bluuebunny/crossref_metadata_2025_split huggingface dataset:
Crystallographic analysis and structure‐guided engineering of NADPH‐dependent Ralstonia sp. Alcohol dehydrogenase toward NADH cosubstrate specificity
Authors: Lerchner Alexandra , Jarasch Alexander , Meining Winfried , Schiefner André , Skerra Arne 
Published: May 2013

ABSTRACTThe NADP+‐dependent alcohol dehydrogenase from Ralstonia sp. (RasADH) belongs to the protein superfamily of short‐chain dehydrogenases/reductases (SDRs). As an enzyme that accepts different types of substrates—including bulky–bulky as well as small–bulky secondary alcohols or ketones—with high stereoselectivity, it offers potential as a biocatalyst for industrial biotechnology. To understand substrate and cosubstrate specificities of RasADH we determined the crystal structure of the apo‐enzyme as well as its NADP+‐bound state with resolutions down to 2.8 Å. RasADH displays a homotetrameric quaternary structure that can be described as a dimer of homodimers while in each subunit a seven‐stranded parallel β‐sheet, flanked by three α‐helices on each side, forms a Rossmann fold‐type dinucleotide binding domain. Docking of the well‐known substrate (S)‐1‐phenylethanol clearly revealed the structural determinants of stereospecificity. To favor practical RasADH application in the context of established cofactor recycling systems, for example, those involving an NADH‐dependent amino acid dehydrogenase, we attempted to rationally change its cosubstrate specificity from NADP+ to NAD+ utilizing the structural information that NADP+ specificity is largely governed by the residues Asn15, Gly37, Arg38, and Arg39. Furthermore, an extensive sequence alignment with homologous dehydrogenases that have different cosubstrate specificities revealed a modified general SDR motif ASNG (instead of NNAG) at positions 86–89 of RasADH. Consequently, we constructed mutant enzymes with one (G37D), four (N15G/G37D/R38V/R39S), and six (N15G/G37D/R38V/R39S/A86N/S88A) amino acid exchanges. RasADH (N15G/G37D/R38V/R39S) was better able to accept NAD+ while showing much reduced catalytic efficiency with NADP+, leading to a change in NADH/NADPH specificity by a factor of ∼3.6 million. Biotechnol. Biotechnol. Bioeng. 2013;110: 2803–2814. © 2013 Wiley Periodicals, Inc.
Palladium–Poly(3‐aminoquinoline) Hollow‐Sphere Composite: Application in Sonogashira Coupling Reactions
Authors: Ul Islam Rafique , Mahato Sanjit K. , Shukla Sudheesh K. , Witcomb Michael J. , Mallick Kaushik 
Published: May 2013

AbstractWe report on the use of palladium acetate for the synthesis of a palladium‐based polymer composite material as a catalyst for Sonogashira cross‐coupling reactions for aryl and heteroaryl of iodides and bromides.
Morphology and Performance of Poly(2‐methoxy‐5‐(20‐ethyl‐hexyloxy)‐p‐phenylenevinylene) (MEH‐PPV):(6,6)‐phenyl‐C61‐butyric Acid Methyl Ester (PCBM) Based Polymer Solar Cells
Authors: Liu Leijing , Bavel Svetlana van , Wen Shanpeng , Yang Xiaoniu , Loos Joachim 
Published: May 2013

AbstractPolymer solar cells were fabricated based on composite films of poly(2‐methoxy‐5‐(2′‐ethyl‐hexyloxy)‐1,4‐phenylenevinylene) (MEH‐PPV):fullerene derivative (6,6)‐phenyl‐C61‐butyric acid methyl ester (PCBM) with weight blend ratio of 1:3, 1:4 and 1:5, spin‐coated from chloroform (CF), chlorobenzene (CB), and o‐dichlorobenzene (ODCB) solutions, respectively. Photoinduced current and power conversion efficiency (PCE) of the devices show a dependence on the solvents. The solar cells have the highest PCE at 1:5 blend ratio. Transmission electron microscopy (TEM) morphology reveals that there are some voids in MEH‐PPV:PCBM films. The void number decreases with the solvent from CF to CB and ODCB. We found the voids are located at the bottom of the films through electron tomography technique by TEM and film bottom‐side morphology study by atomic force microscopy. The charge carrier transport efficiency and collection efficiency should decrease greatly due to the voids, and the more voids the film has, the more degree the efficiencies decrease. PCE of the solar cell prepared from CF is lower than that of the solar cells prepared from CB and ODCB. The void phenomenon of MEH‐PPV:PCBM based solar cell and method to investigate the void position provide an experimental evidence and research mentality to fabricate polymer solar cell with high performance.
Highly Selective Fluorescent Recognition towards Th4+ Based on Coumarin‐derivatized Crescent Aromatic Oligoamide
Authors: Gao Rongzhao , Hu Jinchuan , Zhang Ke , He Youzhou , Liu Peng , Luo Shunzhong , Yang Yanqiu , Yang Liang , Feng Wen , Yuan Lihua 
Published: May 2013

