bluuebunny/crossref_metadata_2025_split huggingface dataset:
Assessment of winter wheat water‐saving potential in the groundwater overexploitation district of the North China Plain
Authors: Jiang Yulin , Wang Xiaohui , Ti Jinsong , Lu Zhou , Yin Xiaogang , Chu Qingquan , Lei Yongdeng , Chen Fu 
Published: January 2020

AbstractWater resources are the largest limiting factors for wheat (Triticum aestivum L.) production in the North China Plain (NCP). Irrigation used in wheat production has caused a reduction in the groundwater table and aggravated regional water scarcity. In this research, we analyzed the spatiotemporal changes in winter wheat cropping area and water balance during the winter wheat growing season in the groundwater overexploitation district (GOD) from 1985 to 2015. Focusing on typical districts, we set different optimized cropping scenes and estimated water‐saving potential based on current national policy (fallow planting area and reduce irrigation events). The winter wheat area increased in the GOD during the past 30 yr, especially in deep overexploitation area (DOA). There was a slight decrease in shallow overexploitation area (SOA) but a slight increase in the mixed area (MA). The winter wheat area was more concentrated in DOA during the past 30 yr. Lower precipitation, higher crop evapotranspiration (ETc), and higher evapotranspiration of applied water (ETaw) occurred in the GOD than in other areas in the NCP. We set optimized planting scenes that fallow 10% cultivated area in DOA and 5% in MA while reducing one irrigation event in the whole area. Results showed that the water‐saving potential in GOD could reach 14.09 billion m3 with 4.54 Tg yield lost. This research can help us better understand the influence of winter wheat production on groundwater overexploitation and is useful for the government to develop and extend ongoing adaptation strategies for coping with groundwater overexploitation events.
Noninvasive measurement of mucosal immunity in a free‐ranging baboon population
Authors: Gesquiere Laurence R. , Habig Bobby , Hansen Christina , Li Amanda , Freid Kimberly , Learn Niki H. , Alberts Susan C. , Graham Andrea L. , Archie Elizabeth A. 
Published: January 2020

AbstractEcoimmunological patterns and processes remain understudied in wild primates, in part because of the lack of noninvasive methods to measure immunity. Secretory immunoglobulin A (sIgA) is the most abundant antibody present at mammalian mucosal surfaces and provides an important first line of defense against pathogens. Recent studies show that sIgA can be measured noninvasively in feces and is a good marker of mucosal immunity. Here we validated a commercial ELISA kit to measure fecal IgA in baboons, tested the robustness of its results to variation in collection and storage conditions, and developed a cost‐effective in‐house ELISA for baboon fecal IgA. Using data from the custom ELISA, we assessed the relationship between fecal IgA concentrations and gastrointestinal parasite burden, and tested how sex, age, and reproductive effort predict fecal IgA in wild baboons. We find that IgA concentrations can be measured in baboon feces using an in‐house ELISA and are highly correlated to the values obtained with a commercial kit. Fecal IgA concentrations are stable when extracts are stored for up to 22 months at −20°C. Fecal IgA concentrations were negatively correlated with parasite egg counts (Trichuris trichiura), but not parasite richness. Fecal IgA did not vary between the sexes, but for males, concentrations were higher in adults versus adolescents. Lactating females had significantly lower fecal IgA than pregnant females, but neither pregnant nor lactating female concentrations differed significantly from cycling females. Males who engaged in more mate‐guarding exhibited similar IgA concentrations to those who engaged in little mate‐guarding. These patterns may reflect the low energetic costs of mucosal immunity, or the complex dependence of IgA excretion on individual condition. Adding a noninvasive measure of mucosal immunity will promote a better understanding of how ecology modulates possible tradeoffs between the immune system and other energetically costly processes in the wild.
Understandability and actionability of audiovisual patient education materials on sinusitis
Authors: Rubel Kolin E. , Alwani Mohamedkazim M. , Nwosu Obi I. , Bandali Elhaam H. , Shipchandler Taha Z. , Illing Elisa A. , Ting Jonathan Y. 
Published: January 2020

