bluuebunny/crossref_metadata_2025_split huggingface dataset:
Description of the Tautomerism in Some Azonaphthols
Authors: Kawauchi Susumu , Antonov Liudmil 
Published: June 2013

The performance of several functionals (M06‐2X, B97D, ωB97 family and B2PLYPD), accounting long range correlation, was evaluated in respect of the tautomerism of 1‐phenylazo‐4‐naphthol. Three sets of experimental data were used to define the evaluation criteria: reproduction of the bond lengths in the structures of the individual tautomers, description of the non‐planarity of the enol tautomer and prediction of the position of the tautomeric equilibrium (∆G value) at 298 K. The results show that M06‐2X at most of the basis sets reasonably covers all requirements. In most of the cases, the empirical dispersion correction tends to stabilize the keto tautomer independently on the basis set.The obtained results have been used to select M06‐2X, ωB97X and B2PLYP functionals to test their performance for a set of azonaphthols (1‐phenylazo‐4‐napthol, 1‐phenylazo‐2‐naphthol and 2‐phenylazo‐1‐naphthol) where experimental data for the Gibbs free energies at room temperature are available. As a result, it should be pointed out the M06‐2X functional slightly overestimates the enol tautomer, but at 6‐31G**, TZVP and def2TZVP basis sets, the deviation is below 0.5 kcal.mol−1. The same result, but in favor of the keto tautomer, is obtained at B2PLYP/D95++**. Copyright © 2013 John Wiley & Sons, Ltd.
Photoinduced depolymerization of poly(olefin sulfone)s possessing photobase generator side‐chains: Effect of spacer‐chain length
Authors: Sasaki Takeo , Yoneyama Takumi , Hashimoto Shota , Takemura Sumie , Naka Yumiko 
Published: June 2013

ABSTRACTPhotoinduced depolymerization of poly(olefin sulfone)s possessing photobase generators in the side‐chain was investigated. Irradiation with UV light generated base on the side‐chains and induced depolymerization based on proton abstraction on the main‐chain. The effect of the length of the spacer chain, which connects the photobase‐generating moiety to the polymer main chain on the photoinduced depolymerization, also was investigated. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013, 51, 3873–3880
Characteristics and Persistence of Relict High‐Altitude Permafrost on Mahan Mountain, Loess Plateau, China
Authors: Xie Changwei , Gough William A. , Tam Andrew , Zhao Lin , Wu Tonghua 
Published: June 2013

ABSTRACTMahan Mountain is the only region in the Loess Plateau (China) where permafrost persists. The permafrost is typical warm permafrost and remains in a very fragile and sensitive state. Remnants of permafrost (approximately 0.134 km2 in area) remain in a low‐lying swamp where the top 70 cm of soil contains abundant organic material (peat). The lowest temperature of the permafrost was ‐0.2°C between depths of 10 and 16 m, with temperature increasing upwards and downwards along a gradient of ± 0.01°C/m, and the permafrost thickness exceeded 30 m in this region. The distribution and thermal state of permafrost on Mahan Mountain closely relate to the surface conditions and soil type. In this study, the important protective effects of the peat layer and ground ice are illustrated using a one‐dimensional finite difference model of heat flow. The simulation results indicate that active‐layer thickness of permafrost on Mahan Mountain would increase by approximately 83 per cent under current climate conditions without the protection of the peat layer and ground ice. Based on the temperature projections of general circulation models, this study projects that permafrost will likely remain on Mahan Mountain for the next 40 to 50 years. Copyright © 2013 John Wiley & Sons, Ltd.
Recent Progress Regarding Permafrost Coasts
Authors: Lantuit H. , Overduin P. P. , Wetterich S. 
Published: June 2013

