bluuebunny/crossref_metadata_2025_split huggingface dataset:
CO2 outgassing from the Yellow River network and its implications for riverine carbon cycle
Authors: Ran Lishan , Lu Xi Xi , Yang Huan , Li Lingyu , Yu Ruihong , Sun Huiguo , Han Jingtai 
Published: June 2015

AbstractCO2 outgassing across water‐air interface is an important, but poorly quantified, component of riverine carbon cycle, largely because the data needed for flux calculations are spatially and temporally sparse. Based on compiled data sets measured throughout the Yellow River watershed and chamber measurements on the main stem, this study investigates CO2 evasion and assesses its implications for riverine carbon cycle. Fluxes of CO2 evasion present significant spatial and seasonal variations. High effluxes are estimated in regions with intense rock weathering or severe soil erosion that mobilizes organic carbon into the river network. By integrating seasonal changes of water surface area and gas transfer velocity (k), the CO2 efflux is estimated at 7.9 ± 1.2 Tg C yr−1 with a mean k of 42.1 ± 16.9 cm h−1. Unlike in lake and estuarine environments where wind is the main generator of turbulence, k is more correlated with flow velocity changes. CO2 evasion in the Yellow River network constitutes an important pathway in its riverine carbon cycling. Analyzing the watershed‐scale carbon budget indicates that 35% of the carbon exported into the Yellow River network from land is degassed during fluvial transport. The CO2 efflux is comparable to the carbon burial rate, while both larger than the fluvial export to the ocean. Comparing CO2 evasion with ecosystem productivity in the Yellow River watershed shows that its ecosystem carbon sink has previously been overestimated by >50%. Present efflux estimates are associated with uncertainty, and future work is needed to mechanistically understand CO2 evasion from the highly turbid waters.
Optical Coatings and Films
Authors: Macleod Angus 
Published: June 2015

AbstractOptical coatings are largely treatments with a primary role of modifying in a desired way the optical properties of surfaces, but increasingly they are also taking more prominent leading roles where they form the basis of an application. The original article covered the basic principles and a wide range of typical specifications, and is still up to date. However, there are some more specialized, or less common, coatings that are exciting increasing current interest. Admittance loci help with understanding many of these. Moth‐eye antireflection coatings, structured to present graded properties, are becoming more important, especially in difficult materials. Coatings that exhibit surface plasmon resonances are increasingly employed as sensitive sensors. Distributed Bragg reflectors and one‐dimensional photonic crystals are essentially alternative terms used primarily for reflecting multilayers. Gain in optical coatings has been the subject of a number of studies, and admittance loci help explain the effects. Coherent perfect absorbers incorporate absorbing films and frequently take the form of switches that can be activated by light of the correct phase and wavelength. Metamaterials are materials deliberately structured to present properties beyond those found in nature. They might find some application in optical coatings.
Label‐free Linear and Nonlinear Spectroscopic Imaging in Biology and Medicine
Authors: Cicchi Riccardo , Pavone Francesco Saverio 
Published: June 2015

AbstractModern optical and spectroscopic methods offer several label‐free microscopic modalities for improving diagnostic performances on several biological samples, including cells, tissue slices, and fresh biopsies. The relatively recent implementation of multiple linear and nonlinear microspectroscopic techniques in a multimodal approach provides complementary information on the sample under investigation and offers the possibility for integrating morphological with functional‐chemical information in a label‐free manner. In particular, the multimodal approach is crucial for obtaining a morphochemical quantitative analysis of cell cultures and tissue specimens, providing a high‐resolution label‐free support to standard cytological, histological, and immunohistochemical methods. Optical and biophysical researchers successfully have been employing these microspectroscopic techniques for more than a decade, making them increasingly popular among biologists and medical doctors. The label‐free approach also offers the potential for extending the applicability of the methods fromex vivosamples toin vivoexamination on both animal models and human subjects, providing new powerful diagnostic tools that could be employed in a clinical setting in the near future.
Fluorescence Imaging for Biomedical Analysis
Authors: Fixler Dror 
Published: June 2015

AbstractFluorescence imaging techniques became powerful tools for inquisitive biologists and medical doctors. During the past decade, the description of new imaging modalities such as fluorescence life‐time, confocal, fluorescence anisotropy, and two‐photon microscopy has triggered an explosion in fluorescence imaging for biomedical analysis techniques. This article describes the basic principle of fluorescence imaging techniques and elaborates about their biomedical analysis applications
A Metal‐Free Approach Toward Saturated N‐Propargyl Heterocycles via an Annulation/Decarboxylative Coupling Sequence
Authors: Feng Huangdi , Jia Huihui , Sun Zhihua 
Published: June 2015