AbstractAn intramolecularly hydrogen‐bonded crescent aromatic oligoamide 1 bearing two coumarin residues was synthesized. The results from UV‐vis and fluorescent spectra upon metal ions complexation demonstrated that the two fluorophores serving as parts of the shape‐persistent backbone provided the molecule with high selectivity and sensitivity for recognition of Th4+ over other lanthanide and uranyl ions. A 48‐fold fluorescent enhancement in the intensity was observed at 505 nm upon adding Th4+, while other metal cations failed to induce such a significant change. A visual detection for Th4+ was achieved by color change. The stoichiometry of the complex formed by 1 and Th4+ was found to be 1:1 with the stability constant of (2.0±0.6)×106 L·mol−1.
Recent Developments of Atomic Layer Deposition Processes for Metallization
Authors: Li Wei‐Min 
Published: May 2013

AbstractAtomic layer deposition (ALD) has become an enabling technology for a wide range of applications where depositions of high quality, conformal thin films are desired. The needs of conducting materials with tailored properties call for ALD metallization processes that can meet diverse requirements in various applications. Recent developments of ALD processes for conducting materials have led to some novel ALD chemistries. Most of the ALD binary materials are formed in a typical AB sequence from two reactants. More complex ternary and doped materials can be achieved according to the same AB sequence principle through nano‐lamination of two binary materials using three or more reactants. It is demonstrated that ternary and elemental materials can be deposited using two reactants with a basic ALD AB sequence. Furthermore, an ALD process is not limited to an AB sequence, an ABC sequence with a surface‐controlled ALD reaction is also possible. A double replacement reaction mechanism is proposed with examples of novel processes such as TaCxNy, WCx, and WNxCy. Recent developments of ALD metallization processes have opened up more opportunities of producing novel ALD materials for industrial applications.
A detachable mobile and adjustable telemetry system
Authors: Parker Tommy S. , Persons William E. , Bradley Joseph G. , Gregg Margaret , Gonzales Shinelle K. , Helton Jesse S. 
Published: May 2013

AbstractMany traditional mobile telemetry systems require permanently mounting a rod through the cabin of a vehicle to serve as the mast for a directional antenna. In this article we present an alternative to this configuration by providing a platform that can be placed atop the vehicle in which the antenna mast can be mounted and controlled from the cabin of the vehicle. Thereby making this design a viable option for researchers who share vehicles with others that may not approve of permanent vehicle modifications such as placing a hole in the roof of the vehicle as required by traditional mobile configurations. We tested the precision and accuracy of detachable mobile and adjustable telemetry system (DMATS) in an urban park with varying terrain, tree stands, overhead wires, and other structures that can contribute to signal deflection. We placed three radiocollars 50 m apart and 1.2 m above the ground then established three testing stations ~280 m from the location of the radiocollars. The DMATS platform required 12 h for completion and cost $1059 USD. Four technicians were randomly assigned radio collars to triangulate using DMATS and a handheld telemetry system. We used a one‐way analysis of variance (ANOVA) with a Scheffe post hoc test to compare error ellipses between azimuths taken using DMATS and the hand held system. Average error ellipses for all testers was 1.96 ± 1.22 ha. No significant differences were found between error ellipses of testers (P = 0.292). Our design, the DMATS, does not require any vehicle modification; thereby, making this a viable option for researchers sharing vehicles with others that may not approve of permanent vehicle alterations.
Dioxomolybdenum(VI) Complexes with Acylpyrazolonate Ligands: Synthesis, Structures, and Catalytic Properties
Authors: Hills Lily , Moyano Raquel , Montilla Francisco , Pastor Antonio , Galindo Agustín , Álvarez Eleuterio , Marchetti Fabio , Pettinari Claudio 
Published: May 2013

