bluuebunny/crossref_metadata_2025_split huggingface dataset:
Climate futures for Western Nepal based on regional climate models in the CORDEX‐SA
Authors: Dhaubanjar Sanita , Prasad Pandey Vishnu , Bharati Luna 
Published: October 2019

AbstractWith the objective to provide a basis for regional climate models (RCMs) selection and ensemble generation for climate impact assessments, we perform the first ever analysis of climate projections for Western Nepal from 19 RCMs in the Coordinated Regional Downscaling Experiment for South Asia (CORDEX‐SA). Using the climate futures (CF) framework, projected changes in annual total precipitation and average minimum/maximum temperature from the RCMs are classified into 18 CF matrices for two representative concentration pathways (RCPs: 4.5/8.5), three future time frames (2021–2045/2046–2070/2071–2095), three geographic regions (mountains/hills/plains) and three representative CF (low‐risk/consensus/high‐risk). Ten plausible CF scenario ensembles were identified to assess future water availability in Karnali basin, the headwaters of the Ganges. Comparison of projections for the three regions with literature shows that spatial disaggregation possible using RCMs is important, as local values are often higher with higher variability than values for South Asia. Characterization of future climate using raw and bias‐corrected data shows that RCM projections vary most between mountain and Tarai plains with increasing divergence for higher future and RCPs. Warmer temperatures, prolonged monsoon and sporadic rain events even in drier months are likely across all regions. Highest fluctuations in precipitation are projected for the hills and plains while highest changes in temperature are projected for the mountains. Trends in change in annual average discharge for the scenarios vary across the basin with both precipitation and temperature change influencing the hydrological cycle. CF matrices provide an accessible and simplified basis to systematically generate application‐specific plausible climate scenario ensembles from all available RCMs for a rigorous impact assessment.
Elucidating food web structure of the Poyang Lake ecosystem using amino acid nitrogen isotopes and Bayesian mixing model
Authors: Zhang Zhongyi , Tian Jing , Cao Yansheng , Zheng Nengjian , Zhao Jingjing , Xiao Hongwei , Guo Wei , Zhu Renguo , Xiao Huayun 
Published: October 2019

AbstractCompound‐specific isotope analysis of amino acids (CSIA‐AA) is regarded as a more advanced method of unraveling food web connections than the traditional bulk isotope approach. One of the most important assumptions of the CSIA‐AA approach is that the initial offset (β) between glutamate and phenylalanine in primary producers should remain unchanged. However, the considerable difference in β values between algae (+3.4‰) and vascular plants (−8.0‰) raises concern regarding the application of the CSIA‐AA approach for complex ecosystems that depend on both resources. In the present study, a Bayesian mixing model was used to estimate the individual contribution of basal dietary resources to each consumer of Poyang Lake, and then, the β was reevaluated to adapt to the assimilation of the individual primary producer for each consumer specimen. In general, the contributions of vascular plant‐derived resources to most consumers are consistent with their feeding behaviors. The smaller contribution of vascular plants to planktivorous fish (usually less than 20%) is biologically expected because of their feeding ecology. Using this strategy, we successfully obtained realistic trophic positions (TP) of consumers in Poyang Lake, which are significantly different from traditional TPalgae or TPvascular. For instance, the TP value of grass carp (2.04) was consistent with the feeding behavior of this fish, i.e., they primarily feed on vascular hydrophytes. Therefore, the combination of the CSIA‐AA and Bayesian mixing model provides a better understanding of food web structures, even in a complex freshwater ecosystem.
Numerical simulation of seasonal mesoscale atmospheric flow‐field variables using ARW over the Singapore region: impact of land use land cover
Authors: Madala Srikanth , Salinas Santo V. , Miettinen Jukka , Wang Jun 
Published: October 2019

