bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optimizing water resources management in large river basins with integrated surface water‐groundwater modeling: A surrogate‐based approach
Authors: Wu Bin , Zheng Yi , Wu Xin , Tian Yong , Han Feng , Liu Jie , Zheng Chunmiao 
Published: March 2015

AbstractIntegrated surface water‐groundwater modeling can provide a comprehensive and coherent understanding on basin‐scale water cycle, but its high computational cost has impeded its application in real‐world management. This study developed a new surrogate‐based approach, SOIM (Surrogate‐based Optimization for Integrated surface water‐groundwater Modeling), to incorporate the integrated modeling into water management optimization. Its applicability and advantages were evaluated and validated through an optimization research on the conjunctive use of surface water (SW) and groundwater (GW) for irrigation in a semiarid region in northwest China. GSFLOW, an integrated SW‐GW model developed by USGS, was employed. The study results show that, due to the strong and complicated SW‐GW interactions, basin‐scale water saving could be achieved by spatially optimizing the ratios of groundwater use in different irrigation districts. The water‐saving potential essentially stems from the reduction of nonbeneficial evapotranspiration from the aqueduct system and shallow groundwater, and its magnitude largely depends on both water management schemes and hydrological conditions. Important implications for water resources management in general include: first, environmental flow regulation needs to take into account interannual variation of hydrological conditions, as well as spatial complexity of SW‐GW interactions; and second, to resolve water use conflicts between upper stream and lower stream, a system approach is highly desired to reflect ecological, economic, and social concerns in water management decisions. Overall, this study highlights that surrogate‐based approaches like SOIM represent a promising solution to filling the gap between complex environmental modeling and real‐world management decision‐making.
Height and time characteristics of seasonal and diurnal variations in PMWE based on 1 year observations by the PANSY radar (69.0°S, 39.6°E)
Authors: Nishiyama Takanori , Sato Kaoru , Nakamura Takuji , Tsutsumi Masaki , Sato Toru , Kohma Masashi , Nishimura Koji , Tomikawa Yoshihiro , Ejiri Mitsumu K. , Tsuda Takuo T. 
Published: March 2015

AbstractWe report height and time variations in polar mesosphere winter echoes (PMWE) based on the Program of the Antarctic Syowa mesosphere‐stratosphere‐troposphere/incoherent scatter (PANSY) radar observations. PMWE were identified for 110 days from March to September 2013. PMWE occurrence frequency increased abruptly in May when two solar proton events occurred. PMWE were also observed even during periods without any solar proton events, suggesting that a possible cause of the PMWE is ionization by energetic electron precipitations. The monthly mean PMWE characteristics showed that occurrence of PMWE were mainly restricted to sunlit time. This fact indicates that electrons detached from negatively charged particles play an important role. While PMWE below 72 km in altitude completely disappeared before sunset, it was detected above that altitude for a few hours even after sunset. This height dependence in the altitude range of 60–80 km can be explained qualitatively by empirical effective recombination rates.
Stereochemistry and Conformation of Organogermanium, Organotin and Organolead Compounds
Authors: Marshall James A. , Jablonowski Jill A. 
Published: March 2015

Abstract

Introduction

Chiral Organometallics of Type
R
1
R
2
R
3
R
4
M

Germacyclopentanes and Cyclohexanes

Organometallics of Type
R
*
MR
3

Propargyl/Allenyl Systems
Thermochemistry of Organolithium Compounds
Authors: Slayden Suzanne W. , Liebman Joel F. 
Published: March 2015

Abstract

Introduction: Scope and Definitions

Isomeric and Homologous Alkyl Lithium Series

Comparison of Organolithiums and Grignard Reagents

Protodelithiation Reactions

Aryl Halogen–Lithium Exchange Reactions

Oxygenated Organolithiums: Intramolecular Complexation and Enthalpies of Formation

Perlithiocarbons and Lithiated Aromatic Anions

Acknowledgment
Theoretical and Computational Aspects of Organotellurium Compounds
Authors: Longo Ricardo L. , Menezes Paulo H. 
Published: March 2015

AbstractComputational methods applied to organotellurium compounds are reviewed and some new systematic studies are provided for completeness. From the reviewed works, only those which have connections and/or insights into experimental data and observations are thoroughly considered. It is hoped that no expertise on computational quantum chemical methods will be needed, but a brief survey of computational methods and a list of acronyms are provided. Despite being applied to organotellurium compounds only in recent years, quantum chemical methods provide relevant information for comprehending, rationalizing and guiding experimental results and observations. However, there are further studies to be performed to ascertain the predictive features of these methods.
Improving qPCR telomere length assays: Controlling for well position effects increases statistical power
Authors: Eisenberg Dan T.A. , Kuzawa Christopher W. , Hayes M. Geoffrey 
Published: March 2015