ABSTRACTPermafrost coasts make up to 34 per cent of the world's coastlines. Erosion of these coasts currently averages 0.5 m a‐1, which is similar to or greater than rates observed in temperate regions. The erosion rate has risen on the Arctic coast of Alaska during the first decade of the 21st century as the minimum sea ice extent has declined. Increasing erosion leads to higher engineering and relocation costs for coastal villages (US$140 million for Kivalina alone to adapt and eventually relocate), and to greater quantities of organic carbon contained in permafrost being released to the near‐shore zone (up to 46.5 Tg a‐1). Modelling of coastal erosion has begun to include permafrost‐specific components such as block failure. The absence of basic information on Arctic coasts that would be provided by a dedicated observing network, especially on lithified coasts, has hindered the development of a system model with predictive capability. Copyright © 2013 John Wiley & Sons, Ltd.
Evaluation of residue–residue contact prediction in CASP10
Authors: Monastyrskyy Bohdan , D'Andrea Daniel , Fidelis Krzysztof , Tramontano Anna , Kryshtafovych Andriy 
Published: June 2013

ABSTRACTWe present the results of the assessment of the intramolecular residue‐residue contact predictions from 26 prediction groups participating in the 10th round of the CASP experiment. The most recently developed direct coupling analysis methods did not take part in the experiment likely because they require a very deep sequence alignment not available for any of the 114 CASP10 targets. The performance of contact prediction methods was evaluated with the measures used in previous CASPs (i.e., prediction accuracy and the difference between the distribution of the predicted contacts and that of all pairs of residues in the target protein), as well as new measures, such as the Matthews correlation coefficient, the area under the precision‐recall curve and the ranks of the first correctly and incorrectly predicted contact. We also evaluated the ability to detect interdomain contacts and tested whether the difficulty of predicting contacts depends upon the protein length and the depth of the family sequence alignment. The analyses were carried out on the target domains for which structural homologs did not exist or were difficult to identify. The evaluation was performed for all types of contacts (short, medium, and long‐range), with emphasis placed on long‐range contacts, i.e. those involving residues separated by at least 24 residues along the sequence. The assessment suggests that the best CASP10 contact prediction methods perform at approximately the same level, and comparably to those participating in CASP9. Proteins 2014; 82(Suppl 2):138–153. © 2013 Wiley Periodicals, Inc.
Research on the changes in wettability of rice (Oryza sativa.) leaf surfaces at different development stages using the OWRK method
Authors: Zhu Yan‐qiu , Yu Chun‐xin , Li Yu , Zhu Qing‐qing , Zhou Lu , Cao Chong , Yu Ting‐ting , Du Feng‐pei 
Published: June 2013

AbstractBACKGROUNDA good knowledge in wetting behavior of pesticide spray liquid on plant surface is crucial to spray applications. Difference in leaf surface wettability would result in obvious changes in spray wetting behavior. The aim of this paper is to obtain the changes of wettability during different growth periods.RESULTSThe contact angle (CA) of rice leaf for each liquid increased with rice growth. No significant difference was found between cultivars. The CA was found to be correlated with the polar component of liquid surface tension. The square of the polar component was also found to be highly significant indicating that the relationship between these two properties was not a simple linear one. The surface energy of each plant surface decreased as the plants aged. This was also true of each part of the surface energy. However, no obvious difference on the proportion of the components was found among different cultivars and stages.CONCLUSIONSThe changes in value of CA and surface free energy (SFE) both reflect the changes of the leaf surface wettability, while the SFE value shows better in wettability characterizing. Obvious rice leaf wettability changes were found on different development stages, which may be beneficial for researches in agrochemical sprays wetting and spreading behavior. Factors influencing these alterations were discussed. © 2013 Society of Chemical Industry
Light‐induced degradation in indium‐doped silicon
Authors: Möller Christian , Lauer Kevin 
Published: June 2013

AbstractLight‐induced degradation of charge carrier lifetime was observed in indium‐doped silicon. After defect formation, an annealing step at 200 °C for 10 min deactivates the defect and the initial charge carrier lifetime is fully recovered. The observed time range of the defect kinetics is similar to the well known defect kinetics of the light‐induced degradation in boron‐doped samples. Differences between defect formation in boron‐ and indium‐doped silicon are detected and discussed. A new model based on an acceptor self‐interstitial ASi–Sii defect is proposed and established with experimental findings and existing ab‐initio simulations.magnified imageCharge carrier lifetime degradation during light soaking of indium‐doped samples with different oxygen concentrations.(© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Concurrent and Complete Anaerobic Reduction and Microaerophilic Degradation of Mono‐, Di‐, and Trichlorobenzenes
Authors: Burns Matt , Sublette Kerry L. , Sobieraj James , Ogles Dora , Koenigsberg Stephen 
Published: June 2013