AbstractIn the present study, the effect of land use land cover information on the simulation of seasonal planetary boundary layer (PBL) flow‐field variables over the Singapore region is analysed using the Advanced Research Weather Research and Forecasting (ARW) mesoscale model. The results achieved are compared using the standard ARW Moderate Resolution Imaging Spectroradiometer (ARW‐MODIS) global land cover data and a regional land cover map produced at the Centre for Remote Imaging, Sensing and Processing (ARW‐CRISP), Singapore. The high‐resolution simulations are conducted with triple‐nested domains (horizontal grid spacing 27, 9 and 3 km) and 51 unequally spaced vertical sigma levels. The evolution of PBL variables and rainfall are modelled for four seasons (northeast monsoon season, first inter‐monsoon period, southwest monsoon season and second inter‐monsoon period). For the purpose of numerical simulations, 30 days in each season were considered and the model‐simulated variables were validated with in situ available meteorological observations and rainfall at four stations over Singapore. The simulation results highlight the broad variation of the low‐level flow‐field in different seasons. The ARW mesoscale model simulated diurnal trends in surface meteorological variables and rainfall are in better agreement with observations by using the ARW‐CRISP regional land cover map compared to ARW‐MODIS global land cover data. Stronger winds are found during monsoon seasons compared with inter‐monsoon periods. Overall, the results of the present study indicate that regional level air quality monitoring and prediction capabilities around Singapore can be improved by using up‐to‐date land cover products designed to take into account regional land cover characteristics.
Enhanced thermoelectric performance of poly(3,4‐ethylenedioxythiophene):poly(4‐styrenesulfonate) (PEDOT:PSS) with long‐term humidity stability via sequential treatment with trifluoroacetic acid
Authors: Yemata Temesgen Atnafu , Kyaw Aung Ko Ko , Zheng Yun , Wang Xizu , Zhu Qiang , Chin Wee Shong , Xu Jianwei 
Published: October 2019

AbstractThis paper reports a range of effective sequential chemical processes to enhance the thermoelectric performance of conducting poly(3,4‐ethylenedioxythiophene) films doped with poly(styrene sulfonate) anions (PEDOT:PSS). The electrical conductivity of the PEDOT:PSS films was significantly increased from 0.33 to 3748 S cm−1 after a series of sequential treatments with trifluoroacetic acid (TFA) while the Seebeck coefficient and thermal conductivity were slightly reduced from 17.5 ± 1.2 to 16.0 ± 1.1 μV K−1 and 0.537 to 0.415 W m–1 K−1 for the pristine film and treated film, respectively, leading to a significant improvement in power factor up to 97.1 ± 5.4 μW m–1 K−2. More importantly, around 80% of the electrical conductivity and Seebeck coefficient was retained after 20 days for these TFA‐treated PEDOT:PSS films, revealing the potential for real thermoelectric applications. © 2019 Society of Chemical Industry
Can we see defects in capacitance measurements of thin‐film solar cells?
Authors: Werner Florian , Babbe Finn , Elanzeery Hossam , Siebentritt Susanne 
Published: October 2019

AbstractThermal admittance spectroscopy and capacitance‐voltage measurements are well established techniques to study recombination‐active deep defect levels and determine the shallow dopant concentration in photovoltaic absorbers. Applied to thin‐film solar cells or any device stack consisting of multiple layers, interpretation of these capacitance‐based techniques is ambiguous at best. We demonstrate how to assess electrical measurements of thin‐film devices and develop a range of criteria that allow to estimate whether deep defects could consistently explain a given capacitance measurement. We show that a broad parameter space, achieved by exploiting bias voltage, time, and illumination as additional experimental parameters in admittance spectroscopy, helps to distinguish between deep defects and capacitive contributions from transport barriers or additional layers in the device stack. On the example of Cu(In,Ga)Se2 thin‐film solar cells, we show that slow trap states are indeed present but cannot be resolved in typical admittance spectra. We explain the common N1 signature by the presence of a capacitive barrier layer and show that the shallow net dopant concentration is not distributed uniformly within the depth of the absorber.
Tissue Proteome Signatures Associated with Five Grades of Prostate Cancer and Benign Prostatic Hyperplasia
Authors: Kawahara Rebeca , Recuero Saulo , Nogueira Fabio C. S. , Domont Gilberto B. , Leite Katia R. M. , Srougi Miguel , Thaysen‐Andersen Morten , Palmisano Giuseppe 
Published: October 2019

