additional solution component, the formation of β-TCP was avoided and up to 3wt.% of F were incorporated into the product apatite. The use of the isotope 18O as a chronometer for the replacement reaction makes it possible to reconstruct the chronological development of the calcium phosphate reaction front. Raman analysis revealed that the incorporation of 18O in the PO4 tetrahedron of hydroxyapatite results in the development of distinct profiles in the calcium phosphate reaction front perpendicular to the grain boundaries of the marble. Through the use of the 18O chronometer, it is possible to estimate and compare the time effectiveness of the different fluid pathways in this model system. The results show that the grain boundaries serve as a

Continuous protein concentration via free-flow moving reaction boundary electrophoresis.

Science.gov (United States)

Kong, Fanzhi; Zhang, Min; Chen, Jingjing; Fan, Liuyin; Xiao, Hua; Liu, Shaorong; Cao, Chengxi

2017-07-28

In this work, we developed the model and theory of free-flow moving reaction boundary electrophoresis (FFMRB) for continuous protein concentration for the first time. The theoretical results indicated that (i) the moving reaction boundary (MRB) can be quantitatively designed in free-flow electrophoresis (FFE) system; (ii) charge-to-mass ratio (Z/M) analysis could provide guidance for protein concentration optimization; and (iii) the maximum processing capacity could be predicted. To demonstrate the model and theory, three model proteins of hemoglobin (Hb), cytochrome C (Cyt C) and C-phycocyanin (C-PC) were chosen for the experiments. The experimental results verified that (i) stable MRBs with different velocities could be established in FFE apparatus with weak acid/weak base neutralization reaction system; (ii) proteins of Hb, Cyt C and C-PC were well concentrated with FFMRB; and (iii) a maximum processing capacity and recovery ratio of Cyt C enrichment were 126mL/h and 95.5% respectively, and a maximum enrichment factor was achieved 12.6 times for Hb. All of the experiments demonstrated the protein concentration model and theory. In contrast to other methods, the continuous processing ability enables FFMRB to efficiently enrich diluted protein or peptide in large volume solution. Copyright © 2017 Elsevier B.V. All rights reserved.

Lab-on-a-Drone: Toward Pinpoint Deployment of Smartphone-Enabled Nucleic Acid-Based Diagnostics for Mobile Health Care.

Science.gov (United States)

Priye, Aashish; Wong, Season; Bi, Yuanpeng; Carpio, Miguel; Chang, Jamison; Coen, Mauricio; Cope, Danielle; Harris, Jacob; Johnson, James; Keller, Alexandra; Lim, Richard; Lu, Stanley; Millard, Alex; Pangelinan, Adriano; Patel, Neal; Smith, Luke; Chan, Kamfai; Ugaz, Victor M

2016-05-03

We introduce a portable biochemical analysis platform for rapid field deployment of nucleic acid-based diagnostics using consumer-class quadcopter drones. This approach exploits the ability to isothermally perform the polymerase chain reaction (PCR) with a single heater, enabling the system to be operated using standard 5 V USB sources that power mobile devices (via battery, solar, or hand crank action). Time-resolved fluorescence detection and quantification is achieved using a smartphone camera and integrated image analysis app. Standard sample preparation is enabled by leveraging the drone's motors as centrifuges via 3D printed snap-on attachments. These advancements make it possible to build a complete DNA/RNA analysis system at a cost of ∼$50 ($US). Our instrument is rugged and versatile, enabling pinpoint deployment of sophisticated diagnostics to distributed field sites. This capability is demonstrated by successful in-flight replication of Staphylococcus aureus and λ-phage DNA targets in under 20 min. The ability to perform rapid in-flight assays with smartphone connectivity eliminates delays between sample collection and analysis so that test results can be delivered in minutes, suggesting new possibilities for drone-based systems to function in broader and more sophisticated roles beyond cargo transport and imaging.

Expanding the scope of cyclopropene reporters for the detection of metabolically engineered glycoproteins by Diels–Alder reactions

Directory of Open Access Journals (Sweden)

Anne-Katrin Späte

2014-09-01

Full Text Available Monitoring glycoconjugates has been tremendously facilitated by the development of metabolic oligosaccharide engineering. Recently, the inverse-electron-demand Diels–Alder reaction between methylcyclopropene tags and tetrazines has become a popular ligation reaction due to the small size and high reactivity of cyclopropene tags. Attaching the cyclopropene tag to mannosamine via a carbamate linkage has made the reaction even more efficient. Here, we expand the application of cyclopropene tags to N-acylgalactosamine and N-acylglucosamine derivatives enabling the visualization of mucin-type O-glycoproteins and O-GlcNAcylated proteins through Diels–Alder chemistry. Whereas the previously reported cyclopropene-labeled N-acylmannosamine derivative leads to significantly higher fluorescence staining of cell-surface glycoconjugates, the glucosamine derivative gave higher labeling efficiency with protein preparations containing also intracellular proteins.

Constrained reaction volume approach for studying chemical kinetics behind reflected shock waves

KAUST Repository

Hanson, Ronald K.

2013-09-01

We report a constrained-reaction-volume strategy for conducting kinetics experiments behind reflected shock waves, achieved in the present work by staged filling in a shock tube. Using hydrogen-oxygen ignition experiments as an example, we demonstrate that this strategy eliminates the possibility of non-localized (remote) ignition in shock tubes. Furthermore, we show that this same strategy can also effectively eliminate or minimize pressure changes due to combustion heat release, thereby enabling quantitative modeling of the kinetics throughout the combustion event using a simple assumption of specified pressure and enthalpy. We measure temperature and OH radical time-histories during ethylene-oxygen combustion behind reflected shock waves in a constrained reaction volume and verify that the results can be accurately modeled using a detailed mechanism and a specified pressure and enthalpy constraint. © 2013 The Combustion Institute.

Microscale High-Throughput Experimentation as an Enabling Technology in Drug Discovery: Application in the Discovery of (Piperidinyl)pyridinyl-1H-benzimidazole Diacylglycerol Acyltransferase 1 Inhibitors.

Science.gov (United States)

Cernak, Tim; Gesmundo, Nathan J; Dykstra, Kevin; Yu, Yang; Wu, Zhicai; Shi, Zhi-Cai; Vachal, Petr; Sperbeck, Donald; He, Shuwen; Murphy, Beth Ann; Sonatore, Lisa; Williams, Steven; Madeira, Maria; Verras, Andreas; Reiter, Maud; Lee, Claire Heechoon; Cuff, James; Sherer, Edward C; Kuethe, Jeffrey; Goble, Stephen; Perrotto, Nicholas; Pinto, Shirly; Shen, Dong-Ming; Nargund, Ravi; Balkovec, James; DeVita, Robert J; Dreher, Spencer D

2017-05-11

Miniaturization and parallel processing play an important role in the evolution of many technologies. We demonstrate the application of miniaturized high-throughput experimentation methods to resolve synthetic chemistry challenges on the frontlines of a lead optimization effort to develop diacylglycerol acyltransferase (DGAT1) inhibitors. Reactions were performed on ∼1 mg scale using glass microvials providing a miniaturized high-throughput experimentation capability that was used to study a challenging S N Ar reaction. The availability of robust synthetic chemistry conditions discovered in these miniaturized investigations enabled the development of structure-activity relationships that ultimately led to the discovery of soluble, selective, and potent inhibitors of DGAT1.

Enabling the high capacity of lithium-rich anti-fluorite lithium iron oxide by simultaneous anionic and cationic redox

Science.gov (United States)

Zhan, Chun; Yao, Zhenpeng; Lu, Jun; Ma, Lu; Maroni, Victor A.; Li, Liang; Lee, Eungje; Alp, Esen E.; Wu, Tianpin; Wen, Jianguo; Ren, Yang; Johnson, Christopher; Thackeray, Michael M.; Chan, Maria K. Y.; Wolverton, Chris; Amine, Khalil

2017-12-01

Anionic redox reactions in cathodes of lithium-ion batteries are allowing opportunities to double or even triple the energy density. However, it is still challenging to develop a cathode, especially with Earth-abundant elements, that enables anionic redox activity for real-world applications, primarily due to limited strategies to intercept the oxygenates from further irreversible oxidation to O2 gas. Here we report simultaneous iron and oxygen redox activity in a Li-rich anti-fluorite Li5FeO4 electrode. During the removal of the first two Li ions, the oxidation potential of O2- is lowered to approximately 3.5 V versus Li+/Li0, at which potential the cationic oxidation occurs concurrently. These anionic and cationic redox reactions show high reversibility without any obvious O2 gas release. Moreover, this study provides an insightful guide to designing high-capacity cathodes with reversible oxygen redox activity by simply introducing oxygen ions that are exclusively coordinated by Li+.

Morphing Surfaces Enable Acoustophoretic Contactless Transport of Ultrahigh-Density Matter in Air

Science.gov (United States)

Foresti, Daniele; Sambatakakis, Giorgio; Bottan, Simone; Poulikakos, Dimos

2013-01-01

The controlled contactless transport of heavy drops and particles in air is of fundamental interest and has significant application potential. Acoustic forces do not rely on special material properties, but their utility in transporting heavy matter in air has been restricted by low power and poor controllability. Here we present a new concept of acoustophoresis, based on the morphing of a deformable reflector, which exploits the low reaction forces and low relaxation time of a liquid with enhanced surface tension through the use of thin overlaid membrane. An acoustically induced, mobile deformation (dimple) on the reflector surface enhances the acoustic field emitted by a line of discretized emitters and enables the countinuos motion of heavy levitated samples. With such interplay of emitters and reflecting soft-structure, a 5 mm steel sphere (0.5 grams) was contactlessly transported in air solely by acoustophoresis. PMID:24212104

Study on density distribution and diffusion of deuterons in mono- and polycrystalline Ni absorbers using the nuclear reaction method

International Nuclear Information System (INIS)

Heintze, V.