BackgroundAcute and chronic rhinosinusitis are debilitating diseases that affect from 5% to 16% of the population. YouTube is the second most commonly used search engine and is often utilized by patients to garner health information regarding various disease processes and their respective management options. An evaluation of these information resources for quality and reliability is warranted, especially in an era in which patients are increasingly turning to audiovisual (A/V) media to educate themselves regarding their ailments.MethodsThe YouTube video database was searched using the term “sinusitis” from its inception through to November 2018. The first 50 videos populated under the relevance‐based ranking option were collected and parsed by time and language. Of the 50 videos, 10 were eliminated either for length (≤1 minute or ≥20 minutes), language (any language other than English), and/or for later being removed by YouTube for copyright violations. The videos were then assessed using the Patient Education Materials Assessment Tool―Audio/Visual (PEMAT‐A/V) by 2 independent reviewers for understandability and actionability.ResultsA total of 40 videos were examined using the PEMAT‐A/V tool. The average understandability score was 57.7%, whereas the average actionability score was 46.3%. Eleven videos (28%) had actionability scores of 0%. Videos most commonly addressed disease management options (38%). The second largest category was case presentations regarding surgical techniques (30%). There were only 6 videos focused primarily on education about the definition and common traits of sinusitis (15%).ConclusionOur results show a paucity of high‐quality online A/V educational material pertaining to sinusitis, with a majority of videos being neither understandable nor actionable. As patients increasingly turn to internet video databases like YouTube for medical information, it is critical that physicians and institutions create A/V material that is accurate, understandable, and actionable.
Predicting Upper Limb Motor Impairment Recovery after Stroke: A Mixture Model
Authors: van der Vliet Rick , Selles Ruud W. , Andrinopoulou Eleni‐Rosalina , Nijland Rinske , Ribbers Gerard M. , Frens Maarten A. , Meskers Carel , Kwakkel Gert 
Published: January 2020

ObjectiveSpontaneous recovery is an important determinant of upper extremity recovery after stroke and has been described by the 70% proportional recovery rule for the Fugl–Meyer motor upper extremity (FM‐UE) scale. However, this rule is criticized for overestimating the predictability of FM‐UE recovery. Our objectives were to develop a longitudinal mixture model of FM‐UE recovery, identify FM‐UE recovery subgroups, and internally validate the model predictions.MethodsWe developed an exponential recovery function with the following parameters: subgroup assignment probability, proportional recovery coefficient
r
k, time constant in weeks
τ
k, and distribution of the initial FM‐UE scores. We fitted the model to FM‐UE measurements of 412 first‐ever ischemic stroke patients and cross‐validated endpoint predictions and FM‐UE recovery cluster assignment.ResultsThe model distinguished 5 subgroups with different recovery parameters (
r1 = 0.09,
τ1 = 5.3,
r2 = 0.46,
τ2 = 10.1,
r3 = 0.86,
τ3 = 9.8,
r4 = 0.89,
τ4 = 2.7,
r5 = 0.93,
τ5 = 1.2). Endpoint FM‐UE was predicted with a median absolute error of 4.8 (interquartile range [IQR] = 1.3–12.8) at 1 week poststroke and 4.2 (IQR = 1.3–9.8) at 2 weeks. Overall accuracy of assignment to the poor (subgroup 1), moderate (subgroups 2 and 3), and good (subgroups 4 and 5) FM‐UE recovery clusters was 0.79 (95% equal‐tailed interval [ETI] = 0.78–0.80) at 1 week poststroke and 0.81 (95% ETI = 0.80–0.82) at 2 weeks.InterpretationFM‐UE recovery reflects different subgroups, each with its own recovery profile. Cross‐validation indicates that FM‐UE endpoints and FM‐UE recovery clusters can be well predicted. Results will contribute to the understanding of upper limb recovery patterns in the first 6 months after stroke. ANN NEUROL 2020;87:383–393 Ann Neurol 2020;87:383–393
Enantioselective Radical‐Polar Crossover Reactions of Indanonecarboxamides with Alkenes
Authors: Zhang Xiying , Wu Wangbin , Cao Weidi , Yu Han , Xu Xi , Liu Xiaohua , Feng Xiaoming 
Published: January 2020