AbstractThe histology‐based Gleason score (GS) of prostate cancer (PCa) tissue biopsy is the most accurate predictor of disease aggressiveness and an important measure to guide treatment strategies and patient management. The variability associated with PCa tumor sampling and the subjective determination of the GS are challenges that limit accurate diagnostication and prognostication. Thus, novel molecular signatures are needed to distinguish between indolent and aggressive forms of PCa for better patient management and outcomes. Herein, label‐free LC‐MS/MS proteomics is used to profile the proteome of 50 PCa tissues spanning five grade groups (n = 10 per group) relative to tissues from individuals with benign prostatic hyperplasia (BPH). Over 2000 proteins are identified albeit at different levels between and within the patient groups, revealing biological processes associated with specific grades. A panel of 11 prostate‐derived proteins including IGKV3D‐20, RNASET2, TACC2, ANXA7, LMOD1, PRCP, GYG1, NDUFV1, H1FX, APOBEC3C, and CTSZ display the potential to stratify patients from low and high PCa grade groups. Parallel reaction monitoring of the same sample cohort validate the differential expression of LMOD1, GYG1, IGKV3D‐20, and RNASET2. The four proteins associated with low and high PCa grades reported here warrant further exploration as candidate biomarkers for PCa aggressiveness.
trans‐Stilbene epoxidation by He+O2 atmospheric pressure plasma: Epoxidation without oxidant waste stream
Authors: Xu Han , Wang Sui , Shaban Muhammad , Montazersadgh Faraz , Alkayal Anas , Liu Dingxin , Kong Michael G. , Buckley Benjamin R. , Iza Felipe 
Published: October 2019

AbstractPlasmas interacting with organic liquids can lead to novel synthetic processes that are not feasible with conventional vacuum systems due to vapor pressure limitations. Of particular interest are processes that eliminate the generation of waste streams. Here, we show that He+O2 plasma can drive the epoxidation of alkenes in solution, in a process that generates epoxides without oxidant waste streams, runs at room temperature and atmospheric pressure, and requires no catalyst. The reactions between different reactive oxygen species generated in the plasma and the target alkene, trans‐stilbene in this study, have been identified and optimization of the plasma conditions within the constraints of the current experimental setup has led to yields of ~70%, which are of preparative interest.
Cryo‐electron microscopy targets in CASP13: Overview and evaluation of results
Authors: Kryshtafovych Andriy , Malhotra Sony , Monastyrskyy Bohdan , Cragnolini Tristan , Joseph Agnel‐Praveen , Chiu Wah , Topf Maya 
Published: October 2019

AbstractStructures of seven CASP13 targets were determined using cryo‐electron microscopy (cryo‐EM) technique with resolution between 3.0 and 4.0 Å. We provide an overview of the experimentally derived structures and describe results of the numerical evaluation of the submitted models. The evaluation is carried out by comparing coordinates of models to those of reference structures (CASP‐style evaluation), as well as checking goodness‐of‐fit of modeled structures to the cryo‐EM density maps. The performance of contributing research groups in the CASP‐style evaluation is measured in terms of backbone accuracy, all‐atom local geometry and similarity of inter‐subunit interfaces. The results on the cryo‐EM targets are compared with those on the whole set of eighty CASP13 targets. A posteriori refinement of the best models in their corresponding cryo‐EM density maps resulted in structures that are very close to the reference structure, including some regions with better fit to the density.
An improved core–shell microcapsule diet for rearing larvae of Mallada basalis (Neuroptera: Chrysopidae)
Authors: Hsu Pei‐Chen , Lu Chiu‐Tung 
Published: October 2019

AbstractBACKGROUNDGreen lacewings (Neuroptera: Chrysopidae) are important beneficial insects that can be raised on artificial diets for culturing experimental lines. An encapsulation method for embedding a core material within a sealed shell to prevent evaporation and biological contamination is crucial for providing food to these predatory insects.RESULTSThis study presents a new encapsulation process to mass produce a core–shell microcapsule diet for rearing Mallada basalis (Walker) (Neuroptera: Chrysopidae). This new process provided consistent quality control and effectiveness of the microcapsule diet (742.1 ± 11.3 μm in diameter and 44.2 ± 1.9 μm in shell thickness). Furthermore, significant differences were measured in larval development (24.0 ± 0.3 vs. 20.1 ± 0.6 days) and fecundity (465 ± 65.05 vs. 678 ± 54.91 eggs) on comparing the development of M. basalis larvae fed the old and new diets. Survival rates increased in both single‐ and group‐rearing tests for adults fed the new diet during the larval stages. Neither diet affected predation rates for M. basalis larvae preying on nymphs of Aphis gossypii Glover (Hemiptera: Aphididae) and Bemisia argentifolli Bellows and Perring (Hemiptera: Aleyrodidae).CONCLUSIONCompared with the old process, the new encapsulation process requires reduced effort during preparation, and reduces the weight, cost and space occupied by the equipment. The results of this study suggest that this new spherical microcapsule artificial diet is suitable for group‐rearing of M. basalis and may be appropriate for mass‐rearing of other types of carnivorous insects. © 2019 Society of Chemical Industry
Retracted: A New Cu(I)‐Based Coordination Polymer: Crystal Structure, Molecular Docking and Protective Effect in Streptococcus‐pneumoniae‐Infected Mice by Promoting Immune Cell Response
Authors: Zhang Qiang , Li Heng , Shao Yue , Wang Yong‐Ji 
Published: October 2019