AbstractA three‐component reaction of a 1,2‐amino alcohol or 1,3‐amino alcohol with a formaldehyde solution and a propiolic acid was developed and studied. This new strategy provided an efficient access to biologically and synthetically important N‐propargyl oxazolidines, 1,3‐oxazinanes and thiazolidine bearing a diverse range of substituents in good yields. The transformation involves a cascade process that begins with an annulation and is followed by the metal‐free decarboxylative coupling.magnified image
Are human hands and feet affected by climate? A test of Allen's rule
Authors: Betti Lia , Lycett Stephen J. , von Cramon‐Taubadel Noreen , Pearson Osbjorn M. 
Published: June 2015

ABSTRACTObjectivesIn recent years, several studies have shown that populations from cold, high‐latitude regions tend to have relatively shorter limbs than populations from tropical regions, with most of the difference due to the relative length of the zeugopods (i.e., radius, ulna, tibia, fibula). This pattern has been explained either as the consequence of long‐term climatic selection or of phenotypic plasticity, with temperature having a direct effect on bone growth during development. The aims of this study were to test whether this pattern of intra‐limb proportions extended to the bones of the hands and feet, and to determine whether the pattern remained significant after taking into account the effects of neutral evolutionary processes related to population history.Materials and MethodsMeasurements of the limb bones, including the first metatarsal and metacarpal, were collected for 393 individuals from 10 globally distributed human populations. The relationship between intra‐limb indices and minimum temperature was tested using generalized least squares regression, correcting for spatial autocorrelation.ResultsThe results confirmed previous observations of a temperature‐related gradient in intra‐limb proportions, even accounting for population history. This pattern extends to the hands, with populations from cold regions displaying a relatively shorter and stockier first metacarpal; however, the first metatarsal appears to be wider but not shorter in cold‐adapted populations.DiscussionThe results suggest that climatic adaptation played a role in shaping variation in limb proportions between human populations. The different patterns shown by the hands and feet might be due to the presence of evolutionary constraints on the foot to maintain efficient bipedal locomotion. Am J Phys Anthropol 158:132–140, 2015. © 2015 Wiley Periodicals, Inc.
Strukturbasierte Entwicklung von Protein‐Protein‐Interaktionsinhibitoren: Stabilisierung und Nachahmung von Peptidliganden
Authors: Pelay‐Gimeno Marta , Glas Adrian , Koch Oliver , Grossmann Tom N. 
Published: June 2015

AbstractProtein‐Protein‐Interaktionen (PPIs) spielen auf allen Ebenen der Zellorganisation eine wichtige Rolle, was die Entwicklung von PPI‐Inhibitoren äußerst interessant macht. Die Herstellung von selektiven Inhibitoren ist wegen der relativ flachen und ausgedehnten Protein‐Protein‐Interaktionsflächen oftmals sehr aufwendig. Derartige Inhibitoren können beispielsweise durch das Nachahmen von Peptidliganden in deren bioaktiver Konformation generiert werden. Für die Entwicklung so genannter Peptidmimetika steht eine Reihe von Ansätzen zur Verfügung, die eine Ausrichtung der Seitenkettenfunktionalitäten in Analogie zu einer bestimmten Peptidsekundärstruktur ermöglichen. In diesem Aufsatz führen wir eine neue Klassifizierung von Peptidmimetika (Klasse A–D) ein, die eine klare Zuordnung der bestehenden Strategien erlaubt. Basierend auf dieser Klassifizierung werden Strategien erörtert, die bereits für ein strukturbasiertes Design von PPI‐Inhibitoren durch Stabilisierung oder Nachahmung von Kehren, β‐Faltblattstrukturen und Helices angewendet wurden.
Strukturaufklärung und Aktivität des aus einer riesigen nicht‐ ribosomalen Peptidsynthetase stammenden D‐/L‐Pentadecapeptids Kolossin A
Authors: Bode Helge B. , Brachmann Alexander O. , Jadhav Kirtikumar B. , Seyfarth Lydia , Dauth Christina , Fuchs Sebastian W. , Kaiser Marcel , Waterfield Nick R. , Sack Holger , Heinemann Stefan H. , Arndt Hans‐Dieter 
Published: June 2015