ABSTRACTObjectivesTelomere length (TL) is commonly measured using quantitative PCR (qPCR). Although, easier than the southern blot of terminal restriction fragments (TRF) TL measurement method, one drawback of qPCR is that it introduces greater measurement error and thus reduces the statistical power of analyses. To address a potential source of measurement error, we consider the effect of well position on qPCR TL measurements.MethodsqPCR TL data from 3,638 people run on a Bio‐Rad iCycler iQ are reanalyzed here. To evaluate measurement validity, correspondence with TRF, age, and between mother and offspring are examined.ResultsFirst, we present evidence for systematic variation in qPCR TL measurements in relation to thermocycler well position. Controlling for these well‐position effects consistently improves measurement validity and yields estimated improvements in statistical power equivalent to increasing sample sizes by 16%. We additionally evaluated the linearity of the relationships between telomere and single copy gene control amplicons and between qPCR and TRF measures. We find that, unlike some previous reports, our data exhibit linear relationships. We introduce the standard error in percent, a superior method for quantifying measurement error as compared to the commonly used coefficient of variation. Using this measure, we find that excluding samples with high measurement error does not improve measurement validity in our study.ConclusionsFuture studies using block‐based thermocyclers should consider well position effects. Since additional information can be gleaned from well position corrections, rerunning analyses of previous results with well position correction could serve as an independent test of the validity of these results. Am. J. Hum. Biol. 27:570–575, 2015. © 2015 Wiley Periodicals, Inc.
Utilization of inverse approach in the design of materials over nano‐ to macro‐scale
Authors: Mlinar Vladan 
Published: March 2015

In the light of recent developments in computer technology, a promising and efficient way to design a material with a desired property would be to solve the inverse problem: use a physical property to predict structure. Here, we discuss the basic idea and mathematical foundation of the inverse approach, and proposed strategies for its utilization in the design of materials over nano‐ to macro‐scales. At the nano‐scale, analyzed strategies include scanning of a high‐dimensional space of chemical compounds for those compounds that have a targeted property, and identification of correlations in large databases of materials. However, unlike utilization of inverse approach at nano‐scale where full structural information ‐ atoms and their positions‐ is linked to targeted properties, at the meso‐ and macro‐scale, only partial structural information, manifested via structural motifs or representative volume elements, is available. We discuss the role of partial structural information in the inverse approach to the design of materials at those scales. Risks and limitations of the inverse approach are analyzed and dependence of the approach on factors such as structure parametrization, approximations in theoretical models, and feedback from structural characterization, is addressed.
image
Direct Measurement of the Isomerization Barrier of the Isolated Retinal Chromophore
Authors: Dilger Jonathan , Musbat Lihi , Sheves Mordechai , Bochenkova Anastasia V. , Clemmer David E. , Toker Yoni 
Published: March 2015

AbstractIsomerizations of the retinal chromophore were investigated using the IMS‐IMS technique. Four different structural features of the chromophore were observed, isolated, excited collisionally, and the resulting isomer and fragment distributions were measured. By establishing the threshold activation voltages for isomerization for each of the reaction pathways, and by measuring the threshold activation voltage for fragmentation, the relative energies of the isomers as well as the energy barriers for isomerization were determined. The energy barrier for a single cis–trans isomerization is (0.64±0.05) eV, which is significantly lower than that observed for the reaction within opsin proteins.
Ruthenium‐Catalyzed CC Coupling of Fluorinated Alcohols with Allenes: Dehydrogenation at the Energetic Limit of β‐Hydride Elimination
Authors: Sam Brannon , Luong Tom , Krische Michael J. 
Published: March 2015

AbstractRuthenium(II) complexes catalyze the CC coupling of 1,1‐disubstituted allenes and fluorinated alcohols to form homoallylic alcohols bearing all‐carbon quaternary centers with good to complete levels of diastereoselectivity. Whereas fluorinated alcohols are relatively abundant and tractable, the corresponding aldehydes are often not commercially available because of their instability.
Platinum Multicubes Prepared by Ni2+‐Mediated Shape Evolution Exhibit High Electrocatalytic Activity for Oxygen Reduction
Authors: Ma Liang , Wang Chengming , Xia Bao Yu , Mao Keke , He Jiawei , Wu Xiaojun , Xiong Yujie , Lou Xiong Wen (David) 
Published: March 2015