AbstractHighly efficient asymmetric intermolecular radical‐polar crossover reactions were realized by combining a chiral N,N′‐dioxide/NiII complex catalyst with Ag2O under mild reaction conditions. Various terminal alkenes and indanonecarboxamides/esters underwent radical addition/cyclization reactions to afford spiro‐iminolactones and spirolactones with good to excellent yields (up to 99 %) and enantioselectivities (up to 97 % ee). Furthermore, a range of different radical‐mediated oxidation/elimination or epoxide ring‐opening products were obtained under mild reaction conditions. The Lewis acid catalysts exhibited excellent performance and precluded the strong background reaction.
Wasserunterstützte homolytische Dissoziation von Propin auf reduzierter Ceroxidoberfläche
Authors: Zhong Jian‐Qiang , Han Zhong‐Kang , Werner Kristin , Li Xiao‐Yan , Gao Yi , Shaikhutdinov Shamil , Freund Hans‐Joachim 
Published: January 2020

AbstractDie neuartige Verwendung von Ceroxid (CeO2) als effizienter Katalysator für die selektive Hydrierung von Alkinen hat große Aufmerksamkeit erregt. Intensive Forschungsanstrengungen wurden dem Verständnis des zugrundeliegenden katalytischen Mechanismus gewidmet, insbesondere der Wechselwirkung zwischen H2 und CeO2. In dieser Arbeit zeigen wir, dass ein weiterer Schlüsselaspekt der Hydrierungsreaktion von Propin (C3H4) zu Propen – die Adsorption von Propin auf Ceroxid – stark vom Reduktionsgrad der Ceroxidoberfläche, vom Hydroxylierungsgrad der Oberfläche und von der Gegenwart von Wasser abhängt. Durch die Kombination von Infrarot‐Reflexions‐Absorptions‐Spektroskopie (IRAS) und Dichtefunktionaltheorie(DFT)‐Rechnungen wurde die Dissoziation von Propin nachverfolgt und die Bildung von Methylacetylidgruppen (CH3CC‐) nachgewiesen. Wir zeigen, dass Propin auf der reduzierten Ceroxidoberfläche heterolytisch dissoziiert, wenn ein Methylacetylid‐Ion auf einer Sauerstoffleerstelle gebildet werden kann und ein Proton auf eine nahgelegene Sauerstoffstelle (OH‐Gruppe) übertragen wird, während die Anwesenheit von Wassermolekülen, mit denen das chemisorbierte Methylacetylid um die Leerstelle konkurriert, durch Verdrängung des Methylacetylids auf die nahe gelegene Sauerstoffstelle den homolytischen Dissoziationsweg begünstigt.
Quantitative Design of Bright Fluorophores and AIEgens by the Accurate Prediction of Twisted Intramolecular Charge Transfer (TICT)
Authors: Wang Chao , Qiao Qinglong , Chi Weijie , Chen Jie , Liu Wenjuan , Tan Davin , McKechnie Scott , Lyu Da , Jiang Xiao‐Fang , Zhou Wei , Xu Ning , Zhang Qisheng , Xu Zhaochao , Liu Xiaogang 
Published: January 2020