AbstractEs wird die bislang größte zusammenhängende bakterielle nicht‐ribosomale Peptidsynthetase (NRPS) beschrieben, die aus 15 konsekutiven Modulen besteht und aus einem einzigen voll funktionalen Gen des entomopathogenen Bakteriums Photorhabdus luminescens hervorgeht. Die Identifikation ihres kryptischen Biosyntheseprodukts wurde mithilfe einer Kombination aus Genomanalyse, Promotoraustausch, Isotopenmarkierung und Totalsynthese einer fokussierten Sammlung von Peptidkandidaten erreicht. Obwohl zur wachsenden Klasse der D‐/L‐Peptid‐Naturstoffe zählend, wies der produzierte Metabolit Kolossin A keine nennenswerte antibakterielle Aktivität auf und ist möglicherweise an einer Interspeziesinteraktion beteiligt. Ein Stereoisomer des ungewöhnlichen Naturstoffs zeigte hohe Aktivität gegen Trypanosoma brucei rhodesiense, einen hartnäckigen Parasiten, der die tödliche afrikanische Schlafkrankheit verursacht.
Biomass Oxidation: Formyl CH Bond Activation by the Surface Lattice Oxygen of Regenerative CuO Nanoleaves
Authors: Amaniampong Prince N. , Trinh Quang Thang , Wang Bo , Borgna Armando , Yang Yanhui , Mushrif Samir H. 
Published: June 2015

AbstractAn integrated experimental and computational investigation reveals that surface lattice oxygen of copper oxide (CuO) nanoleaves activates the formyl CH bond in glucose and incorporates itself into the glucose molecule to oxidize it to gluconic acid. The reduced CuO catalyst regains its structure, morphology, and activity upon reoxidation. The activity of lattice oxygen is shown to be superior to that of the chemisorbed oxygen on the metal surface and the hydrogen abstraction ability of the catalyst is correlated with the adsorption energy. Based on the present investigation, it is suggested that surface lattice oxygen is critical for the oxidation of glucose to gluconic acid, without further breaking down the glucose molecule into smaller fragments, because of CC cleavage. Using CuO nanoleaves as catalyst, an excellent yield of gluconic acid is also obtained for the direct oxidation of cellobiose and polymeric cellulose, as biomass substrates.
Isoprenoid Biosynthesis in Pathogenic Bacteria: Nuclear Resonance Vibrational Spectroscopy Provides Insight into the Unusual [4Fe‐4S] Cluster of the E. coli LytB/IspH Protein
Authors: Faus Isabelle , Reinhard Annegret , Rackwitz Sergej , Wolny Juliusz A. , Schlage Kai , Wille Hans‐Christian , Chumakov Aleksandr , Krasutsky Sergiy , Chaignon Philippe , Poulter C. Dale , Seemann Myriam , Schünemann Volker 
Published: June 2015

AbstractThe LytB/IspH protein catalyzes the last step of the methylerythritol phosphate (MEP) pathway which is used for the biosynthesis of essential terpenoids in most pathogenic bacteria. Therefore, the MEP pathway is a target for the development of new antimicrobial agents as it is essential for microorganisms, yet absent in humans. Substrate‐free LytB has a special [4Fe‐4S]2+ cluster with a yet unsolved structure. This motivated us to use synchrotron‐based nuclear resonance vibrational spectroscopy (NRVS) in combination with quantum chemical‐molecular mechanical (QM/MM) calculations to gain more insight into the structure of substrate‐free LytB. The apical iron atom of the [4Fe‐4S]2+ is clearly linked to three water molecules. We additionally present NRVS data of LytB bound to its natural substrate, (E)‐4‐hydroxy‐3‐methylbut‐2‐en‐1‐yl diphosphate (HMBPP) and to the inhibitors (E)‐4‐amino‐3‐methylbut‐2‐en‐1‐yl diphosphate and (E)‐4‐mercapto‐3‐methylbut‐2‐en‐1‐yl diphosphate.
Diastereodivergent Asymmetric 1,4‐Addition of Oxindoles to Nitroolefins by Using Polyfunctional Nickel‐Hydrogen‐Bond‐Azolium Catalysts
Authors: Mechler Melanie , Peters René 
Published: June 2015