AbstractPt(100) facets are generally considered less active for the oxygen reduction reaction (ORR). Reported herein is a unique Pt‐branched structure, a multicube, whose surface is mostly enclosed by {100} facets but contains high‐index facets at the small junction area between the adjacent cubic components. The synthesis is accomplished by a Ni2+‐mediated facet evolution from high‐index {311} to {100} facets on the frameworks of multipods. Despite the high {100} facet coverage, the Pt multicubes exhibit impressive ORR activity in terms of half‐wave potential and current density nearly to the level of the most active Pt‐based catalysts, while the durability of catalysts is well retained. The facet evolution creates a set of samples with tunable ratios of high‐index to low‐index facets. The results reveal that the excellent ORR performance of Pt multicubes is a combined result of active sites by high‐index facets and low resistance by flat surface. It is anticipated that this work will offer a new approach to facet‐controlled synthesis and ORR catalysts design.
Efficient Asymmetric Synthesis of Structurally Diverse P‐Stereogenic Phosphinamides for Catalyst Design
Authors: Han Zhengxu S. , Zhang Li , Xu Yibo , Sieber Joshua D. , Marsini Maurice A. , Li Zhibin , Reeves Jonathan T. , Fandrick Keith R. , Patel Nitinchandra D. , Desrosiers Jean‐Nicolas , Qu Bo , Chen Anji , Rudzinski DiAndra M. , Samankumara Lalith P. , Ma Shengli , Grinberg Nelu , Roschangar Frank , Yee Nathan K. , Wang Guijun , Song Jinhua J. , Senanayake Chris H. 
Published: March 2015

AbstractThe use of chiral phosphinamides is relatively unexplored because of the lack of a general method for the synthesis. Reported herein is the development of a general, efficient, and highly enantioselective method for the synthesis of structurally diverse P‐stereogenic phosphinamides. The method relies on nucleophilic substitution of a chiral phosphinate derived from the versatile chiral phosphinyl transfer agent 1,3,2‐benzoxazaphosphinine‐2‐oxide. These chiral phosphinamides were utilized for the first synthesis of readily tunable P‐stereogenic Lewis base organocatalysts, which were used successfully for highly enantioselective catalysis.
Light curve solutions of the ultrashort‐period Kepler binaries
Authors: Kjurkchieva D. , Dimitrov D. 
Published: March 2015

AbstractWe carried out light‐curve solutions of the ultrashort‐period binaries with MS components observed by Kepler. All six targets turned out almost in thermal contact with contact or slightly overcontact configurations. Two of them, KID 4921906 and KID 6309193, are not eclipsing but reveal ellipsoidal and spot variability. One of the components of KID 8108785 exhibits inherent, quasi‐sinusoidal, small‐amplitude variability. KID 12055255 turned out tobe a very rare case of ultrashort‐period overcontact binary consisting of two M dwarfs. Our modeling indicated that the variability of KID 9532219 is due to eclipses but not to δ Sct pulsations as it was previously supposed. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Neue baubetriebswirtschaftliche Verfahren zur Ermittlung der Höhe der AGK bei Mehrvergütungsansprüchen nach § 2 Abs. 5 und 6 sowie § 6 Abs. 6 VOB/B – Teil 1
Authors: Čadež Ivan 
Published: March 2015