AbstractInhibition of TICT can significantly increase the brightness of fluorescent materials. Accurate prediction of TICT is thus critical for the quantitative design of high‐performance fluorophores and AIEgens. TICT of 14 types of popular organic fluorophores were modeled with time‐dependent density functional theory (TD‐DFT). A reliable and generalizable computational approach for modeling TICT formations was established. To demonstrate the prediction power of our approach, we quantitatively designed a boron dipyrromethene (BODIPY)‐based AIEgen which exhibits (almost) barrierless TICT rotations in monomers. Subsequent experiments validated our molecular design and showed that the aggregation of this compound turns on bright emissions with ca. 27‐fold fluorescence enhancement, as TICT formation is inhibited in molecular aggregates.
A Site‐Selective Doping Strategy of Carbon Anodes with Remarkable K‐Ion Storage Capacity
Authors: Zhang Wenli , Cao Zhen , Wang Wenxi , Alhajji Eman , Emwas Abdul‐Hamid , Costa Pedro M. F. J. , Cavallo Luigi , Alshareef Husam N. 
Published: January 2020

AbstractThe limited potassium‐ion intercalation capacity of graphite hampers development of potassium‐ion batteries (PIB). Edge‐nitrogen doping is an effective approach to enhance K‐ion storage in carbonaceous materials. One shortcoming is the lack of precise control over producing the edge‐nitrogen configuration. Here, a molecular‐scale copolymer pyrolysis strategy is used to precisely control edge‐nitrogen doping in carbonaceous materials. This process results in defect‐rich, edge‐nitrogen doped carbons (ENDC) with a high nitrogen‐doping level (up to 10.5 at %) and a high edge‐nitrogen ratio (87.6 %). The optimized ENDC exhibits a high reversible capacity of 423 mAh g−1, a high initial Coulombic efficiency of 65 %, superior rate capability, and long cycle life (93.8 % retention after three months). This strategy can be extended to design other edge‐heteroatom‐rich carbons through pyrolysis of copolymers for efficient storage of various mobile ions.
Water‐Assisted Homolytic Dissociation of Propyne on a Reduced Ceria Surface
Authors: Zhong Jian‐Qiang , Han Zhong‐Kang , Werner Kristin , Li Xiao‐Yan , Gao Yi , Shaikhutdinov Shamil , Freund Hans‐Joachim 
Published: January 2020

AbstractThe emergence of ceria (CeO2) as an efficient catalyst for the selective hydrogenation of alkynes has attracted great attention. Intensive research effort has been devoted to understanding the underlying catalytic mechanism, in particular the H2–CeO2 interaction. Herein, we show that the adsorption of propyne (C3H4) on ceria, another key aspect in the hydrogenation of propyne to propene, strongly depends on the degree of reduction of the ceria surface and hydroxylation of the surface, as well as the presence of water. The dissociation of propyne and the formation of methylacetylide (CH3CC‐) have been identified through the combination of infrared reflection absorption spectroscopy (IRAS) and DFT calculations. We demonstrate that propyne undergoes heterolytic dissociation on the reduced ceria surface by forming a methylacetylide ion on the oxygen vacancy site and transferring a proton to the nearby oxygen site (OH group), while a water molecule that competes with the chemisorbed methylacetylide at the vacancy site assists the homolytic dissociation pathway by rebounding the methylacetylide to the nearby oxygen site.
A Phototheranostic Strategy to Continuously Deliver Singlet Oxygen in the Dark and Hypoxic Tumor Microenvironment
Authors: Zou Jianhua , Zhu Jianwei , Yang Zhen , Li Ling , Fan Wenpei , He Liangcan , Tang Wei , Deng Liming , Mu Jing , Ma Yuanyuan , Cheng Yaya , Huang Wei , Dong Xiaochen , Chen Xiaoyuan 
Published: January 2020