1976-01-01

Irradiation experiments with cooled poly- and monocrystalline Ni absorbers are reported on. A very complex irradiation apparatus was set up, and a nuclear physics method was tested which enables an alignment of low-index crystal directions of monocrystalline absorbers in the target chamber with an exactness of at least 0.1 0 with regard to the ion beam. The nuclear reaction technique for the D(d,p)T reaction was developed far enough to enable a non-destructive determination of deuteron density distributions by analyzing proton spectra of this reaction. At low incorporation doses, there was no dose dependence of density distributions in monocrystalline Ni samples. Profile changes interpreted by a 'blurring' of the incident angle α due to an arching of the surface were only observed at doses Qsub(w) approximately > 3 x 10 18 deuterons/cm 2 . Furthermore, in polycrystalline Ni absorbers, there was a dependence of deuteron distributions on the angle between the beam and the absorber surface, which may be interpreted as a picture of a certain deposition, probability of single ions. In monocrystalline absorbers, range distributions for each of the low-index crystal directions were measured and compared with similar profiles of the polycrystalline absorber which had been measured at the same incident angle α. (orig.) [de

Theoretical investigation of molecular hydrogen reactions with active centres in B6H5- and AlB6H5- clusters

International Nuclear Information System (INIS)

Mebel', A.M.; Charkin, O.P.

1991-01-01

Nonempirical calculations of sections of potential surface (PS) along the shortest way of reaction of hydrogen interaction with different active centres in AlB 5 H 5 - cluster were conducted. Mechanisms of reactions of valent-saturated hydrides (BH, AlH) and clusters (B 6 H 5 - , AlB 5 H 5 - ) with molecular hydrogen are correlated. Qualitative model enabling to form an opinion about the presence or the absence of barrier on PS of the shortest way of reactions of breaking σ-bond of H-H type on the active centre of cluster, is suggested. The model is based on analysis of the character of canonical MO reagents and products

The use of coded PCR primers enables high-throughput sequencing of multiple homolog amplification products by 454 parallel sequencing

DEFF Research Database (Denmark)

Binladen, Jonas; Gilbert, M Thomas P; Bollback, Jonathan P

2007-01-01

BACKGROUND: The invention of the Genome Sequence 20 DNA Sequencing System (454 parallel sequencing platform) has enabled the rapid and high-volume production of sequence data. Until now, however, individual emulsion PCR (emPCR) reactions and subsequent sequencing runs have been unable to combine...... primers that is dependent on the 5' nucleotide of the tag. In particular, primers 5' labelled with a cytosine are heavily overrepresented among the final sequences, while those 5' labelled with a thymine are strongly underrepresented. A weaker bias also exists with regards to the distribution...

Reaction path analysis of sodium-water reaction phenomena in support of chemical reaction model development

International Nuclear Information System (INIS)

Kikuchi, Shin; Ohshima, Hiroyuki; Hashimoto, Kenro

2011-01-01

Computational study of the sodium-water reaction at the gas (water) - liquid (sodium) interface has been carried out using ab initio (first-principle) method. A possible reaction channel has been identified for the stepwise OH bond dissociations of a single water molecule. The energetics including the binding energy of a water molecule to the sodium surface, the activation energies of the bond cleavages, and the reaction energies, have been evaluated, and the rate constants of the first and second OH bond-breakings have been compared. The results are used as the basis for constructing the chemical reaction model used in a multi-dimensional sodium-water reaction code, SERAPHIM, being developed by JAEA toward the safety assessment of the steam generator (SG) in a sodium-cooled fast reactor (SFR). (author)

Copper-catalysed selective hydroamination reactions of alkynes

Science.gov (United States)

Shi, Shi-Liang; Buchwald, Stephen L.

2015-01-01

The development of selective reactions that utilize easily available and abundant precursors for the efficient synthesis of amines is a long-standing goal of chemical research. Despite the centrality of amines in a number of important research areas, including medicinal chemistry, total synthesis and materials science, a general, selective and step-efficient synthesis of amines is still needed. Here, we describe a set of mild catalytic conditions utilizing a single copper-based catalyst that enables the direct preparation of three distinct and important amine classes (enamines, α-chiral branched alkylamines and linear alkylamines) from readily available alkyne starting materials with high levels of chemo-, regio- and stereoselectivity. This methodology was applied to the asymmetric synthesis of rivastigmine and the formal synthesis of several other pharmaceutical agents, including duloxetine, atomoxetine, fluoxetine and tolterodine.

Copper-catalyzed selective hydroamination reactions of alkynes

Science.gov (United States)

Shi, Shi-Liang; Buchwald, Stephen L.

2014-01-01

The development of selective reactions that utilize easily available and abundant precursors for the efficient synthesis of amines is a longstanding goal of chemical research. Despite the centrality of amines in a number of important research areas, including medicinal chemistry, total synthesis and materials science, a general, selective, and step-efficient synthesis of amines is still needed. In this work we describe a set of mild catalytic conditions utilizing a single copper-based catalyst that enables the direct preparation of three distinct and important amine classes (enamines, α-chiral branched alkylamines, and linear alkylamines) from readily available alkyne starting materials with high levels of chemo-, regio-, and stereoselectivity. This methodology was applied to the asymmetric synthesis of rivastigmine and the formal synthesis of several other pharmaceutical agents, including duloxetine, atomoxetine, fluoxetine, and tolterodine. PMID:25515888

Enabling distributed collaborative science

DEFF Research Database (Denmark)

Hudson, T.; Sonnenwald, Diane H.; Maglaughlin, K.

2000-01-01

To enable collaboration over distance, a collaborative environment that uses a specialized scientific instrument called a nanoManipulator is evaluated. The nanoManipulator incorporates visualization and force feedback technology to allow scientists to see, feel, and modify biological samples bein...

The Inverse Demand Oxa-Diels-Alder Reaction of Resorcinarenes: An Experimental and Theoretical Analysis of Regioselectivity and Diastereoselectivity.

Science.gov (United States)

Stefańska, Karolina; Jędrzejewska, Hanna; Wierzbicki, Michał; Szumna, Agnieszka; Iwanek, Waldemar

2016-07-15

The Diels-Alder reaction enables introduction of new functionalities onto the resorcinarene skeleton with simultaneous generation of new stereogenic centers and expansion of the internal cavity. We present highly regio- and diastereoselective inverse electron demand oxa-Diels-Alder reactions of resorcinarene ortho-quinone methide with benzofuran and indene, each generating 12 new stereogenic centers. The mechanism and reasons for regioselectivity and diastereoselectivity were analyzed using theoretical calculations (NBO charges, Fukui functions, transition state energies, and thermodynamic stability of the products). Enantiomers were separated, and their configurations were determined by comparison of experimental and theoretical electronic circular dichroism spectra.

Application of Molecular Topology for the Prediction of Reaction Yields and Anti-Inflammatory Activity of Heterocyclic Amidine Derivatives

Directory of Open Access Journals (Sweden)

Ramón García-Domenech

2011-02-01

Full Text Available Topological-mathematical models based on multiple linear regression analyses have been built to predict the reaction yields and the anti-inflammatory activity of a set of heterocylic amidine derivatives, synthesized under environmental friendly conditions, using microwave irradiation. Two models with three variables each were selected. The models were validated by cross-validation and randomization tests. The final outcome demonstrates a good agreement between the predicted and experimental results, confirming the robustness of the method. These models also enabled the screening of virtual libraries for new amidine derivatives predicted to show higher values of reaction yields and anti-inflammatory activity.

Inelastic neutron scattering reactions in fluid saturated rock as exploited in oil well logging

International Nuclear Information System (INIS)

Underwood, M.C.; Dyos, C.J.

1986-01-01

Oil saturated sandstone and limestone targets have been irradiated with 14 MeV neutrons. Gamma-ray spectra were accumulated and the γ-ray intensities arising from inelastic neutron scattering reactions upon carbon and oxygen measured. The results are compared with the predictions of a simple model. They enable some features of the response of (n,γ) tools used in oil well logging to be established and current uncertainties in understanding to be highlighted. (author)

Revealing the reaction mechanisms of Li–O2 batteries using environmental transmission electron microscopy

Energy Technology Data Exchange (ETDEWEB)

Luo, Langli; Liu, Bin; Song, Shidong; Xu, Wu; Zhang, Ji-Guang; Wang, Chongmin

2017-03-27

The capacity, Coulombic efficiency, rate, and cyclability of a Li-O2 battery critically depend on the electrode reaction mechanism and the structure/morphology of the reaction product as well as their spatial and temporal evolution1-8, which are all further complicated by the choice of different electrolyte. For the case of aprotic cell, the discharge product, Li2O2, is formed through solution and surface mechanisms9,10, but little is known on the formation mechanism of the perplexing morphology of the reaction product11-15. For the case of Li-O2 battery using solid electrolyte, neither electrode reaction mechanism nor the nature of the reaction production is known. Herein, we reveal the full cycle reaction pathway for Li-O2 batteries and its correlation with the nature of the reaction product. Using an aberration-corrected environmental TEM under oxygen environment, we captured, for the first time, the morphology and phase evolution on the carbon nanotube (CNT) cathode of a working solid-state Li-O2 nano-battery16 and directly correlated these features with electrochemical reaction. We found that the oxygen reduction reaction on CNTs initially produces LiO2, which subsequently evolves to Li2O2 and O2 through disproportionation reaction. Surprisingly it is just the releasing of O2 that inflates the particles to a hollow structure with a Li2O outer surface layer and Li2O2 inner-shell, demonstrating that, in general, accommodation of the released O2 coupled with the Li+ ion diffusion and electron transport paths across both spatial and temporal scales critically governs the morphology of the discharging/charging product in Li-O2 system. We anticipate that the direct observation of Li-O2 reaction mechanisms and their correlation with the morphology of the reaction product set foundation for quantitative understanding/modeling of the electrochemical processes in the Li-O2 system, enabling rational design of both solid-state and aprotic Li-O2 batteries.

