bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development of a filtered interphase heat transfer model based on fine‐grid simulations of gas–solid flows
Authors: Huang Zheqing , Zhang Chi , Jiang Ming , Zhou Qiang 
Published: August 2019

AbstractThe filtered interphase heat‐transfer coefficient for coarse‐grid simulations of gas–solid flows can be obtained via a correction (Q) to its microscopic counterpart. The numerical results show that a good linear correlation between Q and the subgrid drift temperature exists at various filtered solid volume fractions, filter sizes and Reynolds numbers, where the subgrid drift temperature is the correlation between the fluctuating temperature of the gas phase and the fluctuation of the gas volume fraction. Since Q can be determined solely by one subgrid quantity, closure for Q is directly pursued. It is found that Q correlates surprisingly well with the product of the filtered solid volume fraction and the filtered temperature difference between the two phases normalized by the filtered heat transfer at a larger scale than the considered coarse grid. A fitting correlation is formulated based on this observation, and its predictability is evaluated in an a priori test.
A comparison of different geometrical elements to model fluid wicking in paper‐based microfluidic devices
Authors: Boodaghi Miad , Shamloo Amir 
Published: August 2019

AbstractRecently, microfluidic paper‐based analytical devices (μPADs) have outstripped polymeric microfluidic devices in the ease of fabrication and simplicity. Surface tension‐based fluid motion in the paper's porous structure has made the paper a suitable substrate for multiple biological assays by directing fluid into multiple assay zones. The widespread assumption in most works for modeling wicking in a paper is that the paper is a combination of capillaries with the same diameter equal to the effective pore diameter. Although assuming paper as a bundle of capillaries gives a good insight into pressure force that drives the fluid inside the paper, there are some difficulties using the effective pore radius. The effective pore radius is totally different from the average geometrical pore radius which makes it impossible to predict wicking in μPADs based on geometrical parameters. In this article, we introduce different analytical and numerical models to investigate the possibility of determining the permeability of the paper, based on geometrical parameters rather than effective parameters. The lattice Boltzmann method is used for numerical simulations. The permeability of each of the proposed models was compared with the experimental permeability. Results indicated that assuming paper as a combination of capillaries and annuluses leads to accurate results that totally depend on average geometrical values rather than effective values. This paves the way for prediction of the fluid wicking only by considering average geometrical pore and fiber diameters.
6‐Methylenebicyclo[3.2.1]oct‐1‐en‐3‐one: A Twisted Olefin as Diels–Alder Dienophile for Expedited Syntheses of Four Kaurane Diterpenoids
Authors: Wang Junjie , Ma Dawei 
Published: August 2019

Abstract6‐Methylenebicyclo[3.2.1]oct‐1‐en‐3‐one, a twisted and highly reactive enone, was prepared for the first time by elimination of its bromide precursor. Its reactions as a dienophile with several dienes in Diels–Alder reactions proceeded smoothly to provide tricyclic and tetracyclic adducts, which allowed short syntheses (10–11 steps) of four kurane diterpenoids including 11β‐hydroxy‐16‐kaurene, 11α‐hydroxy‐16‐kaurene, liangshanin G, and gesneroidin B.
Atomic Layer Deposition of ZnO on CuO Enables Selective and Efficient Electroreduction of Carbon Dioxide to Liquid Fuels
Authors: Ren Dan , Gao Jing , Pan Linfeng , Wang Zaiwei , Luo Jingshan , Zakeeruddin Shaik M. , Hagfeldt Anders , Grätzel Michael 
Published: August 2019

AbstractElectrochemical reduction of carbon dioxide, if powered by renewable electricity, could serve as a sustainable technology for carbon recycling and energy storage. Among all the products, ethanol is an attractive liquid fuel. However, the maximum faradaic efficiency of ethanol is only ≈10 % on polycrystalline Cu. Here, CuZn bimetallic catalysts were synthesized by in situ electrochemical reduction of ZnO‐shell/CuO‐core bi‐metal‐oxide. Dynamic evolution of catalyst was revealed by STEM‐EDS mapping, showing the migration of Zn atom and blending between Cu and Zn. CuZn bimetallic catalysts showed preference towards ethanol formation, with the ratio of ethanol/ethylene increasing over five times regardless of applied potential. We achieved 41 % faradaic efficiency for C2+ liquids with this catalyst. Transitioning from H‐cell to an electrochemical flow cell, we achieved 48.6 % faradaic efficiency and −97 mA cm−2 partial current density for C2+ liquids at only −0.68 V versus reversible hydrogen electrode in 1 m KOH. Operando Raman spectroscopy showed that CO binding on Cu sites was modified by Zn. Free CO and adsorbed *CH3 are believed to combine and form *COCH3 intermediate, which is exclusively reduced to ethanol.
Construction of C(sp2)−C(sp3) Bond between Quinoxalin‐2(1H)‐ones and N‐Hydroxyphthalimide Esters via Photocatalytic Decarboxylative Coupling
Authors: Yan Zhiyang , Sun Bin , Zhang Xun , Zhuang Xiaohui , Yang Jin , Su Weike , Jin Can 
Published: August 2019