AbstractThe complexes [Mo(O)2(QR)2] [R = cyclohexyl (1), ethylcyclopentyl (2), hexyl (3), and neopentyl (4)] have been obtained in good yields by treatment of [Mo(O)2(acac)2] with 2 equivalents of acylpyrazolone compounds HQR [HQR = 3‐methyl‐1‐phenyl‐4‐alkylcarbonyl‐5‐pyrazolone; R = cyclohexyl (HQCy), ethylcyclopentyl (HQEtCp), hexyl (HQHe), neopentyl (HQnPe)]. They were isolated as yellow crystalline solids and characterized spectroscopically [IR, 1H and 13C(1H) NMR] and structurally (X‐ray for 2 and 3). The deoxygenation of selected epoxide substrates to alkenes by employing compounds 1 and 3 as catalysts and PPh3 as the oxygen acceptor showed good activities in toluene. The use of the ionic liquid [C4mim]PF6 as solvent gave lower yields, but the resulting catalytic system could be conveniently recycled. The [Mo(O)2(QR)2] derivatives 1 and 3 were also found to be moderately active catalysts for the deoxydehydration of vicinal diols.
Biomagnification and tissue distribution of perfluoroalkyl substances (PFASs) in market-size rainbow trout (Oncorhynchus mykiss)
Authors: Goeritz Ina , Falk Sandy , Stahl Thorsten , Schäfers Christoph , Schlechtriem Christian 
Published: May 2013

Abstract

The present study investigated the biomagnification potential as well as the substance and tissue-specific distribution of perfluoroalkyl substances (PFASs) in market-size rainbow trout (Oncorhynchus mykiss). Rainbow trout with an average body weight of 314 ± 21 g were exposed to perfluorobutane sulfonate (PFBS), perfluorohexane sulfonate (PFHxS), perfluorooctane sulfonate (PFOS), perfluorooctanoic acid (PFOA), and perfluorononanoic acid (PFNA) in the diet for 28 d. The accumulation phase was followed by a 28-d depuration phase, in which the test animals were fed with nonspiked trout feed. On days 0, 7, 14, 28, 31, 35, 42, and 56 of the present study, fish were sampled from the test basin for PFAS analysis. Biomagnification factors (BMFs) for all test compounds were determined based on a kinetic approach. Distribution factors were calculated for each test compound to illustrate the disposition of PFASs in rainbow trout after 28 d of exposure. Dietary exposure of market-size rainbow trout to PFASs did not result in biomagnification; BMF values were calculated as 0.42 for PFOS, &gt;0.23 for PFNA, &gt;0.18 for PFHxS, &gt;0.04 for PFOA, and &gt;0.02 for PFBS, which are below the biomagnification threshold of 1. Liver, blood, kidney, and skin were identified as the main target tissues for PFASs in market-size rainbow trout. Evidence was shown that despite relative low PFAS contamination, the edible parts of the fish (the fillet and skin) can significantly contribute to the whole-body burden. Environ Toxicol Chem 2013;32:2078–2088. © 2013 SETAC
Green Tax Incentives Still Available Although Cash Grants Not Extended
Authors: Parker Kathy 
Published: May 2013

AbstractOver the past several years, the renewable energy industry has enjoyed increasing growth, thanks in large part to the provisions available through the 1603 cash grant program. Under this program, energy projects found it much easier to fund the completion of projects. When the 1603 program was not extended, this left a gap in the financial resources available to new renewable energy projects, and created additional challenges for those attempting to complete projects already in progress. The days of the bridge loan secured by a 1603 grant are over.
BIRTH WEIGHT AND FAMILY STATUS REVISITED: EVIDENCE FROM AUSTRIAN REGISTER DATA
Authors: Frimmel Wolfgang , Pruckner Gerald J. 
Published: May 2013

ABSTRACTIn this paper, we study the socio‐economic determinants of birth weight, with a focus on the mother's family status. We use Austrian birth register data covering all births between 1984 and 2007 and find that a mother's marriage is associated with a higher birth weight of the newborn, in the range of 40 to 60 g. The significant impact is retained if we include mother fixed effects or use an instrumental variable approach to account for unobserved mother heterogeneity. However, the magnitude of the causal effect (37 g) clearly indicates the importance of selection into marriage. Divorce around pregnancy results in significantly lower birth weights than the birth weights of babies born to single mothers. Family status effects in the 2000s are stronger than they were in the 1980s, and quantile regressions suggest that family effects are more pronounced at the lower quantiles of the birth weight distribution and less pronounced at higher quantiles. We conclude that the life situation of expectant mothers has an important influence on the birth weight of newborns, especially at the lower tail of the birth weight distribution. Copyright © 2013 John Wiley & Sons, Ltd.
LEGAL KNOWLEDGE AND AGILITY IN PUBLIC ADMINISTRATION
Authors: Boer Alexander , Van Engers Tom 
Published: May 2013