AbstractContinuous irradiation during photodynamic therapy (PDT) inevitably induces tumor hypoxia, thereby weakening the PDT effect. In PDT‐induced hypoxia, providing singlet oxygen from stored chemical energy may enhance the cell‐killing effect and boost the therapeutic effect. Herein, we present a phototheranostic (DPPTPE@PEG‐Py NPs) prepared by using a 2‐pyridone‐based diblock polymer (PEG‐Py) to encapsulate a semiconducting, heavy‐atom‐free pyrrolopyrrolidone‐tetraphenylethylene (DPPTPE) with high singlet‐oxygen‐generation ability both in dichloromethane and water. The PEG‐Py can trap the 1O2 generated from DPPTPE under laser irradiation and form a stable intermediate of endoperoxide, which can then release 1O2 in the dark, hypoxic tumor microenvironment. Furthermore, fluorescence‐imaging‐guided phototherapy demonstrates that this phototheranostic could completely inhibit tumor growth with the help of laser irradiation.
Strong‐Base‐Assisted Synthesis of a Crystalline Covalent Triazine Framework with High Hydrophilicity via Benzylamine Monomer for Photocatalytic Water Splitting
Authors: Zhang Siquan , Cheng Guang , Guo Liping , Wang Ning , Tan Bien , Jin Shangbin 
Published: January 2020

AbstractMethods to synthesize crystalline covalent triazine frameworks (CTFs) are limited and little attention has been paid to development of hydrophilic CTFs and photocatalytic overall water splitting. A route to synthesize crystalline and hydrophilic CTF‐HUST‐A1 with a benzylamine‐functionalized monomer is presented. The base reagent used plays an important role in the enhancement of crystallinity and hydrophilicity. CTF‐HUST‐A1 exhibits good crystallinity, excellent hydrophilicity, and excellent photocatalytic activity in sacrificial photocatalytic hydrogen evolution (hydrogen evolution rate up to 9200 μmol g−1 h−1). Photocatalytic overall water splitting is achieved by depositing dual co‐catalysts in CTF‐HUST‐A1, with H2 evolution and O2 evolution rates of 25.4 μmol g−1 h−1 and 12.9 μmol g−1 h−1 in pure water without using sacrificial agent.
Asymmetric Total Synthesis of the Complex Polycyclic Xanthone FD‐594
Authors: Xie Tao , Zheng Chaoying , Chen Kuanwei , He Haibing , Gao Shuanhu 
Published: January 2020

AbstractA highly convergent approach was developed to achieve the first asymmetric and scalable total synthesis of FD‐594, a complex polycyclic xanthone natural product from Streptomyces sp. TA‐0256, in a longest linear sequence (LLS) of 20 steps. The trans‐9,10‐dihydrophenanthrene‐9,10‐diol fragment (B‐C‐D ring) was generated through a new strategy involving asymmetric dihydroxylation followed by Cu‐mediated oxidative cyclization. Late‐stage stereoselective glycosylation assembled the angular hexacyclic framework with a β‐linked 2,6‐dideoxy trisaccharide fragment.
Switching of Redox Properties Triggered by a Thermal Equilibrium between Closed‐Shell Folded and Open‐Shell Twisted Species
Authors: Ishigaki Yusuke , Hashimoto Takumi , Sugawara Kazuma , Suzuki Shuichi , Suzuki Takanori 
Published: January 2020

AbstractThermally switchable redox properties have been reported to be due to a change in the spin state of newly designed overcrowded ethylenes, which can adopt closed‐shell folded and open‐shell twisted forms. In this study, tetrathienylanthraquinodimethane derivatives were designed to be in thermal equilibrium between a more stable folded form and less stable but more donating twisted diradical in solution, so that the oxidation potential can be controlled by heating/cooling. This is the first example of a switching of redox properties based on a thermally equilibrated twisted diradical, which can be more readily oxidized to the twisted dication.
Optimization method to reduce three‐dimensional thermal gradients in resin transfer molding
Authors: Yang Wenkai , Lu Shihong , Liu Wenhao 
Published: January 2020