AbstractDiastereodivergency is a challenge for catalytic asymmetric synthesis. For many reaction types, the generation of one diastereomer is inherently preferred, while the other diastereomers are not directly accessible with high efficiency and require circuitous synthetic approaches. Overwriting the inherent preference by means of a catalyst requires control over the spatial positions of both reaction partners. We report a novel polyfunctional catalyst type in which a NiII‐bis(phenoxyimine) unit, free hydroxy groups, and an axially chiral bisimidazolium entity participate in the stereocontrol of the direct 1,4‐addition of oxindoles to nitroolefins. Both epimers of the 1,4‐adduct are accessible in excess on demand by changes to the ligand constitution and configuration. As the products have been reported to be valuable precursors to indole alkaloids, this method should allow access to their epimeric derivatives.
Maternal periconceptional alcohol consumption and congenital heart defects
Authors: Zhu Yong , Romitti Paul A. , Caspers Conway Kristin M. , Shen Dereck H. , Sun Lixian , Browne Marilyn L. , Botto Lorenzo D. , Lin Angela E. , Druschel Charlotte M. ,   the National Birth Defects Prevention Study
Published: June 2015

BackgroundCongenital heart defects (CHDs) are the leading cause of infant death from birth defects. Animal studies suggest in utero alcohol exposure is a teratogen for cardiogenesis; however, results from epidemiologic studies are mixed.MethodsData from the National Birth Defects Prevention Study were used to estimate associations between CHDs and case (n = 7076) and control (n = 7972) mother reports of periconceptional (1 month before pregnancy through the first trimester) alcohol consumption with expected delivery dates during 1997 to 2007. CHDs were examined by category (conotruncal, septal, left ventricular outflow tract obstruction, and right ventricular outflow tract obstruction, heterotaxy with CHD) and subtype (e.g., tetralogy of Fallot [TOF]). Alcohol measures examined were any consumption, maximum average drinks per month, binge drinking, and alcohol type. Adjusted odds ratios and 95% confidence intervals were estimated using unconditional logistic regression analysis.ResultsIncreased risks, albeit marginally statistically significant, were observed for TOF and each maternal alcohol measure examined and for right ventricular outflow tract obstruction and heterotaxy with CHD and consumption of distilled spirits. Significantly reduced risks were observed for several CHD categories (septal defects, left ventricular outflow tract obstruction, and right ventricular outflow tract obstruction) and some corresponding subtypes with different alcohol measures. Significant risks were not observed for the other CHDs examined.ConclusionAnalysis of this large, well‐defined study sample did not show statistically significant increased risks between measures of maternal alcohol consumption and most CHDs examined. These findings may reflect, in part, limitations with retrospective exposure assessment or unmeasured confounders. Additional studies with continued improvement in measurement of alcohol consumption are recommended. Birth Defects Research (Part A) 103:617–629, 2015. © 2015 Wiley Periodicals, Inc.
A Weibull statistics‐based lignocellulose saccharification model and a built‐in parameter accurately predict lignocellulose hydrolysis performance
Authors: Wang Mingyu , Han Lijuan , Liu Shasha , Zhao Xuebing , Yang Jinghua , Loh Soh Kheang , Sun Xiaomin , Zhang Chenxi , Fang Xu 
Published: June 2015

AbstractRenewable energy from lignocellulosic biomass has been deemed an alternative to depleting fossil fuels. In order to improve this technology, we aim to develop robust mathematical models for the enzymatic lignocellulose degradation process. By analyzing 96 groups of previously published and newly obtained lignocellulose saccharification results and fitting them to Weibull distribution, we discovered Weibull statistics can accurately predict lignocellulose saccharification data, regardless of the type of substrates, enzymes and saccharification conditions. A mathematical model for enzymatic lignocellulose degradation was subsequently constructed based on Weibull statistics. Further analysis of the mathematical structure of the model and experimental saccharification data showed the significance of the two parameters in this model. In particular, the λ value, defined the characteristic time, represents the overall performance of the saccharification system. This suggestion was further supported by statistical analysis of experimental saccharification data and analysis of the glucose production levels when λ and n values change. In conclusion, the constructed Weibull statistics‐based model can accurately predict lignocellulose hydrolysis behavior and we can use the λ parameter to assess the overall performance of enzymatic lignocellulose degradation. Advantages and potential applications of the model and the λ value in saccharification performance assessment were discussed.
New Polyurethane/Docosane Microcapsules as Phase‐Change Materials for Thermal Energy Storage
Authors: Felix De Castro Paula , Shchukin Dmitry G. 
Published: June 2015