SUMMARYTo address agility in public administration, we have developed a knowledge acquisition infrastructure for legal knowledge, based on an implementation‐oriented conceptualization of the legal system. Our objective is to reframe legal knowledge as a knowledge source in a design‐oriented task ontology, building on insights from the CommonKADS methodology for intelligent system design. The main result is to make case law and legal expert knowledge of critical incidents in organizations, two diagnostic knowledge sources underutilized in modern management and engineering, more accessible as a resource for design of agile organizational structures and intelligent systems. Copyright © 2013 John Wiley & Sons, Ltd.
Functional nanofiber mat of polyvinyl alcohol/gelatin containing nanoparticles of biphasic calcium phosphate for bone regeneration in rat calvaria defects
Authors: Ba Linh Nguyen Thuy , Lee Kap‐Ho , Lee Byong‐Taek 
Published: May 2013

AbstractNew biodegradable mats was successfully obtained by functional polyvinyl alcohol (PVA)/Gelatin (GE) blend fiber mats containing different BCP amounts (20, 40, and 50 w/v%) of biphasic calcium phosphate (BCP) nanoparticles for bone regeneration. BCP nanoparticles were loaded and dispersed successfully in the PVA/GE fibrous matrix. The addition of BCP was found to have increased fiber diameter, tensile strength, osteoblast cell adhesion, proliferation, and protein expression. Compared to the others, the 50% BCP‐loaded electrospun PVA/GE fibers had the most favorable mechanical properties, cell attachment and growth, and protein expression. In vivo bone formation was examined using rat models, and increased bone formation was observed for the 50% BCP‐loaded electrospun PVA/GE blends within 2 and 4 weeks. This result suggests that the 50% BCP‐PVA/GE composite nanofiber mat has high potential for use in the field of bone regeneration and tissue engineering. © 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part A, 2013.
Composite hydrogel scaffolds with controlled pore opening via biodegradable hydrogel porogen degradation
Authors: Hawkins Ashley M. , Milbrandt Todd A. , Puleo David A. , Hilt J. Zach 
Published: May 2013

AbstractPoly(β‐amino ester) (PBAE) biodegradable hydrogel systems have garnered much attention in recent years due to their appealing properties for biomedical applications. These hydrogel systems exhibit properties similar to natural soft tissue, degrade in aqueous environments, and have easily tunable properties that have been well studied and understood. In most cases, tissue engineering scaffolds must possess a three‐dimensional interconnected porous network for tissue ingrowth and construct vascularization. Here, PBAE properties were explored and systems were selected to serve as both the pore‐forming agent and the outer matrix of a scaffold that exhibits controlled pore opening upon degradation. To our knowledge, this is the first demonstration of a biodegradable hydrogel porogen system entrapped in a degradable hydrogel outer matrix. Scaffolds were prepared, and the degradation, compressive moduli, and porosity were analyzed. An added advantage of a degradable porogen is the potential for controlled drug release, and a model protein was released from the porogen particles to demonstrate this application. Finally, pluripotent cells seeded onto predegraded scaffolds were viable during the first 24 h of exposure, and furthermore, cell tracking confirmed the presence of cells within the pores of the scaffold. Overall, these present studies demonstrate the possibility of using these biodegradable hydrogel porogen‐matrix systems as tissue engineering scaffolding materials. © 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 102A: 400–412, 2014.
Testing Existing Classifications of Serial Murder Considering Gender: An Exploratory Analysis of Solo Female Serial Murderers
Authors: Farrell Amanda L. , Keppel Robert D. , Titterington Victoria B. 
Published: May 2013

AbstractSerial murder is a genre of crime that has received a great deal of media and academic attention, yet, serial murder committed by women has only begun to garner a portion of this attention within the last 15 years. This study examines the reliability of Kelleher and Kelleher's classification rubric, the only classification system developed for female serial murderers, as well as considering Hickey's classification of serial offenders by location. Other variables associated with homicide research have also been examined to determine their roles in both these crimes and classifying offenders. The current research will demonstrate that offender motivation is not an ideal basis for the classification of female serial murderers, who tend to defy simple or singular classification within existing typologies. The other variables analysed indicate that victim–offender relationship and victim approach are important to understanding these female offenders and their crimes, as well as the possible development of more accurate classification systems. Copyright © 2013 John Wiley & Sons, Ltd.
Potassium requirement in relation to grain yield and genotypic improvement of irrigated lowland rice in China
Authors: Zhang Yi , Zhang Chao‐chun , Yan Peng , Chen Xin‐ping , Yang Jian‐chang , Zhang Fu‐suo , Cui Zhen‐ling 
Published: May 2013

