bluuebunny/crossref_metadata_2025_split huggingface dataset:
Conversion of γ‐Valerolactone to Ethyl Valerate over Metal Promoted Ni/ZSM‐5 Catalysts: Influence of Ni0/Ni2+ Heterojunctions on Activity and Product Selectivity
Authors: Velisoju Vijay Kumar , Jampaiah Deshetti , Gutta Naresh , Bentrup Ursula , Brückner Angelika , Bhargava Suresh K. , Akula Venugopal 
Published: December 2019

AbstractPromoter (Cr, Mo and W) modified Ni/ZSM‐5 catalysts were explored in the vapor phase conversion of γ‐valerolactone (GVL) to ethyl valerate (EV; gasoline blender) at atmospheric pressure. Among the three different promoters (Cr, Mo and W) tested the Mo‐modified catalyst was found to be the best candidate. In addition, this catalyst was found to be stable up to 50 h reaction time with an insignificant decrease in activity. The good catalytic performance is related to an optimal ratio of acid and hydrogenation functions provided by Ni2+ and Ni0, respectively. In situ FTIR spectroscopic studies revealed a strong adsorption of GVL on all catalysts which quickly reacts with dosed ethanol by formation of EV, most pronounced on the Mo‐modified catalyst, while VA was identified as side product. These findings suggest the preferred GVL ring opening by cracking the C−O bond on the methyl side of the GVL molecule on this type of catalysts leading to pentenoic acid as intermediate, which is quickly hydrogenated and esterified.
Electrochemical Collisions of Individual Graphene Oxide Sheets: An Analytical and Fundamental Study
Authors: Renault Christophe , Lemay Serge G. 
Published: December 2019

AbstractWe propose an analytical method based on electrochemical collisions to detect individual graphene oxide (GO) sheets in an aqueous suspension. The collision rate is found to exhibit a complex dependence on redox mediator and supporting electrolyte concentrations. The analysis of multiple collision events in conjunction with numerical simulations allows quantitative information to be extracted, such as the molar concentration of GO sheets in suspension and an estimate of the size of individual sheets. We also evidence by numerical simulation the existence of edge effects on a 2D blocking object.
Selenated and Sulfurated Analogues of Triacyl Glycerols: Selective Synthesis and Structural Characterization
Authors: Tanini Damiano , D'Esopo Veronica , Tatini Duccio , Ambrosi Moira , Lo Nostro Pierandrea , Capperucci Antonella 
Published: December 2019

AbstractThe synthesis of sulfur‐ and selenium‐containing isosters of triacyl glycerols is herein described. Regioselective fluoride‐induced ring‐opening reaction of suitable substituted thiiranes with bis(trimethyl)silyl selenide, followed by in situ S‐ and Se‐acylation with fatty acid acyl chlorides, enables the one pot synthesis of mixed chalcogeno esters in good yield. The key step of this methodology is the functionalization of S−Si and Se−Si bonds of silyl chalcogenides, generated in situ under mild conditions. A related procedure for the synthesis of functionalized selenides, bearing two thiol ester and two ester moieties, was also developed through a fine tuning of the reaction conditions. The physico‐chemical properties of these novel fatty acid chalcogeno esters have been investigated through DSC, SAXS, WAXS, FTIR and polarized optical microscopy, and compared to those of the common triglycerides in order to highlight the effect of the replacement of oxygen with other chalcogen elements in the polar head of the lipid.
Improved Photostability of a CuI Complex by Macrocyclization of the Phenanthroline Ligands
Authors: Brandl Thomas , Kerzig Christoph , Le Pleux Loïc , Prescimone Alessandro , Wenger Oliver S. , Mayor Marcel 
Published: December 2019

AbstractThe development of molecular materials for conversion of solar energy into electricity and fuels is one of the most active research areas, in which the light absorber plays a key role. While copper(I)‐bis(diimine) complexes [CuI(L)2]+ are considered as potent substitutes for [RuII(bpy)3]2+, they exhibit limited structural integrity as ligand loss by substitution can occur. In this article, we present a new concept to stabilize copper bis(phenanthroline) complexes by macrocyclization of the ligands which are preorganized around the CuI ion. Using oxidative Hay acetylene homocoupling conditions, several CuI complexes with varying bridge length were prepared and analyzed. Absorption and emission properties are assessed; rewardingly, the envisioned approach was successful since the flexible 1,4‐butadiyl‐bridged complex does show enhanced MLCT absorption and emission, as well as improved photostability upon irradiation with a blue LED compared to a reference complex.
Additional‐Heating‐Enhanced Large‐Scale Metallic Molybdenum Disulfide Nanosheet Exfoliation for Free‐Standing Films and Flexible High‐Performance Supercapacitors
Authors: Li Jiahui , Yang Xinyu , Shi Qiuwei , Gao Peng , Hou Chengyi , Zhang Qinghong , Li Yaogang , Wang Hongzhi 
Published: December 2019