ABSTRACTPresently, the mold and resin are heated to promote resin flow and shorten curing period in order to improve manufacturing efficiency of resin transfer molding (RTM). This nonisothermal manufacturing process easily generates three‐dimensional thermal gradients in the direction of resin flow and thickness of composite part. However, the existing heating systems only consider the thermal gradients along thickness direction. The thermal gradients in direction of resin flow cannot be reduced which will lead to residual stress even deformation and cracking in composite part. This article aims at reducing the three‐dimensional thermal gradients in the direction of resin flow and thickness of composite part. Based on the theory of energy and fluid flow, an optimization method of heating system design by using numerical simulation is proposed. The results show this method reduces the three‐dimensional thermal gradients effectively in composite part manufactured by RTM process. This study can provide powerful tools for heating system design to manufacture composites products in polymer industry. © 2020 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2020,137, 48948.
Identifying historical baseline at the onset of exploitation to improve understanding of fishing impacts
Authors: Novaglio Camilla , Smith Anthony D.M. , Frusher Stewart , Ferretti Francesco 
Published: January 2020

Abstract

Marine communities have long been impacted by human activities, but the quantification of human‐driven changes often relies on recent data. This is because historical data on fish populations are lacking and are challenging to include in contemporary stock and ecological assessments. As a result, the impacts of early fishing pressure on marine communities are generally poorly documented worldwide.
Marine communities of Southeast Australia have a relatively short history of exploitation compared with other temperate systems and were sampled before and after the onset of commercial fishing. As such, they provide a rare opportunity to identify historical baselines and to understand ecological changes after the onset of commercial exploitation.
This study compares survey data collected around Tasmania, Southeast Australia, in 1909–1910 with data from the 1980s. The period considered precedes the establishment of a trawl fishery in Southeast Australia in 1915, of other important commercial fisheries in Tasmania, and of a fisheries data collection programme in 1984. Nominal catch rates are used to examine changes across all families of demersal fish recorded in catches and generalized linear models are used to estimate and compare standardized indices of abundance between the 1909–1910 and 1980s data for key commercial families.
Results show significant, and thus far unreported, fishing‐induced changes in marine communities after the establishment of commercial fishing in the region. Changes mostly relate to shifts in catch composition and steep declines in the abundance of the main commercial families.
This study illustrates a method for analysing low‐quality historical catch data and provides estimates of pre‐commercial fishing abundance that can be included in stock and ecological assessments. More broadly, this study demonstrates the significant role of early fishing in shaping marine communities and increases our understanding about general patterns of exploitation that have been difficult to identify with longer but less detailed fishing histories.
Techno‐economic analysis of co‐production of 2,3‐butanediol, furfural, and technical lignin via biomass processing based on deep eutectic solvent pretreatment
Authors: Zang Guiyan , Shah Ajay , Wan Caixia 
Published: January 2020

AbstractThis study analyzed the techno‐economic feasibility of a biomass conversion process enabled by high‐solid loading deep eutectic solvent (DES) pretreatment for the co‐production of 2,3‐butanediol (BDO), furfural, and technical lignin. Aspen plus was used for process simulation; economic analysis models were developed to evaluate commercial potential; sensitivity analysis was carried out to evaluate the effects of key parameters on the production cost of 2,3‐BDO; and Monte‐Carlo simulation was used for uncertainty analysis. Two cases of high‐solid loading pretreatment (20% versus 27%) for DES pretreatment were compared. The process simulation results indicate that 78–79% of cellulose, 63–70% of xylan, and 40–44% of lignin in raw switchgrass are converted into 2,3‐BDO, furfural, and technical lignin, respectively. The minimum 2,3‐BDO selling price (MBSP) of these two cases is estimated to be 1703–1736 $ ton−1, which is about half of the current 2,3‐BDO market price. Sensitivity analyses show that the prices and recycle ratios of acetone and methyl isobutyl ketone (MIBK) have larger impacts on the MBSP, which indicates that further technical improvement should focus on reducing their consumption. The uncertainty analysis indicates that 20 and 27% solid loading systems have similar confident intervals, with 90% confidence interval of MBSP ranging from 1450–1990 $ ton−1. © 2020 Society of Chemical Industry and John Wiley & Sons, Ltd