AbstractThe yield of rice (Oryza sativa L.) has increased substantially with the development of new cultivars, but the role of potassium (K) requirement for the increase in grain yield and the genotypic advance is still unclear. In order to investigate this relationship a database of 1199 on‐farm measurements (harvest index 0.4) comprising > 400 modern rice cultivars was collected during 2005–2010 across major irrigated lowland rice–production regions of China. This was used to evaluate the relationships among K requirement, grain yield, and genetic improvement. Across all the sites and seasons, mean reciprocal internal efficiency of K (RIE‐K, kg K [t grain produced]–1) was 19.8 kg K (t grain)–1 and rice yield averaged 8.7 t ha–1. Considering four levels of grain yield (< 7.5, 7.5–9, 9–10.5, and > 10.5 t ha–1), the respective RIEs were 18.7, 19.4, 20.5, and 21.7 kg K (t grain)–1. The gradual increase in the RIE‐K with yield was attributed mainly to the increase in straw and grain K concentration and the decrease in the K harvest index. The RIE‐K values for ordinary inbred, ordinary hybrid, and “super rice” were 18.5, 20.1, and 19.9 kg K (t grain)–1, respectively. Examining the historical development of rice cultivars, the RIE‐K decreased from 40.9 (Nanjing1, early tall, inbred) in the 1950s to 19.8 (IR24, semi‐dwarf, ordinary inbred) in the 1970s, and then increased to 20.9 (Shanyou63, modern ordinary hybrid) in the 1980s and 20.6 kg K (t grain)–1 (II‐you084, “super” rice) in the 2000s. This variation in RIE‐K among grain‐yield levels and cultivars highlights the importance of information on rice K requirement in calculating K balance and optimal K‐fertilizer rate for rice production.
Morphological Heterogeneity by Diffusional Kurtosis NMR Spectroscopy in Perfluorosulfonic Acid/SiO2Composite Proton‐Exchange Membranes
Authors: Demco Dan E. , Filipoi Carmen , Zhu Xiaomin , Fechete Radu , Möller Martin 
Published: May 2013

AbstractDiffusional kurtosis is introduced to characterize the heterogeneity of the channel architecture for ionic transport in proton exchange membranes. Measuring the apparent kurtosis by a pulsed‐field‐gradient NMR spectroscopy technique may yield additional information about membrane morphology not available to the conventional water‐diffusion method. Water diffusional kurtosis and the apparent diffusion coefficient are investigated for perfluorinated sulfonic acid (PFSA)/SiO2nanocomposites. Diffusional kurtosis is anisotropic revealing higher channel heterogeneity in‐plane of solution‐cast films compared with the transverse direction. Diffusional kurtosis is related to the non‐Gaussian character of the averaged diffusion propagator. A universal relationship is proposed for the root‐mean‐squared displacement.magnified image
Error analysis of a fully discrete finite element variational multiscale method for time‐dependent incompressible Navier–Stokes equations
Authors: Shang Yueqiang 
Published: May 2013

AbstractA finite element variational multiscale method based on two local Gauss integrations is applied to solve numerically the time‐dependent incompressible Navier–Stokes equations. A significant feature of the method is that the definition of the stabilization term is derived via two local Guass integrations at element level, making it more efficient than the usual projection‐based variational multiscale methods. It is computationally cheap and gives an accurate approximation to the quantities sought. Based on backward Euler and Crank–Nicolson schemes for temporal discretization, we derive error bounds of the fully discrete solution which are first and second order in time, respectively. Numerical tests are also given to verify the theoretical predictions and demonstrate the effectiveness of the proposed method. © 2013 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2013
Moving collocation method for a reaction‐diffusion equation with a traveling heat source
Authors: Liang Kewei , Zhu Hancan 
Published: May 2013

AbstractWe consider a reaction‐diffusion equation with a traveling heat source on an unbounded domain. The numerical simulation of the problem is difficult because of the moving singularity, the blow‐up phenomenon, and the delta function in the equation. Because we are only interested in the solution behavior near the heat source, we choose a bounded moving domain which contains the heat source and has the same speed as the source. Local absorbing boundary conditions are constructed on the boundaries of the moving domain. Then, we transform the moving domain to a fixed one. At last, a special moving collocation method is adopted. The new method is much simpler than the existing moving finite difference methods. Moreover, numerical experiments illustrate the accuracy and efficiency of our moving collocation method. © 2013 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2013