AbstractA novel visible‐light‐driven decarboxylative coupling of alkyl N‐hydroxyphthalimide esters (NHP esters) with quinoxalin‐2(1H)‐ones has been developed. This C(sp2)−C(sp3) bond‐forming transformation exhibits excellent substrate generality with respect to both the coupling partners. Of note, a series of 3‐primary alkyl‐substituted quinoxalin‐2(1H)‐ones that were difficult to synthesize by previous methods could be obtained in moderate to excellent yields. Additionally, the mild conditions, easy availability of substrates, wide functional group tolerance and operational simplicity make this protocol practical in the synthesis of 3‐alkylated quinoxalin‐2(1H)‐ones.
Wider Voltage Window, High Capacity and Ultra‐Long Life of an Na0.91MnO2 Cathode for an Aqueous High‐Performance Supercapacitor
Authors: Qin Tianfeng 
Published: August 2019

AbstractThe potential window of an aqueous supercapacitor cathode is usually less than 1.3 V, which hinders the enhancement of the energy density and can be conquered by activating the multiple redox reactions of the cathode. Herein, tetragonal phase Na0.91MnO2 nanosheets/nanowires arrays with high cation content are produced in situ on an electrochemically treated carbon cloth by an electrochemical oxidation method. It is observed that the Na0.91MnO2 nanosheet/nanowire array electrode can operate stably within the potential window of −0.6 V to 1.2 V (vs Ag/AgCl) with an ultrahigh capacity of 856 C g−1 and an outstanding stability and excellent rate ability. With a carbon fiber fabric with a large surface area as the anode, the Na0.91MnO2 cathode in the two‐electrode cell can still operate stably within the voltage range from 0 to 2.07 V (still within the range of the three redox peak couples, demonstrating a high energy density of 138 Wh kg−1, an excellent power density of 33 kW kg−1 as well as 100 % retention even after 120 000 cycles. This work may pave the way for the development of an aqueous supercapacitor cathode with a wider potential window.
An Unintentional Discovery of a Fluorogenic DNA Probe for Ribonuclease I
Authors: Chang Dingran , Chang Thomas , Salena Bruno , Li Yingfu 
Published: August 2019

AbstractRibonuclease I belongs to a class of nonspecific endoribonucleases and plays many important roles in a variety of biological and cellular processes. While their ubiquitous nature and high activity contribute to the well‐known problem of RNase contamination in experimentation, their abundance in bacteria can potentially be leveraged as a biosensor target. As a result, there is substantial interest in generating a specific and reliable probe for RNase detection for a variety of purposes. To that end, we report on our unintentional discovery of the RNase I probe RFA13‐1 isolated through in vitro selection with the crude extracellular mixture from Clostridium difficile contaminated with Klebsiella aerogenes as a selection target. Characterization of RFA13‐1 reveals that it exhibits high sensitivity to Escherichia coli RNase I with a detection limit of 1.39 pm. Furthermore, RFA13‐1 also shows high specificity for RNase I produced only in select bacteria from the Enterobacteriaceae family. As a result, this probe offers a simple tool for RNase I detection with potential applications in RNase functional studies, ribonuclease contamination monitoring, and bacterial detection.
Steric Effects Dictate the Formation of Terminal Arylborylene Complexes of Ruthenium from Dihydroboranes
Authors: Lenczyk Carsten , Roy Dipak Kumar , Nitsch Jörn , Radacki Krzysztof , Rauch Florian , Dewhurst Rian D. , Bickelhaupt F. Matthias , Marder Todd B. , Braunschweig Holger 
Published: August 2019