Studies in the reaction dynamics of beam-gas chemiluminescent reactions

International Nuclear Information System (INIS)

Prisant, M.G.

1984-01-01

This thesis develops techniques for the analysis and interpretation of data obtained from beam-gas chemiluminescence experiments. These techniques are applied to experimental studies of atom transfer reactions of the type A + BC → AB + C. A procedure is developed for determining the product rotational alignment in the center-of-mass frame from polarization measurements of chemiluminescent atom-diatom exchange reactions under beam-gas conditions. Knowledge of a vector property of a reaction, such as product alignment, provides information on the disposition of angular momentum by a chemical reaction. Fluorescence polarization and hence product alignment are measured for two prototype reactions. The reaction of metastable calcium atoms with hydrogen-chloride gas yields highly aligned calcium-chloride product which exhibits little variation of alignment with vibrational state. The reaction of ground-state calcium with fluorine gas yields moderately aligned product which shows strong variation of alignment with vibration. A multi-surface direct-interaction model is developed to interpret product alignment and population data. The predictions of this model for the reaction of calcium with fluorine show reasonable agreement with experiment

Social-ecological enabling conditions for payments for ecosystem services

OpenAIRE

Heidi R. Huber-Stearns; Drew E. Bennett; Stephen Posner; Ryan C. Richards; Jenn Hoyle. Fair; Stella J. M. Cousins; Chelsie L. Romulo

2017-01-01

The concept of "enabling conditions" centers on conditions that facilitate approaches to addressing social and ecological challenges. Although multiple fields have independently addressed the concept of enabling conditions, the literature lacks a shared understanding or integration of concepts. We propose a more synthesized understanding of enabling conditions beyond disciplinary boundaries by focusing on the enabling conditions that influence the implementation of a range of environmental p...

Nanomaterial-Enabled Wearable Sensors for Healthcare.

Science.gov (United States)

Yao, Shanshan; Swetha, Puchakayala; Zhu, Yong

2018-01-01

Highly sensitive wearable sensors that can be conformably attached to human skin or integrated with textiles to monitor the physiological parameters of human body or the surrounding environment have garnered tremendous interest. Owing to the large surface area and outstanding material properties, nanomaterials are promising building blocks for wearable sensors. Recent advances in the nanomaterial-enabled wearable sensors including temperature, electrophysiological, strain, tactile, electrochemical, and environmental sensors are presented in this review. Integration of multiple sensors for multimodal sensing and integration with other components into wearable systems are summarized. Representative applications of nanomaterial-enabled wearable sensors for healthcare, including continuous health monitoring, daily and sports activity tracking, and multifunctional electronic skin are highlighted. Finally, challenges, opportunities, and future perspectives in the field of nanomaterial-enabled wearable sensors are discussed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

On the security of SSL/TLS-enabled applications

Directory of Open Access Journals (Sweden)

Manik Lal Das

2014-01-01

Full Text Available SSL/TLS (Secure Socket Layer/Transport Layer Security-enabled web applications aim to provide public key certificate based authentication, secure session key establishment, and symmetric key based traffic confidentiality. A large number of electronic commerce applications, such as stock trading, banking, shopping, and gaming rely on the security strength of the SSL/TLS protocol. In recent times, a potential threat, known as main-in-the-middle (MITM attack, has been exploited by attackers of SSL/TLS-enabled web applications, particularly when naive users want to connect to an SSL/TLS-enabled web server. In this paper, we discuss about the MITM threat to SSL/TLS-enabled web applications. We review the existing space of solutions to counter the MITM attack on SSL/TLS-enabled applications, and then, we provide an effective solution which can resist the MITM attack on SSL/TLS-enabled applications. The proposed solution uses a soft-token based approach for user authentication on top of the SSL/TLS’s security features. We show that the proposed solution is secure, efficient and user friendly in comparison to other similar approaches.

New model of chlorine-wall reaction for simulating chlorine concentration in drinking water distribution systems.

Science.gov (United States)

Fisher, Ian; Kastl, George; Sathasivan, Arumugam

2017-11-15

Accurate modelling of chlorine concentrations throughout a drinking water system needs sound mathematical descriptions of decay mechanisms in bulk water and at pipe walls. Wall-reaction rates along pipelines in three different systems were calculated from differences between field chlorine profiles and accurately modelled bulk decay. Lined pipes with sufficiently large diameters (>500 mm) and higher chlorine concentrations (>0.5 mg/L) had negligible wall-decay rates, compared with bulk-decay rates. Further downstream, wall-reaction rate consistently increased (peaking around 0.15 mg/dm 2 /h) as chlorine concentration decreased, until mass-transport to the wall was controlling wall reaction. These results contradict wall-reaction models, including those incorporated in the EPANET software, which assume wall decay is of either zero-order (constant decay rate) or first-order (wall-decay rate reduces with chlorine concentration). Instead, results are consistent with facilitation of the wall reaction by biofilm activity, rather than surficial chemical reactions. A new model of wall reaction combines the effect of biofilm activity moderated by chlorine concentration and mass-transport limitation. This wall reaction model, with an accurate bulk chlorine decay model, is essential for sufficiently accurate prediction of chlorine residuals towards the end of distribution systems and therefore control of microbial contamination. Implementing this model in EPANET-MSX (or similar) software enables the accurate chlorine modelling required for improving disinfection strategies in drinking water networks. New insight into the effect of chlorine on biofilm can also assist in controlling biofilm to maintain chlorine residuals. Copyright © 2017 Elsevier Ltd. All rights reserved.

Environmental arsenic exposure from a coal-burning power plant as a potential risk factor for nonmelanoma skin carcinoma: Results from a case-control study in the district of Prievidza, Slovakia

Energy Technology Data Exchange (ETDEWEB)

Pesch, B.; Ranft, U.; Jakubis, P.; Nieuwenhuijsen, M.J.; Hergemoller, A.; Unfried, K.; Jakubis, M.; Miskovic, P.; Keegan, T. [University of Dusseldorf, Dusseldorf (Germany)

2002-05-01

To investigate the risk of arsenic exposure from a coal-burning power plant in Slovakia on nonmelanoma skin cancer (NMSC) development, a 1996-1999 population-based case-control study was conducted with 264 cases and 286 controls. Exposure assessment was based on residential history and annual emissions (Asres1, Asres2) and on nutritional habits and arsenic content in food (Asnut1, Asnut2). Asres1 was assessed as a function of the distance of places of residence to the plant. Asres2 additionally considered workplace locations. Asnut1 was used to calculate arsenic uptake by weighting food frequencies with arsenic concentrations and annual consumption of food items. Asnut2 additionally considered consumption of local products. Age- and gender-adjusted risk estimates for NMSC in the highest exposure category (90th vs. 30th percentile) were 1.90 (95% confidence interval (CI): 1.39, 2.60) for Asres1, 1.90 (95% CI: 1.38, 2.62) for Asres2, 1.19 (95% CI: 0.64, 2.12) for Asnut1, and 1.83 (95% CI: 0.98, 3.43) for Asnut2. No interaction was found between arsenic exposure and dietary and residential data. Other plant emissions could have confounded the distance-based exposure variables. Consumption of contaminated vegetables and fruits could be confounded by the protective effects of such a diet. Nevertheless, the authors found an excess NMSC risk for environmental arsenic exposure.

Laboratory Measurements for H3+ Deuteration Reactions

Science.gov (United States)

Bowen, Kyle; Hillenbrand, Pierre-Michel; Urbain, Xavier; Savin, Daniel Wolf

2018-06-01

Deuterated molecules are important chemical tracers of protostellar cores. At the ~106 cm-3 particle densities and ~20 K temperatures typical for protostellar cores, most molecules freeze onto dust grains. A notable exception is H3+ and its isotopologues. These become important carriers of positive charge in the gas, can couple to any ambient magnetic field, and can thereby alter the cloud dynamics. Knowing the total abundance of H3+ and its isotopologues is important for studying the evolution of protostellar cores. However, H3+ and D3+ have no dipole moment. They lack a pure rotational spectrum and are not observable at protostellar core temperatures. Fortunately H2D+ and D2H+ have dipole moments and a pure rotational spectrum that can be excited in protostellar cores. Observations of these two molecules, combined with astrochemical models, provide information about the total abundance of H3+ and all its isotopologues. The inferred abundances, though, rely on accurate astrochemical data for the deuteration of H3+ and its isotopologues.Here we present laboratory measurements of the rate coefficients for three important deuterating reactions, namely D + H3+/H2D+/D2H+ → H + H2D+/ D2H+/D3+. Astrochemical models currently rely on rate coefficients from classical (Langevin) or semi-classical methods for these reactions, as fully quantum-mechanical calculations are beyond current computational capabilities. Laboratory studies are the most tractable means of providing the needed data. For our studies we used our novel dual-source, merged fast-beams apparatus, which enables us to study reactions of neutral atoms and molecular ions. Co-propagating beams allow us to measure experimental rate coefficients as a function of collision energy. We extract cross section data from these results, which we then convolve with a Maxwell-Boltzmann distribution to generate thermal rate coefficients. Here we present our results for these three reactions and discuss some implications.

Screening for attention-deficit/hyperactivity disorder in borderline personality disorder.