AbstractIn this study, a new Cu(I)‐based coordination polymer (CP) whose chemical formula is [Cu4(CN)4(H2L)](H2O)2(CH3CN)4 (1) has been successfully prepared by reaction of the bipyrazolyl ligand 1H,1′H‐4,4′‐bipyrazole (H2L) and the Cu(NO3)2⋅3H2O. Furthermore, the nanoparticle of complex 1 was prepared by a mechanical grinding technique, which has good water dispersibility. In the in vivo pharmacodynamics and mechanism research, the ELISA was performed to detect the content of IgG in the plasma and the lgA in the alveolar lavage fluid of streptococcus pneumoniae infected mice. After infection and nano 1 treatment, the streptococcus pneumoniae colony numbers were counted by Colony‐Forming Units (CFU) assay for the anti‐bacterial activity evaluation. The drug‐like features of synthesized Cu(I) complex that observed in experiments have been checked into details at the molecular level by performing the molecular docking.
Tetranuclear Zinc and Cobalt Clusters with Dicubane‐Type Topology: Synthesis, Structures, Luminescent and Magnetic Properties
Authors: Sun Hao , Gao Qian , Chhiba Shahil , Chibueze Okolu John , Li Yahong 
Published: October 2019

AbstractThe employment of 1‐((2‐hydroxybenzylidene)amino)‐2,3‐dihydro‐1H‐inden‐2‐ol (H2L) in ZnII and CoII coordination chemistry is reported. Two complexes of compositions [Zn4L4] (1) and [Co4L4] (2) have been synthesized under solvothermal conditions, and fully characterized by X‐ray single crystal diffraction, IR and elemental analysis. They both possess a defect dicubane core. The luminescence studies suggest strong emission for 1 in the solid state at room temperature. Variable temperature (2.0–300 K) magnetic studies for 2 indicate weak ferromagnetic CoII⋅⋅⋅CoII exchange interactions.
Rational Design of Fe2O3 Nanocube‐Based Anodes for High‐Performance Li–Ion Batteries
Authors: Ganesan Vinoth , Park Cheol‐Min 
Published: October 2019

AbstractTo design a high‐performance Fe2O3‐based anode for Li‐ion batteries (LIBs), Fe2O3 nanocubes (Fe2O3–NCs) and their graphite‐modified (Fe2O3–NCs–G) composite were synthesized using a simple two‐step method. The Fe2O3–NCs–G composite consisted of homogeneously distributed individual Fe2O3–NCs with graphite matrices, which were confirmed by X‐ray diffraction (XRD) and scanning electron microscopy. In addition, the Fe2O3–NCs–G composite delivered a high specific surface area and good electrical conductivity. To demonstrate the electrochemical Li insertion/extraction mechanism of the Fe2O3–NCs–G composite electrodes, ex‐situ XRD and Fe K‐edge extended X‐ray absorption fine structure analyses were performed. Because of its structural merits, the synthesized Fe2O3–NCs–G composite exhibited high electrochemical performance featuring a high reversible capacity of 865 mAh g−1 after 100 cycles and a fast rate capability, thus demonstrating its high possibility for high‐performance LIBs.
A New Strategy for the Synthesis of 4‐Propargyl‐Substituted 1H‐Pyrroles fromN‐(5‐phenyl‐2,4‐pentadiynyl) β‐Enaminones
Authors: Yilmaz Elif Serel , Zora Metin 
Published: October 2019

AbstractA new method for the synthesis of 4‐propargyl‐substituted 1H‐pyrroles is described. When treated with sodium hydride in refluxing dichloromethane,N‐(5‐phenyl‐2,4‐pentadiynyl) β‐enaminones, synthesized by the coupling ofN‐propargylic β‐enaminones with phenylacetylene, afforded 4‐propargyl‐substituted pyrrole derivatives. This conversion was general for a variety ofN‐(5‐phenyl‐2,4‐pentadiynyl) β‐enaminones and displayed broad functional group tolerance. During the reaction, not only cyclization of linear precursors to pyrrole ring takes place, but also propargyl group is introduced to pyrrole core in one‐pot. The enrichment of pyrrole compounds with a propargyl unit might exhibit potential for the synthesis of heterocyclic molecules of pharmacological interest.
Investigating the Biological Activity of Imidazolium Aurate Salts
Authors: Sioriki Eleni , Gaillard Sylvain , Nahra Fady , Imad Rehan , Ullah Khair , Wajid Sheeba , Sharif Danish , Fayyaz Sharmeen , Arshad Fiza , Choudhary M. Iqbal , Nolan Steven P. 
Published: October 2019