AbstractInsbesondere bei Behinderungsansprüchen nach der VOB/B gibt es in der Fachliteratur bezüglich der Berücksichtigung der Höhe der Allgemeinen Geschäftskosten (AGK) keine einheitliche Meinungsbildung; ein wesentlicher Grund hierfür ist, dass komplexe juristische, kostentheoretische und baubetriebswirtschaftliche Anforderungen zu berücksichtigen sind.Nachdem die baubetriebswirtschaftlichen und rechtlichen Rahmenbedingungen für einen neuen Lösungsansatz bereits in [1, 2] beschrieben wurden, wird nun in diesem Beitrag dargestellt, wie diese Erkenntnisse in zwei neue ganzheitliche baubetriebswirtschaftliche Verfahren zur Ermittlung der Höhe der AGK bei Mehrvergütungsansprüchen – das Herstellkosten/Zeiteinheit‐Verfahren (Verhältnis‐Verfahren) und das Kapazitätsauslastungs‐Verfahren – überführt werden können.Ergebnis dieser Betrachtung ist, dass AGK entgegen der bisherigen Praxis bei Mehrvergütungsansprüchen ohne zusätzlichen Bauzeitanspruch nach § 2 Abs. 5 oder 6 VOB/B nicht mehr vergütet werden sollten. Dagegen werden, vereinfachend betrachtet, die AGK bei Mehrvergütungsansprüchen mit zusätzlichem Bauzeitanspruch nach § 6 Abs. 6 VOB/B im Ergebnis über das Verhältnis des zusätzlichen vertraglichen Bauzeitanspruchs zur vertraglichen Soll‐Bauzeit – unter Beachtung von Korrekturfaktoren – berücksichtigt.New estimation methods for the determination of general costs at claim requests according to § 2 clause 5 and 6 as well as § 6 clause 6 VOB/BParticularly in claim disputes concerning delay in construction time caused by the client based on the V0B/B there is no consistent opinion concerning the consideration of the appropriate amount of general costs in the claims; mainly because this issue is quite complex with legal, cost theoretical and construction business management characteristics to be considered.After explaining the essential construction business management characteristics as well as the main legal and construction management principles in [1, 2], in this paper two new methods of estimating general costs in claim requests will be presented – the manufacturing costs/construction time method and the capacity utilization method. In a successive second paper both new methods will be validated and compared with two main, already in the practice existing methods concerning the cost evaluation of general costs.As result and in contradiction to the current practice general costs should not be considered in claims without additional construction time entitlement according to § 2 clause 5 and 6 VOB/B. In contrast, additional construction time entitlement according to § 6 clause 6 VOB/B should lead further to general costs, which depend on the relation of the additional contractual construction time to the original construction time under consideration of a correction factor.
Anwendung des Herstellkosten/Bauzeit‐ und Kapazitätsauslastungs‐Verfahrens bei der Ermittlung von AGK‐Mehrvergütungsansprüchen nach VOB/B – Teil 2
Authors: Čadež Ivan 
Published: March 2015

AbstractAufbauend auf baubetriebswirtschaftlichen Grundlagen wurden im ersten Teil dieses Beitrages zwei neue Verfahren – das Herstellkosten/Bauzeit‐ und Kapazitätsauslastungs‐Verfahren – zur Ermittlung der Höhe der AGK bei Mehrvergütungsansprüchen nach § 2 Abs. 5 und 6 sowie § 6 Abs. 6 VOB/B vorgestellt. Weiterhin wurde für die beiden bereits existierenden Bauleistungs‐ und Bauzeit‐Ansätze eine baubetriebswirtschaftliche Analyse durchgeführt. Darüber hinaus wurden für die beiden neuen Verfahren zur Ermittlung der AGK‐Mehrvergütungsansprüche mit und ohne zusätzlichen Bauzeitanspruch neue Berechnungsmethoden entwickelt [1], die in diesem Beitrag anhand von typischen, jedoch vereinfachten Zahlenbeispielen verifiziert und mit den beiden bestehenden Ansätzen verglichen werden.Im Ergebnis bestätigt sich dabei, dass sowohl das Herstellkosten/Bauzeit‐ als auch das Kapazitätsauslastungs‐Verfahren aus baubetriebswirtschaftlicher Sicht in allen Fällen schlüssige und konsequente Resultate liefern und daher einen wichtigen Beitrag zur Lösung der AGK‐Problematik bei Mehrvergütungsansprüchen leisten können.Application of the manufacturing costs/construction time‐method and the capacity utilization‐method for the determination of general costs at claim requests according to VOB/BBased on construction business management characteristics there were two new methods – the manufacturing costs/construction time and the capacity utilization method – for the determination of general costs at claim requests according to § 2 clause 5 and 6 as well as § 6 clause 6 VOB/B introduced. Furthermore two already in the jurisdiction considered methods – the construction work related and the construction time related method – were analyzed.Both newly developed methods will be validated on the basis of four typical construction claim cases and compared with the two already in the jurisdiction considered methods – the construction work related and the construction time related method – concerning the determination of general costs at claim requests.As result it is confirmed that the manufacturing costs/construction time and the capacity utilization method deliver – from construction business management characteristics point of view – conclusive and consequent results, which may provide a significant contribution to the solution of the determination of the correct amount of general costs at claim requests.
Risk‐Taking Tendencies in Prisoners and Nonprisoners: Does Gender Matter?
Authors: Wichary Szymon , Pachur Thorsten , Li Mengduo 
Published: March 2015