Science.gov (United States)

Weibel, Sébastien; Nicastro, Rosetta; Prada, Paco; Cole, Pierre; Rüfenacht, Eva; Pham, Eléonore; Dayer, Alexandre; Perroud, Nader

2018-01-15

A valid screening instrument is needed to detect attention-deficit/hyperactivity disorder (ADHD) in treatment-seeking borderline personality disorder (BPD) patients. We aimed to test the performance of the widely-used Adult ADHD Self-Report Scale v1.1 screener (ASRS-v1.1). 317 BPD subjects were systematically assessed for comorbid ADHD and completed the ASRS-v1.1. 79 BPD patients also completed the Wender Utah Rating Scale (WURS-25). The prevalence of adult ADHD was of 32.4%. The overall positive predictive value of the ASRS-v1.1 was of 38.5%, the negative predictive value 77.0%, the sensitivity 72.8%, and the specificity 43.9%. Combining WURS-25 and ASRS-v1.1 improved sensitivity to 81.8% and specificity to 59.6%. Cross-sectional study on treatment-seeking patients. We found a high prevalence of ADHD using structured interviews. The ASRS-v1.1 was not a sensitive screener for identifying possible ADHD cases in a BPD population, with a high number of false positives. When combined with the WURS-25, it offered improved screening. Copyright © 2017 Elsevier B.V. All rights reserved.

Assessing aquifer storage and recovery feasibility in the Gulf Coastal Plains of Texas

Directory of Open Access Journals (Sweden)

W. Benjamin Smith

2017-12-01

Full Text Available Study region: The Gulf Coast and Carrizo-Wilcox aquifer systems in the Gulf Coastal Plains of Texas. Study focus: Aquifer storage and recovery is a water storage alternative that is underutilized in Texas, a state with both long periods of drought and high intensity storms. Future water storage plans in Texas almost exclusively rely on surface reservoirs, subject to high evaporative losses. This study seeks to identify sites where aquifer storage and recovery (ASR may be successful, especially in recovery of injected waters, by analyzing publicly-available hydrogeologic data. Transmissivity, hydraulic gradient, well density, depth to aquifer, and depth to groundwater are used in a GIS-based index to determine feasibility of implementing an ASR system in the Gulf Coast and Carrizo-Wilcox aquifer systems. New hydrological insights for the region: Large regions of the central and northern Gulf Coast and the central and southern Carrizo-Wilcox aquifer systems are expected to be hydrologically feasible regions for ASR. Corpus Christi, Victoria, San Antonio, Bryan, and College Station are identified as possible cities where ASR would be a useful water storage strategy. Keywords: Aquifer storage and recovery (ASR, GIS, Gulf coast, Carrizo-Wilcox, Managed aquifer recharge (MAR

Integrated Photonics Enabled by Slow Light

DEFF Research Database (Denmark)

Mørk, Jesper; Chen, Yuntian; Ek, Sara

2012-01-01

In this talk we will discuss the physics of slow light in semiconductor materials and in particular the possibilities offered for integrated photonics. This includes ultra-compact slow light enabled optical amplifiers, lasers and pulse sources.......In this talk we will discuss the physics of slow light in semiconductor materials and in particular the possibilities offered for integrated photonics. This includes ultra-compact slow light enabled optical amplifiers, lasers and pulse sources....

Chemical reaction vector embeddings: towards predicting drug metabolism in the human gut microbiome.

Science.gov (United States)

Mallory, Emily K; Acharya, Ambika; Rensi, Stefano E; Turnbaugh, Peter J; Bright, Roselie A; Altman, Russ B

2018-01-01

Bacteria in the human gut have the ability to activate, inactivate, and reactivate drugs with both intended and unintended effects. For example, the drug digoxin is reduced to the inactive metabolite dihydrodigoxin by the gut Actinobacterium E. lenta, and patients colonized with high levels of drug metabolizing strains may have limited response to the drug. Understanding the complete space of drugs that are metabolized by the human gut microbiome is critical for predicting bacteria-drug relationships and their effects on individual patient response. Discovery and validation of drug metabolism via bacterial enzymes has yielded >50 drugs after nearly a century of experimental research. However, there are limited computational tools for screening drugs for potential metabolism by the gut microbiome. We developed a pipeline for comparing and characterizing chemical transformations using continuous vector representations of molecular structure learned using unsupervised representation learning. We applied this pipeline to chemical reaction data from MetaCyc to characterize the utility of vector representations for chemical reaction transformations. After clustering molecular and reaction vectors, we performed enrichment analyses and queries to characterize the space. We detected enriched enzyme names, Gene Ontology terms, and Enzyme Consortium (EC) classes within reaction clusters. In addition, we queried reactions against drug-metabolite transformations known to be metabolized by the human gut microbiome. The top results for these known drug transformations contained similar substructure modifications to the original drug pair. This work enables high throughput screening of drugs and their resulting metabolites against chemical reactions common to gut bacteria.

Computer code PRECIP-II for the calculation of Zr-steam reaction

International Nuclear Information System (INIS)

Suzuki, Motoye; Kawasaki, Satoru; Furuta, Teruo

1978-06-01

The computer code PRECIP-II developed, a modification of S.Malang's SIMTRAN-I, is to calculate Zr-Steam reaction under LOCA conditions. Improved are the following: 1. treatment of boundary conditions at alpha/beta phase interface during temperature decrease. 2. method of time-mesh control. 3. number of input-controllable parameters, and output format. These improvements made possible physically reasonable calculations for an increased number of temperature history patterns, including the cladding temperature excursion assumed during LOCA. Calculations were made along various transient temperature histories, with the parameters so modified as to enable fitting of numerical results of weight gain, oxide thickness and alpha phase thickness in isothermal reactions to the experimental data. Then the computed results were compared with the corresponding experimental values, which revealed that most of the differences lie within +-10%. Slow cooling effect on ductility change of Zircaloy-4 was investigated with some of the oxidized specimens by a ring compression test; the effect is only slight. (auth.)

Advancing the sensitivity of selected reaction monitoring-based targeted quantitative proteomics

Energy Technology Data Exchange (ETDEWEB)

Shi, Tujin; Su, Dian; Liu, Tao; Tang, Keqi; Camp, David G.; Qian, Weijun; Smith, Richard D.

2012-04-01

Selected reaction monitoring (SRM)—also known as multiple reaction monitoring (MRM)—has emerged as a promising high-throughput targeted protein quantification technology for candidate biomarker verification and systems biology applications. A major bottleneck for current SRM technology, however, is insufficient sensitivity for e.g., detecting low-abundance biomarkers likely present at the pg/mL to low ng/mL range in human blood plasma or serum, or extremely low-abundance signaling proteins in the cells or tissues. Herein we review recent advances in methods and technologies, including front-end immunoaffinity depletion, fractionation, selective enrichment of target proteins/peptides or their posttranslational modifications (PTMs), as well as advances in MS instrumentation, which have significantly enhanced the overall sensitivity of SRM assays and enabled the detection of low-abundance proteins at low to sub- ng/mL level in human blood plasma or serum. General perspectives on the potential of achieving sufficient sensitivity for detection of pg/mL level proteins in plasma are also discussed.

Fluorescent Carbon Dots Derived from Maillard Reaction Products: Their Properties, Biodistribution, Cytotoxicity, and Antioxidant Activity.

Science.gov (United States)

Li, Dongmei; Na, Xiaokang; Wang, Haitao; Xie, Yisha; Cong, Shuang; Song, Yukun; Xu, Xianbing; Zhu, Bei-Wei; Tan, Mingqian

2018-02-14

Food-borne nanoparticles have received great attention because of their unique physicochemical properties and potential health risk. In this study, carbon dots (CDs) formed during one of the most important chemical reactions in the food processing field, the Maillard reaction from the model system including glucose and lysine, were investigated. The CDs purified from Maillard reaction products emitted a strong blue fluorescence under ultraviolet light with a fluorescent quantum yield of 16.30%. In addition, they were roughly spherical, with sizes of around 4.3 nm, and mainly composed of carbon, oxygen, hydrogen, and nitrogen. Their surface groups such as hydroxyl, amino, and carboxyl groups were found to possibly enable CDs to scavenge DPPH and hydroxyl radicals. Furthermore, the cytotoxicity assessment of CDs showed that they could readily enter HepG2 cells while causing negligible cell death at low concentration. However, high CDs concentrations were highly cytotoxic and led to cell death via interference of the glycolytic pathway.

Assessment of Adequacy of Dialysis in Patients under Continuous Hemodialysis in Kamkar and Hazrat Vali Asr Hospitals, State of Qom, 2006

Directory of Open Access Journals (Sweden)

S.M Mousavi Movahed

2012-05-01

Full Text Available

Background and objectives

Hemodialysis is one of the therapeutic modalities of the end stage renal disease (ESRD. As inadequate dialysis is considered a risk factor leading to higher morbidity and mortality, determination of adequacy of dialysis is necessary. This study was conducted to determine adequacy of dialysis in continuous hemodialysis patients in Kamkar and Hazrat Vali Asr Hospitals in the state of Qom, Iran.

Methods

 This cross sectional descriptive-analytic study was conducted in 2006. The study variables were age, gender, height, weight and duration of dialysis. Data were collected by a questionnaire and URR, dKt/V, eKt/V and pKt/V were calculated. For statistical analysis, t-test, Fisher’s exact test and Pearson correlation were employed.

Results

 Of 238 patients, 51.7% and 48.3% were males and females respectively. The average age was 55.27 ± 16.79 years. Mean values of dKt/V, eKt/V, pKt/V and URR were 1.03 ± 0.232, 0.89 ± 0.196, 1.18 ± 0.254, and 57.46 ± 8.42 respectively. The percent of adequate dialysis in eKt/V, pKt/V and URR were 26.5%, 44.5% and 21% respectively. The mean age of insufficient eKt/V group was higher than adequate eKt/V group and t test showed a significant statistical correlation. Fisher’s exact test showed a significant correlation between adequate eKt/V and female gender, and also between eKt/V and URR. But chi-square test did not show a significant correlation between eKt/V and underling disease.

Conclusion

 We found that hemodialysis is inadequate in a high number of patients. Further studies with larger sample numbers are recommended to determine the underlying cause of this inadequacy.