AbstractThe steric and electronic properties of aryl substituents in monoaryl borohydrides (Li[ArBH3]) and dihydroboranes were systematically varied and their reactions with [Ru(PCy3)2HCl(H2)] (Cy: cyclohexyl) were studied, resulting in bis(σ)‐borane or terminal borylene complexes of ruthenium. These variations allowed for the investigation of the factors involved in the activation of dihydroboranes in the synthesis of terminal borylene complexes. The complexes were studied by multinuclear NMR spectroscopy, mass spectrometry, X‐ray diffraction analysis, and density functional theory (DFT) calculations. The experimental and computational results suggest that the ortho‐substitution of the aryl groups is necessary for the formation of terminal borylene complexes.
Facile Synthesis of Ultra‐Small Few‐Layer Nanostructured MoSe2 Embedded on N, P Co‐Doped Bio‐Carbon for High‐Performance Half/Full Sodium‐Ion and Potassium‐Ion Batteries
Authors: Zeng Lingxing , Kang Biyu , Luo Fenqiang , Fang Yixing , Zheng Cheng , Liu Junbin , Liu Renpin , Li Xinye , Chen Qinghua , Wei Mingdeng , Qian Qingrong 
Published: August 2019

AbstractSodium/potassium‐ion batteries (SIBs/PIBs) arouse intensive interest on account of the natural abundance of sodium/potassium resources, the competitive cost and appropriate redox potential. Nevertheless, the huge challenge for SIBs/PIBs lies in the scarcity of an anode material with high capacity and stable structure, which are capable of accommodating large‐size ions during cycling. Furthermore, using sustainable natural biomass to fabricate electrodes for energy storage applications is a hot topic. Herein, an ultra‐small few‐layer nanostructured MoSe2 embedded on N, P co‐doped bio‐carbon is reported, which is synthesized by using chlorella as the adsorbent and precursor. As a consequence, the MoSe2/NP‐C‐2 composite represents exceedingly impressive electrochemical performance for both sodium‐ion batteries (SIBs) and potassium‐ion batteries (PIBs). It displays a promising reversible capacity (523 mAh g−1 at 100 mA g−1 after 100 cycles) and impressive long‐term cycling performance (192 mAh g−1 at 5 A g−1 even after 1000 cycles) in SIBs, which are some of the best properties of MoSe2‐based anode materials for SIBs to date. To further probe the great potential applications, full SIBs pairing the MoSe2/NP‐C‐2 composite anode with a Na3V2(PO4)3 cathode also exhibits a satisfactory capacity of 215 mAh g−1 at 500 mA g−1 after 100 cycles. Moreover, it also delivers a decent reversible capacity of 131 mAh g−1 at 1 A g−1 even after 250 cycles for PIBs.
Isolation of Carbene‐Stabilized Arsenic Monophosphide [AsP] and its Radical Cation [AsP]+. and Dication [AsP]2+
Authors: Doddi Adinarayana , Bockfeld Dirk , Zaretzke Marc‐Kevin , Bannenberg Thomas , Tamm Matthias 
Published: August 2019

AbstractArsenic monophosphide (AsP) species supported by two different N‐heterocyclic carbenes were prepared by reaction of (IDipp)PSiMe3 (1) (IDipp=1,3‐bis(2,6‐diisopropylphenyl)imidazolin‐2‐ylidene) with (IMes)AsCl3 (2) (IMes=1,3‐bis(2,4,6‐trimethylphenyl)imidazolin‐2‐ylidene) to afford the dichloride [(IMes)As(Cl)P(IDipp)]Cl (3), which upon reduction with KC8 furnished heteroleptic [(IMes)AsP(IDipp)] (4). The corresponding mono‐ and dications [(IMes)AsP(IDipp)][PF6], [5]PF6, and [(IMes)AsP(IDipp)][GaCl4]2, [6][GaCl4]2, respectively, were prepared by one‐electron oxidation of 4 with ferrocenium hexafluorophosphate, [Fc]PF6, or by chloride abstraction from 3 with two equivalents of GaCl3, respectively. Compounds 4–6 represent rare examples of heterodiatiomic interpnictogen compounds, and X‐ray crystal structure determinations together with density functional theory (DFT) calculations reveal a consecutive shortening of the As−P bond lengths and increasing bond order, in agreement with the presence of an arsenic–phosphorus single bond in 4 and a double bond in 62+. The EPR signal of the cationic radical [5]+. indicates a symmetric spin distribution on the AsP moiety through strong hyperfine coupling with the 75As and 31P nuclei.
Morphological and molecular motifs of fibrosing pulmonary injury patterns
Authors: Jonigk Danny , Stark Helge , Braubach Peter , Neubert Lavinia , Shin Hoen‐oh , Izykowski Nicole , Welte Tobias , Janciauskiene Sabina , Warnecke Gregor , Haverich Axel , Kuehnel Mark , Laenger Florian 
Published: August 2019