AbstractPolyurethane microcapsules were prepared by mini‐emulsion interfacial polymerization for encapsulation of phase‐change material (n‐docosane) for energy storage. Three steps were followed with the aim to optimize synthesis conditions of the microcapsules. First, polyurethane microcapsules based on silicone oil core as an inert template with different silicone oil/poly(ethylene glycol)/4,4′‐diphenylmethane diisocyanate wt % ratio were synthesized. The surface morphology of the capsules was analyzed by scanning electronic microscopy (SEM) and the chemical nature of the shell was monitored by Fourier transform infrared spectroscopy (FT‐IR). Capsules with the silicone oil/poly(ethylene glycol)/4,4′‐diphenylmethane diisocyanate 10/20/20 wt % ratio showed the best morphological features and shell stability with average particle size about 4 μm, and were selected for the microencapsulation of the n‐docosane. In the second stage, half of the composition of silicone oil was replaced with n‐docosane and, finally, the whole silicone oil content was replaced with docosane following the same synthetic procedure used for silicone oil containing capsules. Thermal and cycling stability of the capsules were investigated by thermal gravimetric analysis (TGA) and the phase‐change behavior was evaluated by differential scanning calorimetry (DSC).
Wachstumsmessungen von Kristallen in sauberen und verunreinigten Lösungen: Einzelkristall vs. Kollektiv
Authors: Altaher Hamid , Frohberg Patrick , Ulrich Joachim 
Published: June 2015

AbstractInformationen über Kristallwachstumsgeschwindigkeiten und über den Einfluss von Fremdstoffen sind für die Auslegung industrieller Kristallisationsprozesse essenziell. Dazu wurde der Einfluss trivalenter Metallionen Fe3+ in der Lösung und im Kristall auf die Wachstums‐ und Auflösegeschwindigkeit von Magnesiumsulfat‐Hexahydrat‐Kristallen untersucht. Die Ergebnisse zeigen deutlich kinetische und thermodynamische Effekte durch Verunreinigungen, die bei der Apparateauslegung zu berücksichtigten sind. Zudem müssen Effekte einer Wachstumsdispersion durch Untersuchungen von Kristallkollektiven ausgeschlossen werden und die Erfassung der Kristallwachstumsdaten aus den realen Ausgangslösungen erfolgen.
High Performance Top‐Emitting Organic Light‐Emitting Diodes for Super Video Graphics Array Monochromatic Microdisplays Application
Authors: Wu Yukun , Zhang Zhensong , Yue Shouzhen , Huang Ran , Du Huan , Zhao Yi 
Published: June 2015

AbstractWe have demonstrated a high performance top‐emitting organic light‐emitting diode (TEOLED) achieving a brightness of 1000 cd/m2 at a low voltage of 3.4 V, a power efficiency of 55.2 lm/W at a brightness of 611 cd/m2, and a low efficiency roll‐off 5.1% calculated from the maximum efficiency value to that of 5000 cd/m2. Such improved properties are controlled by electron injection from 7‐diphenyl‐1,10‐phenanthroline (BPhen) into and transport by the 2,4,6‐tris[3′‐(pyridin‐3‐yl)biphenyl‐3‐yl]‐1,3,5‐triazine (TmPPPyTz) layer along with hole injection from 4,4′,4′′‐tris(N‐carbazolyl)diphenylamine (TcTa) directly into the fac‐tris(2‐phenylpyridine)iridium [Ir(ppy)3] highest occupied molecular level (HOMO), leading to direct carrier recombination and excitons formation on the phosphor dopants. Eventually we integrated our high performance TEOLEDs on complementary metal oxide semiconductor (CMOS) substrates to realize super video graphics array (SVGA) OLED microdisplays.
Enabling cloud bursting for life sciences within Galaxy
Authors: Afgan Enis , Coraor Nate , Chilton John , Baker Dannon , Taylor James ,   The Galaxy Team
Published: June 2015

SummaryFueled by the radically increased capacity to generate data over the past decade, the field of biomedical research has been constrained by the ability to analyze data. Galaxy, a Web‐based, open‐source data integration and analysis platform for life science research, has been democratizing access to data analysis tools. However, the scale of data and the scope of tools required have proven to be a significant challenge for any monolithic deployment of the Galaxy application. We have found that a distributed and federated approach to utilizing compute and storage resources is necessary. This paper describes the ongoing efforts in creating a ubiquitous platform capable of simultaneously utilizing dedicated as well as on‐demand cloud resources. Specifically, the requirements, process, and an implementation of a cloud‐bursting system are detailed. Copyright © 2010 John Wiley & Sons, Ltd.