Social-ecological enabling conditions for payments for ecosystem services

Directory of Open Access Journals (Sweden)

Heidi R. Huber-Stearns

2017-03-01

Full Text Available The concept of "enabling conditions" centers on conditions that facilitate approaches to addressing social and ecological challenges. Although multiple fields have independently addressed the concept of enabling conditions, the literature lacks a shared understanding or integration of concepts. We propose a more synthesized understanding of enabling conditions beyond disciplinary boundaries by focusing on the enabling conditions that influence the implementation of a range of environmental policies termed payments for ecosystem services (PES. Through an analysis of key literature from different disciplinary perspectives, we examined how researchers and practitioners refer to and identify enabling conditions within the context of PES. Through our synthesis, we identified 24 distinct enabling conditions organized within 4 broad themes: biophysical, economic, governance, and social-cultural conditions. We found that the literature coalesces around certain enabling conditions, such as strong ecosystem science and existing institutions, regardless of disciplinary background or journal audience. We also observed key differences in how authors perceive the direction of influence for property type, program objectives, and number of actors. Additionally, we noted an emphasis on the importance of the contextual nature of many enabling conditions that may cause certain conditions to have a disproportionate impact on successful implementation in some circumstances. Unraveling the relative importance of specific enabling conditions in diverse contexts remains a research frontier. Ultimately, no single disciplinary perspective is likely to provide all necessary insights for PES creation, and given the intertwined nature of enabling conditions, practitioners need to consider insights from multiple dimensions. Our work suggests opportunities to better connect diverse conversations through integration of concepts, a common vocabulary, and a synthetic framework.

Kinetics of solid-gas reactions characterized by scanning AC nano-calorimetry with application to Zr oxidation

International Nuclear Information System (INIS)

Xiao, Kechao; Lee, Dongwoo; Vlassak, Joost J.

2014-01-01

Scanning AC nano-calorimetry is a recently developed experimental technique capable of measuring the heat capacity of thin-film samples of a material over a wide range of temperatures and heating rates. Here, we describe how this technique can be used to study solid-gas phase reactions by measuring the change in heat capacity of a sample during reaction. We apply this approach to evaluate the oxidation kinetics of thin-film samples of zirconium in air. The results confirm parabolic oxidation kinetics with an activation energy of 0.59 ± 0.03 eV. The nano-calorimetry measurements were performed using a device that contains an array of micromachined nano-calorimeter sensors in an architecture designed for combinatorial studies. We demonstrate that the oxidation kinetics can be quantified using a single sample, thus enabling high-throughput mapping of the composition-dependence of the reaction rate.

Enhancing gas-phase reaction in a plasma using high intensity and high power ultrasonic acoustic waves

DEFF Research Database (Denmark)

2010-01-01

is absorbed into said plasma (104), and where a sound pressure level of said generated ultrasonic high intensity and high power acoustic waves (102) is at least substantially 140 dB and where an acoustic power of said generated ultrasonic high intensity and high power acoustic waves (102); is at least...... substantially 100 W. In this way, a high sound intensity and power are obtained that efficiently enhances a gas-phase reaction in the plasma, which enhances the plasma process, e.g. enabling more efficient ozone or hydrogen generation using plasma in relation to reaction speed and/or obtained concentration......This invention relates to enhancing a gas-phase reaction in a plasma comprising: creating plasma (104) by at least one plasma source (106), and wherein that the method further comprises: generating ultrasonic high intensity and high power acoustic waves (102) having a predetermined amount...

Continuous Flow Aerobic Alcohol Oxidation Reactions Using a Heterogeneous Ru(OH)x/Al2O3 Catalyst

Science.gov (United States)

2015-01-01

Ru(OH)x/Al2O3 is among the more versatile catalysts for aerobic alcohol oxidation and dehydrogenation of nitrogen heterocycles. Here, we describe the translation of batch reactions to a continuous-flow method that enables high steady-state conversion and single-pass yields in the oxidation of benzylic alcohols and dehydrogenation of indoline. A dilute source of O2 (8% in N2) was used to ensure that the reaction mixture, which employs toluene as the solvent, is nonflammable throughout the process. A packed bed reactor was operated isothermally in an up-flow orientation, allowing good liquid–solid contact. Deactivation of the catalyst during the reaction was modeled empirically, and this model was used to achieve high conversion and yield during extended operation in the aerobic oxidation of 2-thiophene methanol (99+% continuous yield over 72 h). PMID:25620869

Spatial dose and microdose distribution in tissues. Ionization, nuclear reactions, multiple scattering simulation of beam transport

International Nuclear Information System (INIS)

Jacquot, C.

1976-01-01

Computer simulation and nuclear emulsion and gelatin techniques enabled to give the total elastic and inelastic cross sections and to forecast the spatial microdose distributions in cells, nuclei and molecules. For this purpose, the transport of a beam into tissues having a given composition is calculated, the nuclear reactions are generated and the energy depositions in standard planes perpendicular to the beam are recorded

Procedures for Decomposing a Redox Reaction into Half-Reaction

Science.gov (United States)

Fishtik, Ilie; Berka, Ladislav H.

2005-01-01

A simple algorithm for a complete enumeration of the possible ways a redox reaction (RR) might be uniquely decomposed into half-reactions (HRs) using the response reactions (RERs) formalism is presented. A complete enumeration of the possible ways a RR may be decomposed into HRs is equivalent to a complete enumeration of stoichiometrically…

The efficiency of driving chemical reactions by a physical non-equilibrium is kinetically controlled.

Science.gov (United States)

Göppel, Tobias; Palyulin, Vladimir V; Gerland, Ulrich

2016-07-27

An out-of-equilibrium physical environment can drive chemical reactions into thermodynamically unfavorable regimes. Under prebiotic conditions such a coupling between physical and chemical non-equilibria may have enabled the spontaneous emergence of primitive evolutionary processes. Here, we study the coupling efficiency within a theoretical model that is inspired by recent laboratory experiments, but focuses on generic effects arising whenever reactant and product molecules have different transport coefficients in a flow-through system. In our model, the physical non-equilibrium is represented by a drift-diffusion process, which is a valid coarse-grained description for the interplay between thermophoresis and convection, as well as for many other molecular transport processes. As a simple chemical reaction, we consider a reversible dimerization process, which is coupled to the transport process by different drift velocities for monomers and dimers. Within this minimal model, the coupling efficiency between the non-equilibrium transport process and the chemical reaction can be analyzed in all parameter regimes. The analysis shows that the efficiency depends strongly on the Damköhler number, a parameter that measures the relative timescales associated with the transport and reaction kinetics. Our model and results will be useful for a better understanding of the conditions for which non-equilibrium environments can provide a significant driving force for chemical reactions in a prebiotic setting.

Resonance phase and sings of P-odd and P-even effects, observable in the reactions with neutrons

International Nuclear Information System (INIS)

Smotritskij, L.M.

2002-01-01

It is shown that introduction of the resonance phase for two quasistationary states with a similar spin and counter parity makes it possible to correlate the sing dependence of both the P-odd and P-even effects, experimentally observed in the reactions with neutrons. The common description of such effects enables determination of the theory unknown (free) parameters from the experiment [ru

Dual redox catalysts for oxygen reduction and evolution reactions: towards a redox flow Li-O2 battery.

Science.gov (United States)

Zhu, Yun Guang; Jia, Chuankun; Yang, Jing; Pan, Feng; Huang, Qizhao; Wang, Qing

2015-06-11

A redox flow lithium-oxygen battery (RFLOB) by using soluble redox catalysts with good performance was demonstrated for large-scale energy storage. The new device enables the reversible formation and decomposition of Li2O2 via redox targeting reactions in a gas diffusion tank, spatially separated from the electrode, which obviates the passivation and pore clogging of the cathode.

Detecting drug-drug interactions using a database for spontaneous adverse drug reactions : an example with diuretics and non-steroidal anti-inflammatory drugs

NARCIS (Netherlands)

van Puijenbroek, E P; Egberts, A C; Heerdink, E R; Leufkens, H G

2000-01-01

OBJECTIVE: Drug-drug interactions are relatively rarely reported to spontaneous reporting systems (SRSs) for adverse drug reactions. For this reason, the traditional approach for analysing SRS has major limitations for the detection of drug-drug interactions. We developed a method that may enable

Critical parameters near the ferromagnetic-paramagnetic phase transition in La0.7A0.3(Mn1-xbx)O3 (A=Sr; B=Ti and Al; x=0.0 and 0.05) compounds

International Nuclear Information System (INIS)

Khiem, N.V.; Phong, P.T.; Bau, L.V.; Nam, D.N.H.; Hong, L.V.; Phuc, N.X.

2009-01-01

The critical parameters provide important information concerning the interaction mechanisms near the paramagnetic-to-ferromagnetic transition. In this paper, we present a thorough study for the critical behavior of La 0.7 A 0.3 (Mn 1-x B x )O 3 (A=Sr; B=Ti and Al; x=0.0 and 0.05) polycrystalline samples near ferromagnetic-paramagnetic phase transition temperature by analyzing isothermal magnetization data. We have analyzed our dc-magnetization data near the transition temperature with the help of the modified Arrot plot, Kouvel-Fisher method. We have determined the critical temperature T C and the critical parameters β, γ and δ. With the values of T C , β and γ, we plot Mx(1-T/T C ) -β vs. Hx(1-T/T C ) -γ . All the data collapse on one of the two curves. This suggests that the data below and above T C obey scaling, following a single equation of state. Critical parameters for x=0 and x Ti =0.05 samples are between those predicted for a 3D-Heisenberg model and mean-field theory and for x Al =0.05 samples the values obtained for the critical parameters are close to those predicted by the mean-field theory.

Smart Grid Enabled EVSE

Energy Technology Data Exchange (ETDEWEB)

None, None

2015-01-12

The combined team of GE Global Research, Federal Express, National Renewable Energy Laboratory, and Consolidated Edison has successfully achieved the established goals contained within the Department of Energy’s Smart Grid Capable Electric Vehicle Supply Equipment funding opportunity. The final program product, shown charging two vehicles in Figure 1, reduces by nearly 50% the total installed system cost of the electric vehicle supply equipment (EVSE) as well as enabling a host of new Smart Grid enabled features. These include bi-directional communications, load control, utility message exchange and transaction management information. Using the new charging system, Utilities or energy service providers will now be able to monitor transportation related electrical loads on their distribution networks, send load control commands or preferences to individual systems, and then see measured responses. Installation owners will be able to authorize usage of the stations, monitor operations, and optimally control their electricity consumption. These features and cost reductions have been developed through a total system design solution.