AbstractInterstitial lung diseases encompass a large number of entities, which are characterised by a small number of partially overlapping fibrosing injury patterns, either alone or in combination. Thus, the presently applied morphological diagnostic criteria do not reliably discriminate different interstitial lung diseases. We therefore analysed critical regulatory pathways and signalling molecules involved in pulmonary remodelling with regard to their diagnostic suitability. Using laser‐microdissection and microarray techniques, we examined the expression patterns of 45 tissue‐remodelling associated target genes in remodelled and non‐remodelled tissue samples from patients with idiopathic pulmonary fibrosis/usual interstitial pneumonia (IPF/UIP), non‐specific interstitial pneumonia (NSIP), organising pneumonia (OP) and alveolar fibroelastosis (AFE), as well as controls (81 patients in total). We found a shared usage of pivotal pathways in AFE, NSIP, OP and UIP, but also individual molecular traits, which set the fibrosing injury patterns apart from each other and correlate well with their specific morphological aspects. Comparison of the aberrant gene expression patterns demonstrated that (1) molecular profiling in fibrosing lung diseases is feasible, (2) pulmonary injury patterns can be discriminated with very high confidence on a molecular level (86–100% specificity) using individual gene subsets and (3) these findings can be adapted as suitable diagnostic adjuncts.
Cobalt‐Tungsten Bimetallic Carbide Nanoparticles as Efficient Catalytic Material for High‐Performance Lithium–Sulfur Batteries
Authors: Zhao Pengfei , Zhang Ze , He Haoxuan , Yu Yinghui , Li Xiao , Xie Weicheng , Yang Zhenyu , Cai Jianxin 
Published: August 2019

AbstractLithium–sulfur (Li–S) batteries are promising candidates for next‐generation energy storage devices owing to their advantages such as high theoretical specific capacity and energy density. However, the shuttle effect of polysulfide intermediates and the slow electrochemical kinetics have a severe passive effect on the cycling stability and rate performance. A Co3W3C@C composite was prepared through a simple one‐pot pyrolysis method and used as a modifying layer on a commercial separator. The obtained modified separator not only prevented the shuttle effect through both strong chemical interaction and a physical barrier toward polysulfides, but also acted as a catalytic membrane to catalyze the electrochemical redox of active sulfur species. By employing the coated separator, the cathode with 60 wt % sulfur delivered a high initial capacity of 1345 mAh g−1 at 0.1 A g−1, excellent rate performance with a high capacity of 670 mAh g−1 even at 7 A g−1, and outstanding cycle performance with a low decay rate of 0.06 % per cycle and an average Coulombic efficiency of 99.3 % within 500 cycles at 1 A g−1. Even at a sulfur loading of 3 mg cm−1, a high initial capacity of 869 mAh g−1 and 632 mAh g−1 after 200 cycles at 1 A g−1 were obtained. The results demonstrate the advantages of Co–W bimetallic carbide in preventing the shuttle effect and promoting the redox kinetics for high performance Li–S batteries.
Cytological diagnosis of juvenile xanthogranuloma: A rare histiocytic disorder
Authors: Chauhan Shivangi , Diwaker Preeti , Singh Aakanksha , Gogoi Priyanka , Arora Vinod K. 
Published: August 2019

AbstractJuvenile xanthogranuloma (JXG) is a rare type of non‐Langerhan cell histiocytic disorder, which is mostly confined to skin of head and neck. It is a self‐limiting benign condition, which does not require surgery. We present a case of 8‐month‐old girl child with multiple yellowish brown colored papules over scalp, face, and neck. A clinical diagnosis of cutaneous mastocytosis was made. Fine‐needle aspiration cytology (FNAC) smears showed foamy macrophages along with mixed inflammatory infiltrate and few touton giant cells. A diagnosis of JXG was rendered which was confirmed on histopathology and immunohistochemistry.Juvenile xanthogranuloma can be diagnosed on FNAC based on its characteristic cytologic features; however, it requires a high index of suspicion by cytopathologist. Cytological diagnosis of JXG can save the patient from unnecessary surgical biopsy or excision.
High‐definition transcranial direct current stimulation in anorexia nervosa: A pilot study
Authors: Phillipou Andrea , Kirkovski Melissa , Castle David J. , Gurvich Caroline , Abel Larry A. , Miles Stephanie , Rossell Susan L. 
Published: August 2019