AbstractSeveral investigations have found that prisoners are more likely than nonprisoners to engage in risky behavior, which may contribute to their propensity to commit criminal offenses. However, this research has been limited by an almost exclusive focus on male samples. Given the established link between risk taking and gender, it is thus unclear how findings on the risk‐taking propensities of prisoners also hold in women. The present study uses both a self‐report questionnaire (Domain‐Specific Risk Taking scale, DOSPERT) and a behavioral task (Balloon Analogue Risk Task, BART) to investigate risk‐taking tendencies in a Chinese prisoner group and a nonprisoner control group with balanced gender proportions. Across both genders, prisoners both indicated a higher risk‐taking tendency on the DOSPERT and showed more risk‐taking behavior on the BART than did nonprisoners. Importantly, the differences were considerably more pronounced in women than in men. Relative to nonprisoners, gender differences in risk taking were substantially smaller, or even reversed, in prisoners. Computational modeling of respondents' behavior in the BART revealed that the prisoners had higher reward sensitivity and lower response consistency than the nonprisoners; these differences were again more pronounced among women. Our results suggest that previous studies based primarily on male prisoners may have underestimated differences in risk taking between prisoners and nonprisoners, and that female prisoners may represent an even more extreme subpopulation than male prisoners. Copyright © 2015 John Wiley & Sons, Ltd.
Switching to second‐generation tyrosine kinase inhibitor improves the response and outcome of frontline imatinib‐treated patients with chronic myeloid leukemia with more than 10% of BCR‐ABL/ABL ratio at 3 months
Authors: Casado Luis‐Felipe , García‐Gutiérrez José‐Valentín , Massagué Isabel , Giraldo Pilar , Pérez‐Encinas Manuel , de Paz Raquel , Martínez‐López Joaquín , Bautista Guiomar , Osorio Santiago , Requena María‐José , Palomera Luis , Peñarrubia María‐Jesús , Calle Carmen , Hernández‐Rivas José‐Ángel , Burgaleta Carmen , Maestro Begoña , García‐Ormeña Nuria , Steegmann Juan‐Luis 
Published: March 2015

AbstractChronic myeloid leukemia patients display heterogeneous responses to imatinib. Survival depends on baseline clinical characteristics (including prognostic scoring systems) and on early response (such as >10% BCR‐ABL/ABL ratio at 3 months of therapy). The results of switching to second‐generation tyrosine kinase inhibitors (2GTKIs) may contain a bias since, in the majority of these studies, patients who switch treatment due to intolerance or failure are censored or excluded. We analyzed the Spanish Registry data on switching in an intention‐to‐treat analysis of patients in standard clinical practice. Switching to 2GTKIs improves responses from 45% to 75% of complete cytogenetic response (CCyR) and from 15% to 45% of major molecular response (MMR) in the group without molecular response 1 (MR1) at 3 months and from 70% to 87% in CCyR and from 52% to 87% in MMR in the group with MR1. The final response rate is poorer in the group with no MR1 at 3 months. Nevertheless, the differences in the rates of response were not translated into differences in major events (transformations or deaths), and the final progression‐free survival and overall survival were similar.
Characteristics of female mentally disordered offenders culpable under the new legislation in Japan: A gender comparison study
Authors: Nagata Takako , Nakagawa Atsuo , Matsumoto Satoko , Shiina Akihiro , Iyo Masaomi , Hirabayashi Naotsugu , Igarashi Yoshito 
Published: March 2015

AbstractBackgroundAlthough a substantial increase in the number of female offenders has drawn interest towards understanding their unique characteristics, few studies have investigated the characteristics of female mentally disordered offenders in Japan and none since the legislation enacted in 2005 in Japan, which provided for special services for them.AimsThe aim of this study is to identify those characteristics of people detained under this legislation, which distinguish the women from the men and may indicate special needs among the women.MethodsA retrospective records‐based study of all patients admitted to one secure unit in the 8 years since its opening in July 2005 until a census date of 31 October 2013.ResultsThirty‐six (15%) of the patients were women. Marriage, mood disorders, past suicide attempts and homicide were more common among the women than the men. Six of the female offender‐patients had committed filicides, of which four were infanticides.ConclusionThere appears to be a particularly vulnerable sub‐group of women with severe mood disorders, a history of serious suicide attempts and young children at risk of harming those children. Our sample was small and from a single unit so, given the potential importance of improving understanding of who is at risk in such circumstances, extending our study nationally seems indicated. Copyright © 2015 John Wiley & Sons, Ltd.