Integrating Spatial Multi Criteria Decision Making (SMCDM) with Geographic Information Systems (GIS) for delineation of the most suitable areas for aquifer storage and recovery (ASR)

Science.gov (United States)

Ahani Amineh, Zainab Banoo; Hashemian, Seyyed Jamal Al-Din; Magholi, Alireza

2017-08-01

Hamoon-Jazmoorian plain is located in southeast of Iran. Overexploitation of groundwater in this plain has led to water level decline and caused serious problems such as land subsidence, aquifer destruction and water quality degradation. The increasing population and agricultural development along with drought and climate change, have further increased the pressure on water resources in this region over the last years. In order to overcome such crisis, introduction of surface water into an aquifer at particular locations can be a suitable solution. A wide variety of methods have been developed to recharge groundwater, one of which is aquifer storage and recovery (ASR). One of the fundamental principles of making such systems is delineation of suitable areas based on scientific and natural facts in order to achieve relevant objectives. To that end, the Multi Criteria Decision Making (MCDM) in conjunction with the Geographic Information Systems (GIS) was applied in this study. More specifically, nine main parameters including depth of runoff as the considered source of water, morphology of the earth surface features such as geology, geomorphology, land use and land cover, drainage and aquifer characteristics along with quality of water in the aquifer were considered as the main layers in GIS. The runoff water available for artificial recharge in the basin was estimated through Soil Conservation Service (SCS) curve number method. The weighted curve number for each watershed was derived through spatial intersection of land use and hydrological soil group layers. Other thematic layers were extracted from satellite images, topographical map, and other collateral data sources, then weighed according to their influence in locating process. The Analytical Hierarchy Process (AHP) method was then used to calculate weights of individual parameters. The normalized weighted layers were then overlaid to build up the recharge potential map. The results revealed that 34% of the

Bio-orthogonal Fluorescent Labelling of Biopolymers through Inverse-Electron-Demand Diels-Alder Reactions.

Science.gov (United States)

Kozma, Eszter; Demeter, Orsolya; Kele, Péter

2017-03-16

Bio-orthogonal labelling schemes based on inverse-electron-demand Diels-Alder (IEDDA) cycloaddition have attracted much attention in chemical biology recently. The appealing features of this reaction, such as the fast reaction kinetics, fully bio-orthogonal nature and high selectivity, have helped chemical biologists gain deeper understanding of biochemical processes at the molecular level. Listing the components and discussing the possibilities and limitations of these reagents, we provide a recent snapshot of the field of IEDDA-based biomolecular manipulation with special focus on fluorescent modulation approaches through the use of bio-orthogonalized building blocks. At the end, we discuss challenges that need to be addressed for further developments in order to overcome recent limitations and to enable researchers to answer biomolecular questions in more detail. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

SABIO-RK: an updated resource for manually curated biochemical reaction kinetics

Science.gov (United States)

Rey, Maja; Weidemann, Andreas; Kania, Renate; Müller, Wolfgang

2018-01-01

Abstract SABIO-RK (http://sabiork.h-its.org/) is a manually curated database containing data about biochemical reactions and their reaction kinetics. The data are primarily extracted from scientific literature and stored in a relational database. The content comprises both naturally occurring and alternatively measured biochemical reactions and is not restricted to any organism class. The data are made available to the public by a web-based search interface and by web services for programmatic access. In this update we describe major improvements and extensions of SABIO-RK since our last publication in the database issue of Nucleic Acid Research (2012). (i) The website has been completely revised and (ii) allows now also free text search for kinetics data. (iii) Additional interlinkages with other databases in our field have been established; this enables users to gain directly comprehensive knowledge about the properties of enzymes and kinetics beyond SABIO-RK. (iv) Vice versa, direct access to SABIO-RK data has been implemented in several systems biology tools and workflows. (v) On request of our experimental users, the data can be exported now additionally in spreadsheet formats. (vi) The newly established SABIO-RK Curation Service allows to respond to specific data requirements. PMID:29092055

Post-translational regulation enables robust p53 regulation.

Science.gov (United States)

Shin, Yong-Jun; Chen, Kai-Yuan; Sayed, Ali H; Hencey, Brandon; Shen, Xiling

2013-08-30

The tumor suppressor protein p53 plays important roles in DNA damage repair, cell cycle arrest and apoptosis. Due to its critical functions, the level of p53 is tightly regulated by a negative feedback mechanism to increase its tolerance towards fluctuations and disturbances. Interestingly, the p53 level is controlled by post-translational regulation rather than transcriptional regulation in this feedback mechanism. We analyzed the dynamics of this feedback to understand whether post-translational regulation provides any advantages over transcriptional regulation in regard to disturbance rejection. When a disturbance happens, even though negative feedback reduces the steady-state error, it can cause a system to become less stable and transiently overshoots, which may erroneously trigger downstream reactions. Therefore, the system needs to balance the trade-off between steady-state and transient errors. Feedback control and adaptive estimation theories revealed that post-translational regulation achieves a better trade-off than transcriptional regulation, contributing to a more steady level of p53 under the influence of noise and disturbances. Furthermore, post-translational regulation enables cells to respond more promptly to stress conditions with consistent amplitude. However, for better disturbance rejection, the p53- Mdm2 negative feedback has to pay a price of higher stochastic noise. Our analyses suggest that the p53-Mdm2 feedback favors regulatory mechanisms that provide the optimal trade-offs for dynamic control.

Nonlinear Wave Mixing Technique for Nondestructive Assessment of Infrastructure Materials

Science.gov (United States)

Ju, Taeho

mixing technique is adapted to develop an NDE technique for characterizing thermal aging of adhesive joints. To this end, a nonlinear spring model is used to simulate the effect of the adhesive layer. Based on this nonlinear spring model, analytical expressions of the resonant wave generated by the adhesive layers is obtained through an asymptotic analysis when the adhesive layer thickness is much smaller than the pertinent wavelength. The solutions are expressed in terms of the properties of the adhesive layer. The nonlinear spring model shows a good agreement with the finite layer model solutions in the limit of a small thickness to wavelength ratio. Third, to demonstrate the effectiveness of this newly developed technique, measurements are conducted on adhesive joint samples made of two aluminum adherends bonded together by a polymer adhesive tape. The samples are aged in a thermal chamber to induce thermal ageing degradation in the adhesive layer. Using the developed wave-mixing technique in conjunction with the nonlinear spring model, we show that the thermal aging damage of the adhesive layer can be quantified from only one side of the sample. Finally, by mixing two L-waves, we develop a mixing technique to nondestructively evaluate the damage induced by alkali-silica reaction (ASR) in concrete. Experimental measurements are conducted on concrete prism samples that contain reactive aggregates and have been subjected to different ASR conditioning. This new technique takes into consideration of the significant attenuation caused by ASR-induced microcracks and scattering by the aggregates. The measurement results show that the ANLP has a much greater sensitivity to ASR damage than other parameters such as attenuation and wave speed. More remarkably, it is also found that the measured acoustic nonlinearity parameter is well-correlated with the reduction of the compressive strength induced by ASR damage. Thus, ANLP can be used to nondestructively track ASR damage in

Chemical kinetics and reaction mechanism

International Nuclear Information System (INIS)

Jung, Ou Sik; Park, Youn Yeol

1996-12-01

This book is about chemical kinetics and reaction mechanism. It consists of eleven chapters, which deal with reaction and reaction speed on reaction mechanism, simple reaction by rate expression, reversible reaction and simultaneous reaction, successive reaction, complicated reaction mechanism, assumption for reaction mechanism, transition state theory, successive reaction and oscillating reaction, reaction by solution, research method high except kinetics on reaction mechanism, high reaction of kinetics like pulsed radiolysis.

People avoid situations that enable them to deceive others

NARCIS (Netherlands)

Shalvi, S.; Handgraaf, M.J.J.; de Dreu, C.K.W.

2011-01-01

Information advantage enables people to benefit themselves by deceiving their counterparts. Using a modified ultimatum bargaining game with an exit option, we find that people are more likely to avoid settings enabling them to privately deceive their counterparts than settings which do not enable

Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions.

Science.gov (United States)

Singh, Raman K; Tsuneda, Takao

2013-02-15

The possibility of quantitative reaction analysis on the orbital energies of long-range corrected density functional theory (LC-DFT) is presented. First, we calculated the Diels-Alder reaction enthalpies that have been poorly given by conventional functionals including B3LYP functional. As a result, it is found that the long-range correction drastically improves the reaction enthalpies. The barrier height energies were also computed for these reactions. Consequently, we found that dispersion correlation correction is also crucial to give accurate barrier height energies. It is, therefore, concluded that both long-range exchange interactions and dispersion correlations are essentially required in conventional functionals to investigate Diels-Alder reactions quantitatively. After confirming that LC-DFT accurately reproduces the orbital energies of the reactant and product molecules of the Diels-Alder reactions, the global hardness responses, the halves of highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energy gaps, along the intrinsic reaction coordinates of two Diels-Alder reactions were computed. We noticed that LC-DFT results satisfy the maximum hardness rule for overall reaction paths while conventional functionals violate this rule on the reaction pathways. Furthermore, our results also show that the HOMO-LUMO gap variations are close to the reaction enthalpies for these Diels-Alder reactions. Based on these results, we foresee quantitative reaction analysis on the orbital energies. Copyright © 2012 Wiley Periodicals, Inc.

Dynamic pathways to mediate reactions buried in thermal fluctuations. I. Time-dependent normal form theory for multidimensional Langevin equation.