AbstractBio‐Trap®–based in situ microcosm studies were conducted to evaluate EHC‐M® stimulated degradation of mono‐, di‐, and trichlorobenzenes in anaerobic groundwater at a site in Michigan. The data show that the EHC‐M® amendment stimulated an overall increase in microbial activity and a shift in the microbial community structure, indicating more reduced conditions. Stable isotope probing with 13C6‐chlorobenzene demonstrated attenuation of chlorobenzene and subsequent separation and characterization of the 12C‐ and 13C‐deoxyribonucleic acid (DNA) fractions were used to identify the attenuating microbes. These data clearly show the participation of an obligate aerobe in the chlorobenzene biodegradation process.Decreases in concentrations of trichlorobenzenes were also observed in comparison to a control. Due to the thermodynamically favorable reducing conditions stimulated by EHC‐M®, the mechanism of degradation of the trichlorobenzenes is presumed to be reductive dehalogenation. However, on the strength of the DNA‐based analysis of microbial community structure, concurrent microaerophilic degradation of chlorobenzene or its metabolites was definitively demonstrated and cannot be ruled out for the other chlorobenzenes. © 2013 Wiley Periodicals, Inc.
Spreadsheet‐Based Design Tool for In Situ Anaerobic Bioremediation Using Soluble Substrate
Authors: Cha Ki Young , Borden Robert C. 
Published: June 2013

AbstractA Microsoft Excel spreadsheet‐based design tool has been developed to assist remediation professionals in the design of injection systems for distributing soluble substrate (SS) to enhance in situ anaerobic bioremediation. The user provides site data, design parameters, and unit‐cost information to generate estimates of remediation‐system cost and steady‐state contact efficiency (CESS) for various designs. CESS is estimated from a nonlinear regression equation that includes terms for the SS injection concentration (CI), minimum substrate concentration (CMIN), groundwater travel time between rows of injection wells (TT), SS half‐life (TH), substrate reinjection time interval (TR), and pore volumes of substrate solution injected (PV). With this tool, users can quickly compare the relative costs and performance of different injection alternatives and identify the best design for their specific site conditions. The design process embodied in the tool includes: (1) entering injection‐well configuration and unit costs for well installation, injection, and substrate; (2) determining treatment‐zone dimension; (3) selecting trial injection‐well spacing, time period between substrate reinjection, and injection pore volume; and (4) estimating contact efficiency and capital and life‐cycle costs. This process is then repeated until a final design is selected. In most cases, injection costs increase with increasing CESS. However, the best (highest) ratio of CESS to injection cost typically occurs for CESS in the range of 70 to 80 percent. © 2013 Wiley Periodicals, Inc.
Discontinuous Nanoporous Membranes Reduce Non‐Specific Fouling for Immunoaffinity Cell Capture
Authors: Mittal Sukant , Wong Ian Y. , Yanik Ahmet Ali , Deen William M. , Toner Mehmet 
Published: June 2013

AbstractThe microfluidic isolation of target cells using adhesion‐based surface capture has been widely explored for biology and medicine. However, high‐throughput processing can be challenging due to interfacial limitations such as transport, reaction, and non‐specific fouling. Here, it is shown that antibody‐functionalized capture surfaces with discontinuous permeability enable efficient target cell capture at high flow rates by decreasing fouling. Experimental characterization and theoretical modeling reveal that “wall effects” affect cell–surface interactions and promote excess surface accumulation. These issues are partially circumvented by reducing the transport and deposition of cells near the channel walls. Optimized microfluidic devices can be operated at higher cell concentrations with significant improvements in throughput.
Error features and their possible causes in simulated low‐level winds by WRF at a wind farm
Authors: Wang Chenghai , Jin Shuanglong 
Published: June 2013