AbstractWe report herein the biological activities of several imidazolium aurate(I) salts. The cytotoxicity on three cell‐lines (i. e. Hela, H460 and 3T3), enzyme inhibition on a panel of five enzymes (i. e. prolyl endopeptidase, butyrylcholinesterase, tyrosinase, dipeptidyl peptidase and carbonic anhydrase), iron chelation and in vitro Leishmanicidal assay for promastigotes are described. A comparison with other data found in the literature using similar standards to our control experiment is also discussed. Finally, all these data lead us to establish some structure‐activity correlations and to determine the potential importance of the gold moiety in these salts.
Selectfluor‐Mediated Direct C‐H Phosphonation of Quinoxalin‐2(1H)‐ones under Base and Transition‐Metal Free Conditions
Authors: Mai Wen‐Peng , Yuan Jin‐Wei , Zhu Jun‐Liang , Li Qiang‐Qiang , Yang Liang‐Ru , Xiao Yong‐Mei , Mao Pu , Qu Ling‐Bo 
Published: October 2019

AbstractAn efficient and simple protocol for Selectfluor‐mediated phosphonation of quinoxalin‐2(1H)‐ones with dialkyl H‐phosphonates has been developed under base and transition‐metal free conditions, affording the desired 3‐phosphorylated quinoxalin‐2(1H)‐ones in good to excellent yields. This method has the advatages of broad substrate scope, general functional groups compatibility, and mild reaction conditions.
Improved Biocompatibility of Amino‐Functionalized Graphene Oxide in Caenorhabditis elegans
Authors: Rive Corvin , Reina Giacomo , Wagle Prerana , Treossi Emanuele , Palermo Vincenzo , Bianco Alberto , Delogu Lucia Gemma , Rieckher Matthias , Schumacher Björn 
Published: October 2019

AbstractGraphene oxide (GO) holds high promise for diagnostic and therapeutic applications in nanomedicine but reportedly displays immunotoxicity, underlining the need for developing functionalized GO with improved biocompatibility. This study describes adverse effects of GO and amino‐functionalized GO (GONH2) during Caenorhabditis elegans development and ageing upon acute or chronic exposure. Chronic GO treatment throughout the C. elegans development causes decreased fecundity and a reduction of animal size, while acute treatment does not lead to any measurable physiological decline. However, RNA‐Sequencing data reveal that acute GO exposure induces innate immune gene expression. The p38 MAP kinase, PMK‐1, which is a well‐established master regulator of innate immunity, protects C. elegans from chronic GO toxicity, as pmk‐1 mutants show reduced tissue‐functionality and facultative vivipary. In a direct comparison, GONH2 exposure does not cause detrimental effects in the wild type or in pmk‐1 mutants, and the innate immune response is considerably less pronounced. This work establishes enhanced biocompatibility of amino‐functionalized GO in a whole‐organism, emphasizing its potential as a biomedical nanomaterial.
Laser‐Directed Assembly of Nanorods of 2D Materials
Authors: Ibrahim Khaled , Novodchuk Inna , Mistry Kissan , Singh Michael , Ling Christopher , Sanderson Joseph , Bajcsy Michal , Yavuz Mustafa , Musselman Kevin P. 
Published: October 2019

AbstractHerein, the previously unrealized ability to grow nanorods and nanotubes of 2D materials using femtosecond laser irradiation is demonstrated. In as short as 20 min, nanorods of tungsten disulfide, molybdenum disulfide, graphene, and boron nitride are grown in solutions. The technique fragments nanoparticles of the 2D materials from bulk flakes and leverages molecular scale alignment by nonresonant intense laser pulses to direct their assembly into nanorods up to several micrometers in length. The laser treatment process is found to induce phase transformations in some of the materials, and also results in the modification of the nanorods with functional groups from the solvent atoms. Notably, the WS2 nanoparticles, which are ablated from semiconducting 2H WS2 crystallographic phase flakes, reassemble into nanorods consisting of the 1T metallic phase. Due to this transition, and the 1D nature of the fabricated nanorods, the WS2 nanorods display substantial improvements in electrical conductivity and optical transparency when employed as transparent conductors.