Science.gov (United States)

Kawai, Shinnosuke; Komatsuzaki, Tamiki

2009-12-14

We present a novel theory which enables us to explore the mechanism of reaction selectivity and robust functions in complex systems persisting under thermal fluctuation. The theory constructs a nonlinear coordinate transformation so that the equation of motion for the new reaction coordinate is independent of the other nonreactive coordinates in the presence of thermal fluctuation. In this article we suppose that reacting systems subject to thermal noise are described by a multidimensional Langevin equation without a priori assumption for the form of potential. The reaction coordinate is composed not only of all the coordinates and velocities associated with the system (solute) but also of the random force exerted by the environment (solvent) with friction constants. The sign of the reaction coordinate at any instantaneous moment in the region of a saddle determines the fate of the reaction, i.e., whether the reaction will proceed through to the products or go back to the reactants. By assuming the statistical properties of the random force, one can know a priori a well-defined boundary of the reaction which separates the full position-velocity space in the saddle region into mainly reactive and mainly nonreactive regions even under thermal fluctuation. The analytical expression of the reaction coordinate provides the firm foundation on the mechanism of how and why reaction proceeds in thermal fluctuating environments.

Physician communication via Internet-enabled technology: A systematic review.

Science.gov (United States)

Barr, Neil G; Randall, Glen E; Archer, Norman P; Musson, David M

2017-10-01

The use of Internet-enabled technology (information and communication technology such as smartphone applications) may enrich information exchange among providers and, consequently, improve health care delivery. The purpose of this systematic review was to gain a greater understanding of the role that Internet-enabled technology plays in enhancing communication among physicians. Studies were identified through a search in three electronic platforms: the Association for Computing Machinery Digital Library, ProQuest, and Web of Science. The search identified 5140 articles; of these, 21 met all inclusion criteria. In general, physicians were satisfied with Internet-enabled technology, but consensus was lacking regarding whether Internet-enabled technology improved efficiency or made a difference to clinical decision-making. Internet-enabled technology can play an important role in enhancing communication among physicians, but the extent of that benefit is influenced by (1) the impact of Internet-enabled technology on existing work practices, (2) the availability of adequate resources, and (3) the nature of institutional elements, such as privacy legislation.

The ENABLER---based on proven NERVA technology

International Nuclear Information System (INIS)

Livingston, J.M.; Pierce, B.L.

1991-01-01

The ENABLER reactor for use in a nuclear thermal propulsion engine uses the technology developed in the NERVA/Rover program, updated to incorporate advances in the technology. Using composite fuel, higher power densities per fuel element, improved radiation resistant control components and the advancements in use of carbon-carbon materials; the ENABLER can provide a specific impulse of 925 seconds, an engine thrust to weight (excluding reactor shield) approaching five, an improved initial Mass In Low Earth Orbit (IMLEO) and a consequent reduction in launch costs and logistics problems. This paper describes the 75,000 lbs thrust ENABLER design which is a low cost, low risk approach to meeting tomorrow's space propulsion needs

The ENABLER - Based on proven NERVA technology

International Nuclear Information System (INIS)

Livingston, J.M.; Pierce, B.L.

1991-01-01

The ENABLER reactor for use in a nuclear thermal propulsion engine uses the technology developed in the NERVA/Rover program, updated to incorporate advances in the technology. Using composite fuel, higher power densities per fuel element, improved radiation resistant control components and the advancements in use of carbon-carbon materials; the ENABLER can provide a specific impulse of 925 seconds, an engine thrust to weight (excluding reactor shield) approaching five, an improved initial mass in low Earth orbit and a consequent reduction in launch costs and logistics problems. This paper describes the 75,000 lbs thrust ENABLER design which is a low cost, low risk approach to meeting tommorrow's space propulsion needs

The ENABLER - Based on proven NERVA technology

Science.gov (United States)

Livingston, Julie M.; Pierce, Bill L.

The ENABLER reactor for use in a nuclear thermal propulsion engine uses the technology developed in the NERVA/Rover program, updated to incorporate advances in the technology. Using composite fuel, higher power densities per fuel element, improved radiation resistant control components and the advancements in use of carbon-carbon materials; the ENABLER can provide a specific impulse of 925 seconds, an engine thrust to weight (excluding reactor shield) approaching five, an improved initial mass in low Earth orbit and a consequent reduction in launch costs and logistics problems. This paper describes the 75,000 lbs thrust ENABLER design which is a low cost, low risk approach to meeting tommorrow's space propulsion needs.

Internet-enabled collaborative agent-based supply chains

Science.gov (United States)

Shen, Weiming; Kremer, Rob; Norrie, Douglas H.

2000-12-01

This paper presents some results of our recent research work related to the development of a new Collaborative Agent System Architecture (CASA) and an Infrastructure for Collaborative Agent Systems (ICAS). Initially being proposed as a general architecture for Internet based collaborative agent systems (particularly complex industrial collaborative agent systems), the proposed architecture is very suitable for managing the Internet enabled complex supply chain for a large manufacturing enterprise. The general collaborative agent system architecture with the basic communication and cooperation services, domain independent components, prototypes and mechanisms are described. Benefits of implementing Internet enabled supply chains with the proposed infrastructure are discussed. A case study on Internet enabled supply chain management is presented.

Gas phase reactions of organic iodine in containment conditions

International Nuclear Information System (INIS)

Kaerkalae, T.; Holm, J.; Auvinen, A.; Zilliacus, R.; Kajolinna, T.; Tapper, U.; Gaenneskog, H.; Ekberg, C.

2010-01-01

used as its source. With a separate generator, ozone concentration was sufficiently high to be detected at the outlet of the facility and thus enabling the study of the reaction kinetics. The transported fractions for both methyl iodide and ozone decreased with increasing reaction temperature. The main gaseous reaction products were methanol and formaldehyde. Especially at elevated temperature other reaction products, such as formic acid and methyl formate, became important as well. (authors)

A New Efficient Algorithm for the All Sorting Reversals Problem with No Bad Components.

Science.gov (United States)

Wang, Biing-Feng

2016-01-01

The problem of finding all reversals that take a permutation one step closer to a target permutation is called the all sorting reversals problem (the ASR problem). For this problem, Siepel had an O(n (3))-time algorithm. Most complications of his algorithm stem from some peculiar structures called bad components. Since bad components are very rare in both real and simulated data, it is practical to study the ASR problem with no bad components. For the ASR problem with no bad components, Swenson et al. gave an O (n(2))-time algorithm. Very recently, Swenson found that their algorithm does not always work. In this paper, a new algorithm is presented for the ASR problem with no bad components. The time complexity is O(n(2)) in the worst case and is linear in the size of input and output in practice.

The NASA Aviation Safety Reporting System

Science.gov (United States)

1983-01-01

This is the fourteenth in a series of reports based on safety-related incidents submitted to the NASA Aviation Safety Reporting System by pilots, controllers, and, occasionally, other participants in the National Aviation System (refs. 1-13). ASRS operates under a memorandum of agreement between the National Aviation and Space Administration and the Federal Aviation Administration. The report contains, first, a special study prepared by the ASRS Office Staff, of pilot- and controller-submitted reports related to the perceived operation of the ATC system since the 1981 walkout of the controllers' labor organization. Next is a research paper analyzing incidents occurring while single-pilot crews were conducting IFR flights. A third section presents a selection of Alert Bulletins issued by ASRS, with the responses they have elicited from FAA and others concerned. Finally, the report contains a list of publications produced by ASRS with instructions for obtaining them.

Analysis of the fuel influence in obtaining HAp by combustion reaction; Analise da influencia do combustivel na obtencao de HAp via reacao de combustao

Energy Technology Data Exchange (ETDEWEB)

Santos, T.L.; Leite, A.M.D.; Viana, K.M.S., E-mail: kalineviana@ect.ufrn.br [Universidade Federal do Rio Grande do Norte (UFRN), Natal, RN (Brazil). Escola de Ciencias e Tecnologia

2016-07-01

The search for new materials for biomedical applications has led to investigation of the calcium phosphate bioceramics, and in particular hydroxyapatite (HAp), being a material similar to bone tissue, with excellent biocompatibility and high osteoconduction, enabling bone regeneration which allows the use at implants and prostheses. The synthesis of the nanometric HAp by combustion reaction enables obtaining the nanometric HAp with a more similar structure biological apatite as possible. This work aims to synthesize HAp by combustion reaction using two different routes of synthesis, first, using urea as fuel and the second using glycine, after this, evaluate the influence of fuels used in the microstructure of the hydroxyapatite obtained. The HAp obtained was characterized by: XRD, FTIR and SEM. Through analysis of the results, there is the synthesis conditions used that glycine has performed more favorable to obtaining HAp. (author)

The Phase Behavior Effect on the Reaction Engineering of Transesterification Reactions and Reactor Design for Continuous Biodiesel Production

Science.gov (United States)

Csernica, Stephen N.

The demand for renewable forms of energy has increased tremendously over the past two decades. Of all the different forms of renewable energy, biodiesel, a liquid fuel, has emerged as one of the more viable possibilities. This is in large part due to the fact that biodiesel can readily be used in modern day diesel engines with nearly no engine modifications. It is commonly blended with conventional petroleum-derived diesel but it can also be used neat. As a result of the continued growth of the industry, there has been a correspondingly large increase in the scientific and technical research conducted on the subject. Much of the research has been conducted on the feasibility of using different types of feedstocks, which generally vary with respect to geographic locale, as well as different types of catalysts. Much of the work of the present study was involved with the investigation of the binary liquid-liquid nature of the system and its effects on the reaction kinetics. Initially, the development of an analytical method for the analysis of the compounds present in transesterification reaction mixtures using high performance liquid chromatography (HPLC) was developed. The use of UV(205 nm) as well as refractive index detection (RID) were shown capable to detect the various different types of components associated with transesterification reactions. Reversed-phase chromatography with isocratic elution was primarily used. Using a unique experimental apparatus enabling the simultaneous analysis of both liquid phases throughout the reaction, an experimental method was developed for measuring the reaction rate under both mass transfer control and reaction control. The transesterification reaction rate under each controlling mechanism was subsequently evaluated and compared. It was determined that the reaction rate is directly proportional to the concentration of triglycerides in the methanol phase. Furthermore, the reaction rate accelerates rapidly as the system

Trends in bipolar disorder or depression as a cause of death on death certificates of US residents, 1999-2009.