ABSTRACTThe WRF model is applied to simulate the low‐level wind field for a wind farm located in a typical arid region in northwest China for February 2008. The selected region has complex terrain with sparse vegetation. Overall, the WRF model reproduced the variation features of wind speeds and wind directions. However, the model overestimated the observed low‐level wind speeds, and there were large discrepancies for the low wind velocity (i.e. the errors of simulated winds increase with height and will be larger when the observed wind speeds are lower than 2.5 m/s). The features of the simulated errors and the possible causes in the model were analysed. The simulated low‐level wind in the afternoon is more accurate than that in early morning, which is usually unstable. Copyright © 2013 John Wiley & Sons, Ltd.
Variability and uncertainty of wind power in the California electric power system
Authors: Stoutenburg Eric D. , Jenkins Nick , Jacobson Mark Z. 
Published: June 2013

ABSTRACTThe California generation fleet manages the existing variability and uncertainty in the demand for electric power (load). When wind power is added, the dispatchable generators manage the variability and uncertainty of the net load (load minus wind power). The variability and uncertainty of the load and the net load are compared when 8790 MW of wind power are added to the California power system, a level expected when California achieves its 33% renewable portfolio standard, using a data set of 26,296 h of synchronous historic load and modeled historic wind power output. Variability was calculated as the rate of change in power generated by wind farms or consumed by the load from 1 h to the next (MW/h). Uncertainty was calculated as the 1 h ahead forecast error [MW] of the wind power or of the load. The data show that wind power adds no additional variability than is already present in the load variability. However, wind power adds additional uncertainty through increased forecast errors in the net load compared with the load. Forecast errors in the net load increase 18.7% for negative forecast errors (actual less than forecast) and 5.4% for positive forecast errors (actual greater than forecast). The increase in negative forecast errors occurs only during the afternoon hours when negative load forecasts and positive wind forecasts are strongly correlated. Managing the integration of wind power in the California power system should focus on reducing wind power forecast uncertainty for wind ramp ups during the afternoon hours. Copyright © 2013 John Wiley & Sons, Ltd.
Wind energy literature survey no. 29
Authors: Henriksen Lars Christian 
Published: June 2013

ABSTRACTAs a service to readers, Wind Energy regularly conducts literature surveys and publishes lists of relevant articles drawn from recent issues of a large number of periodicals including the following: Journal of Wind Engineering and Industrial Aerodynamics, International Journal of Energy Research, Renewable Energy, Energy Sources, Journal of Solar Energy Engineering, American Institute of Aeronautics and Astronautics Journal and Electric Power Components and Systems along with a number of periodicals published by the Institute of Electrical and Electronics Engineers, etc. The list is limited exclusively to journals not specifically devoted to wind energy and its applications. To assist the reader, the list is separated into broad categories. Although many papers fit several categories, each paper is listed only once under the category thought most appropriate. Please note that the inclusion in the list is not an endorsement of a paper's quality. Please e‐mail any suggestions to corresponding author. Copyright © 2013 John Wiley & Sons, Ltd.
Synthesis, Characterization, and Binding to the Translocator Protein (18 kDa, TSPO) of a New Rhenium Complex as a Model of Radiopharmaceutical Agents
Authors: Piccinonna Sara , Denora Nunzio , Margiotta Nicola , Laquintana Valentino , Trapani Giuseppe , Natile Giovanni 
Published: June 2013

AbstractA new tridentate 2‐phenyl‐imidazopyridin‐dipropylacetamide ligand (CB239‐H) with high (nanomolar) affinity for the TSPO protein was synthesized and its coordination compound with rhenium tricarbonyl, fac‐[Re(CO)3(CB239‐N,N,O)] was investigated. The procedure established for the synthesis of the 187/185Re complex can be also used for the synthesis of 99mTc and 188/186Re analogues, which find application in SPECT diagnosis and in therapy. Because of the tridentate coordination of CB239‐H and the kinetic inertness of the carbonyl ligands, the new complex was expected to exhibit low reactivity towards plasma proteins and hence greater resistance to deactivation. Being TSPO overexpressed in numerous types of cancers and in activated microglial cells occurring in inflammatory neurodegenerative diseases, TSPO ligands can be exploited as carriers for receptor‐mediated drug targeting and hence can be used in diagnosis as well as in therapy. Very suprisingly, fac‐[Re(CO)3(CB239‐N,N,O)] resulted to be not very stable in diluted human serum but maintained a good affinity towards TSPO.
Use of opposite frictional forces by animals to increase their attachment reliability during movement
Authors: Wang Zhouyi , Song Yi , Dai Zhendong 
Published: June 2013