AbstractObjectiveAnorexia nervosa (AN) is a serious psychiatric condition often associated with poor outcomes. Biologically informed treatments for AN, such as brain stimulation, are lacking, in part due to the unclear nature of the neurobiological contributions to the illness. However, recent research has suggested a specific neurobiological target for the treatment of AN, namely stimulation of the inferior parietal lobe (IPL). The aim of this study was to stimulate—noninvasively—the left IPL in individuals with AN using high‐definition transcranial direct current stimulation (HD‐tDCS).MethodTwenty participants will be randomized to receive 10 daily sessions of HD‐tDCS or sham HD‐tDCS (placebo). Assessments will be carried out at baseline and end point, as well as 4‐ and 12‐week follow‐ups.DiscussionThis pilot investigation will primarily determine the feasibility and acceptability of this intervention.
Dynamic changes in DNA methylation during embryonic and postnatal development of an altricial wild bird
Authors: Watson Hannah , Salmón Pablo , Isaksson Caroline 
Published: August 2019

AbstractDNA methylation could shape phenotypic responses to environmental cues and underlie developmental plasticity. Environmentally induced changes in DNA methylation during development can give rise to stable phenotypic traits and thus affect fitness. In the laboratory, it has been shown that the vertebrate methylome undergoes dynamic reprogramming during development, creating a critical window for environmentally induced epigenetic modifications. Studies of DNA methylation in the wild are lacking, yet are essential for understanding how genes and the environment interact to affect phenotypic development and ultimately fitness. Furthermore, our knowledge of the establishment of methylation patterns during development in birds is limited. We quantified genome‐wide DNA methylation at various stages of embryonic and postnatal development in an altricial passerine bird, the great tit Parus major. While, there was no change in global DNA methylation in embryonic tissue during the second half of embryonic development, a twofold increase in DNA methylation in blood occurred between 6 and 15 days posthatch. Though not directly comparable, DNA methylation levels were higher in the blood of nestlings compared with embryonic tissue at any stage of prenatal development. This provides the first evidence that DNA methylation undergoes global change during development in a wild bird, supporting the hypothesis that methylation mediates phenotypic development. Furthermore, the plasticity of DNA methylation demonstrated during late postnatal development, in the present study, suggests a wide window during which DNA methylation could be sensitive to environmental influences. This is particularly important for our understanding of the mechanisms by which early‐life conditions influence later‐life performance. While, we found no evidence for differences in genome‐wide methylation in relation to habitat of origin, environmental variation is likely to be an important driver of variation in methylation at specific loci.
The Bellerophon pipeline, improving de novo transcriptomes and removing chimeras
Authors: Kerkvliet Jesse , de Fouchier Arthur , van Wijk Michiel , Groot Astrid Tatjana 
Published: August 2019

AbstractTranscriptome quality control is an important step in RNA‐Seq experiments. However, the quality of de novo assembled transcriptomes is difficult to assess, due to the lack of reference genome to compare the assembly to. We developed a method to assess and improve the quality of de novo assembled transcriptomes by focusing on the removal of chimeric sequences. These chimeric sequences can be the result of faulty assembled contigs, merging two transcripts into one. The developed method is incorporated into a pipeline, which we named Bellerophon, that is broadly applicable and easy to use. Bellerophon first uses the quality assessment tool TransRate to indicate the quality, after which it uses a transcripts per million (TPM) filter to remove lowly expressed contigs and CD‐HIT‐EST to remove highly identical contigs. To validate the quality of this method, we performed three benchmark experiments: (1) a computational creation of chimeras, (2) identification of chimeric contigs in a transcriptome assembly, (3) a simulated RNA‐Seq experiment using a known reference transcriptome. Overall, the Bellerophon pipeline was able to remove between 40% and 91.9% of the chimeras in transcriptome assemblies and removed more chimeric than nonchimeric contigs. Thus, the Bellerophon sequence of filtration steps is a broadly applicable solution to improve transcriptome assemblies.