Science.gov (United States)

Polednak, Anthony P

2013-07-01

Temporal trends in mortality from bipolar disorder (BD) or depression in the US population, based on multiple causes (MC) rather than underlying cause (UC) alone on death certificates, apparently have not been examined. The annual US age-standardized rate (ASR) for deaths per 100,000 US residents age 15+ years, and age-specific rates, for BD or depression using MC versus UC alone was examined for 1999-2009; percentage change (PC) from 1999 to 2009 was calculated. The ASRs at age 15+ years were much higher using MC than UC alone. For BD using MC, the ASR increased from 1999 to 2009 (PC +69.2 %) with larger increases in age groups within 15-64 years (PCs about 200 %). For depression using MC, the ASR rose from 1999 to 2003 and then declined, but the decline was restricted to age 65+ years; the ASR at age 15-64 years increased from 1999 to 2009 (PC +55.5 %). For deaths at age 15-64 years with BD or depression as other than UC, the ASRs increased for external causes, cardiovascular diseases, external causes, and neoplasms as UC. The large increases in mortality from BD using MC are consistent with reported increases in BD prevalence rates in the US population. The temporal increases in death rates related to mood disorders at age 15-64 years may provide further support for the need for interventions to address the mediators of excess mortality identified from cohort studies.

Experimental and numerical reaction analysis on sodium-water chemical reaction field

International Nuclear Information System (INIS)

Deguchi, Yoshihiro; Takata, Takashi; Yamaguchi, Akira; Kikuchi, Shin; Ohshima, Hiroyuki

2015-01-01

In a sodium-cooled fast reactor (SFR), liquid sodium is used as a heat transfer fluid because of its excellent heat transport capability. On the other hand, it has strong chemical reactivity with water vapor. One of the design basis accidents of the SFR is the water leakage into the liquid sodium flow by a breach of heat transfer tubes. This process ends up damages on the heat transport equipment in the SFR. Therefore, the study on sodium-water chemical reactions is of paramount importance for security reasons. This study aims to clarify the sodium-water reaction mechanisms using an elementary reaction analysis. A quasi one-dimensional flame model is applied to a sodium-water counter-flow reaction field. The analysis contains 25 elementary reactions, which consist of 17 H_2-O_2 and 8 Na-H_2O reactions. Temperature and species concentrations in the counter-flow reaction field were measured using laser diagnostics such as LIF and CARS. The main reaction in the experimental conditions is Na+H_2O → NaOH+H and OH is produced by H_2O+H → H_2+OH. It is demonstrated that the reaction model in this study well explains the structure of the sodium-water counter-flow diffusion flame. (author)

Detection of different oxidation states of individual manganese porphyrins during their reaction with oxygen at a solid/liquid interface.

Science.gov (United States)

den Boer, Duncan; Li, Min; Habets, Thomas; Iavicoli, Patrizia; Rowan, Alan E; Nolte, Roeland J M; Speller, Sylvia; Amabilino, David B; De Feyter, Steven; Elemans, Johannes A A W

2013-07-01

Manganese porphyrins have been extensively investigated as model systems for the natural enzyme cytochrome P450 and as synthetic oxidation catalysts. Here, we report single-molecule studies of the multistep reaction of manganese porphyrins with molecular oxygen at a solid/liquid interface, using a scanning tunnelling microscope (STM) under environmental control. The high lateral resolution of the STM, in combination with its sensitivity to subtle differences in the electronic properties of molecules, allowed the detection of at least four distinct reaction species. Real-space and real-time imaging of reaction dynamics enabled the observation of active sites, immobile on the experimental timescale. Conversions between the different species could be tuned by the composition of the atmosphere (argon, air or oxygen) and the surface bias voltage. By means of extensive comparison of the results to those obtained by analogous solution-based chemistry, we assigned the observed species to the starting compound, reaction intermediates and products.

Thermonuclear reaction listing

International Nuclear Information System (INIS)

Fukai, Yuzo

1993-01-01

The following 10 elements, including T, are well known as nuclear fusion fuels: p, D, T, 3 He, 4 He, 6 Li, 7 Li, 9 Be, 10 B, 11 B, ( 12 C, 13 C), where 12 C and 13 C are considered only in the calculation of Q value. Accordingly the number of the thermonuclear reactions is 55, and 78, if including carbon elements. The reactions have some branches. For the branches having two and three reaction products, the reaction products, Q value and threshold energy are calculated by using a computer. We have investigated those of the branches having more than three products from the papers of Ajzenberg-Selove and so on. And also, by the same papers, we check whether the above mentioned branch has been observed or not. The results are as follows: (I) the number of reactions which have Q 0 branches only with γ ray production, and Q 0 and neutron production is 36(17), and (IV) that of reactions whose branch with Q > 0 does not produce neutrons is 9(3). The value in the parentheses shows the number of the case of the carbon elements. For 55 thermonuclear reactions induced by lighter nuclides than 11 B, the reaction products, the values of Q and threshold energy, and the papers with reaction cross section data are presented in the tables. (author)

A Comparison of Active Student Responding Modalities in a General Psychology Course

Science.gov (United States)

Zayac, Ryan M.; Ratkos, Thom; Frieder, Jessica E.; Paulk, Amber

2016-01-01

Research on teaching has shown that incorporating active student responding (ASR) into classroom instruction facilitates learning and should be considered best practice. Nevertheless, few published studies have examined ASR using a within-participant design across a semester. Using a counterbalanced alternating treatment design, a direct…

Does the conductivity of interconnect coatings matter for solid oxide fuel cell applications?

Science.gov (United States)

Goebel, Claudia; Fefekos, Alexander G.; Svensson, Jan-Erik; Froitzheim, Jan

2018-04-01

The present work aims to quantify the influence of typical interconnect coatings used for solid oxide fuel cells (SOFC) on area specific resistance (ASR). To quantify the effect of the coating, the dependency of coating thickness on the ASR is examined on Crofer 22 APU at 600 °C. Three different Co coating thicknesses are investigated, 600 nm, 1500 nm, and 3000 nm. Except for the reference samples, the material is pre-oxidized prior to coating to mitigate the outward diffusion of iron and consequent formation of poorly conducting (Co,Fe)3O4 spinel. Exposures are carried out at 600 °C in stagnant laboratory air for 500 h and subsequent ASR measurements are performed. Additionally the microstructure is investigated with scanning electron microscopy (SEM). On all pre-oxidized samples, a homogenous dense Co3O4 top layer is observed beneath which a thin layer of Cr2O3 is present. As the ASR values range between 7 and 12 mΩcm2 for all pre-oxidized samples, even though different Co3O4 thicknesses are observed, the results strongly suggest that for most applicable cases the impact of the coating on ASR is negligible and the main contributor is Cr2O3.

The epidemiologic status of gynecologic cancer in Thailand.

Science.gov (United States)

Wilailak, Sarikapan; Lertchaipattanakul, Nuttapong

2016-11-01

Between the years of 2010-2012, it was estimated there were a total of 112,392 new cases of cancers in Thailand, thus, the total age-standardized rate (ASR) per 100,000 is 137.6. In regards to the most prevalent types of cancer in female, breast cancer has the highest ASR, followed by cervical cancer (ASR=14.4); liver and bile duct cancer; colon and rectum cancer; trachea, bronchus and lung cancer; ovarian cancer (ASR=6.0); thyroid cancer; non-Hodgkin lymphoma and uterine cancer (ASR=4.3). The trend of cervical cancer in Thailand is decreasing, one key factor in making this possible was the employment of dual tract strategy (Pap smear and visual inspection with acetic acid [VIA]) by the government in 2005. In the future, the government is also considering integrating human papillomavirus (HPV) vaccination into the national immunization program, which may assist in the prevention of cervical cancer. By studying the statistical data of gynecologic cancer, it will be possible to formulate measures for the prevention, control and treatment of gynecologic cancer. Eventually, it will potentially improve the quality of life (QoL) of patients as well as decrease the mortality rate caused by gynecologic cancer.

Breaking the regioselectivity rule for acrylate insertion in the Mizoroki-Heck reaction.

Science.gov (United States)

Wucher, Philipp; Caporaso, Lucia; Roesle, Philipp; Ragone, Francesco; Cavallo, Luigi; Mecking, Stefan; Göttker-Schnetmann, Inigo

2011-05-31

In modern methods for the preparation of small molecules and polymers, the insertion of substrate carbon-carbon double bonds into metal-carbon bonds is a fundamental step of paramount importance. This issue is illustrated by Mizoroki-Heck coupling as the most prominent example in organic synthesis and also by catalytic insertion polymerization. For unsymmetric substrates H(2)C = CHX the regioselectivity of insertion is decisive for the nature of the product formed. Electron-deficient olefins insert selectively in a 2,1-fashion for electronic reasons. A means for controlling this regioselectivity is lacking to date. In a combined experimental and theoretical study, we now report that, by destabilizing the transition state of 2,1-insertion via steric interactions, the regioselectivity of methyl acrylate insertion into palladium-methyl and phenyl bonds can be inverted entirely to yield the opposite "regioirregular" products in stoichiometric reactions. Insights from these experiments will aid the rational design of complexes which enable a catalytic and regioirregular Mizoroki-Heck reaction of electron-deficient olefins.

Analysis of mechanism of complex chemical reaction taking radiation chemical purification of gases from impurities as an example