Abstract
Many animals have the natural ability to move on various surfaces, such as those having different roughness and slope substrates, or even vertical walls and ceilings. Legged animals primarily attach to surfaces using claws, soft and hairy pads, or combinations of them. Recent studies have indicated that the frictional forces generated by these structures not only control the movement of animals but also significantly increase the reliability of their attachment. Moreover, the frictional forces of various animals have opposite characteristics and hierarchical properties from toe-to-toe and leg-to-leg. These opposite frictional forces allow animals to attach securely and stably during movement. The coordination of several attachment (adhesion) modes not only helps animals adhere, which would be impossible in single mode, but also increases the overall stability of the attachment (adhesion) system. These findings can help the design of highly adaptable feet for bionic robots in the near future.
Community Support as a Moderator of Postdisaster Mental Health Symptoms in Urban and Nonurban Communities
Authors: West Jenny S. , Price Matthew , Gros Kirstin Stauffacher , Ruggiero Kenneth J. 
Published: June 2013

AbstractObjectiveWe examined the association between disaster exposure, community support, and mental health outcomes in urban and nonurban participants of Galveston and Chambers counties after Hurricane Ike. The moderating effect of community support was evaluated as a protective factor relative to postdisaster mental health.MethodsA representative population-based sample of 157 urban and 714 nonurban adults were interviewed 12 to 17 months after the hurricane about their mental health functioning, disaster exposure, and perceptions of community support.ResultsA series of multiple regressions demonstrated that disaster exposure was associated with mental health outcomes for both groups. The strength of the association varied across population samples.Community support moderated the association between interpersonal effects of the disaster and posttraumatic stress disorder (PTSD) and depression outcomes in nonurban participants and the association between property damage and PTSD in urban participants.ConclusionsCommunity support played a larger role in reducing PTSD and depression symptoms associated with the interpersonal effects of a disaster in the nonurban sample only. Communities may play a more beneficial role in the recovery process in nonurban areas that have elevated levels of injury or death attributed to a disaster. (Disaster Med Public Health Preparedness. 2013;0:1–9)
Second-mode attenuation and cancellation by porous coatings in a high-speed boundary layer
Authors: Brès Guillaume A. , Inkman Matthew , Colonius Tim , Fedorov Alexander V. 
Published: June 2013

AbstractNumerical simulations of the linear and nonlinear two-dimensional Navier–Stokes equations, and linear stability theory are used to parametrically investigate hypersonic boundary layers over ultrasonic absorptive coatings. The porous coatings consist of a uniform array of rectangular pores (slots) with a range of porosities and pore aspect ratios. For the numerical simulations, temporally (rather than spatially) evolving boundary layers are considered and we provide evidence that this approximation is appropriate for slowly growing second-mode instabilities. We consider coatings operating in the typical regime where the pores are relatively deep and acoustic waves and second-mode instabilities are attenuated by viscous effects inside the pores, as well as regimes with phase cancellation or reinforcement associated with reflection of acoustic waves from the bottom of the pores. These conditions are defined as attenuative and cancellation/reinforcement regimes, respectively. The focus of the present study is on the cases which have not been systematically studied in the past, namely the reinforcement regime (which represents a worst-case scenario, i.e. minimal second-mode damping) and the cancellation regime (which corresponds to the configuration with the most potential improvement). For all but one of the cases considered, the linear simulations show good agreement with the results of linear instability theory that employs an approximate porous-wall boundary condition, and confirm that the porous coating stabilizing performance is directly related to their acoustic scattering performance. A particular case with relatively shallow pores and very high porosity showed the existence of a shorter-wavelength instability that was not initially predicted by theory. Our analysis shows that this new mode is associated with acoustic resonances in the pores and can be more unstable than the second mode. Modifications to the theoretical model are suggested to account for the new mode and to provide estimates of the porous coating parameters that avoid this detrimental instability. Finally, nonlinear simulations confirm the conclusions of the linear analysis; in particular, we did not observe any tripping of the boundary layer by small-scale disturbances associated with individual pores.