AbstractOctahedral metal phase molybdenum disulfide (1T‐MoS2) shows excellent capacitive behaviour by storing charge via double layers over individual two‐dimensional (2D) layers and through Faradaic reactions on the Mo centre because of its multiple oxidation states. In this study, we fabricate a free‐standing film based on large‐scale 1T‐MoS2 nanosheets and use it as an electrode for a flexible supercapacitor without any additives. The resulting free‐standing electrodes have a layered structure, hydrophilicity and high electrical conductivity, which are beneficial for electrolyte accessibility and fast ions transport. The specific volumetric capacitance of this pure 1T‐MoS2‐based electrode is up to 407.1 F ⋅ cm−3 (the corresponding mass and area capacitance were 26.1 F ⋅ g−1 and 184.8 mF ⋅ cm−2, respectively). The all‐solid‐state 1T‐MoS2 based supercapacitor shows extended stability (92.8% retention after 12, 000 cycles), high flexibility (only 12% drop after bending 180 degrees for 100 cycles) and bending cycling stability (86.2% retention after in‐situ bending 1500 times).
Filgotinib, a JAK1 Inhibitor, Has No Effect on QT Interval in Healthy Subjects
Authors: Anderson Kacey , Xin Yan , Zheng Hao , Yun Chohee , Kwan Ellen , Qin Ann , Namour Florence , Kearney Brian P. , Mathias Anita 
Published: December 2019

AbstractFilgotinib, a selective inhibitor of Janus kinase 1, is being developed for the treatment of chronic inflammatory diseases. Electrocardiograms evaluated the effect of filgotinib on the corrected QT (QTc) interval in 52 healthy subjects who received each of 4 treatments: filgotinib 200 mg (therapeutic dose), 450 mg (supratherapeutic dose), and placebo, each administered once daily for 7 days, and a single dose of moxifloxacin 400 mg (positive control). Plasma samples were collected for pharmacokinetic analysis. The QTc interval was calculated using Fridericia's correction factor (QTcF) or an individual correction factor (QTcI). The relationship between plasma concentrations of filgotinib and its major metabolite and time‐matched, baseline‐adjusted, placebo‐corrected QTc (ΔΔQTc) was evaluated. Filgotinib did not prolong QTcF or QTcI and using an appropriate mixed‐effect model, the upper limit of the 2‐sided 90% confidence interval for ΔΔQTc for each filgotinib dose (200 and 450 mg) remained below 10 milliseconds at all postdose time points. There were no clinically relevant relationships between QTc interval and plasma concentrations of filgotinib or its major metabolite. Filgotinib, administered at 200 or 450 mg, was generally well tolerated. Results of this thorough QT study demonstrate that filgotinib and its major metabolite are not associated with QTc interval prolongation.
Analysis of Protein‐Protein Interactions by Split Luciferase Complementation Assay
Authors: Lang Yuekun , Li Zhong , Li Hongmin 
Published: December 2019

AbstractProtein‐protein interactions are important in human disease. Developing and refining tools to understand physical contacts between signaling proteins is crucial. This article describes a split luciferase complementation (SLC) method designed to discover inhibitors of protein‐protein interaction. Different fusion proteins with split luciferase are constructed, expressed, and purified, and then assessed to determine the best pair that generates the strongest luminescence. SLC specificity and affinity are further confirmed. Step‐by‐step instructions are provided for performing these assays using the NS2B‐NS3 interaction as an example. NS2B is an essential cofactor for flaviviral NS3 protease function. Advantages and disadvantages of these assays are further discussed. © 2019 by John Wiley & Sons, Inc.Basic Protocol 1: Expression and purification of fusion proteinsBasic Protocol 2: Analysis of prey/bait pairs by SLC‐based NS2B‐NS3 interaction assaySupport Protocol 1: Interaction specificity assaySupport Protocol 2: Competition binding assay: Dose‐response inhibition using cold prey or baitSupport Protocol 3: Competition binding assay: Inhibition by MBP‐NS3 versus irrelevant MBP tagSupport Protocol 4: SLC‐based NS2B‐NS3 interaction assay using NS2B mutations known to disrupt NS2B‐NS3 interactions
Superhydrophilic and Oleophobic Porous Architectures Based on Basalt Fibers as Oil‐Repellent Photothermal Materials for Solar Steam Generation
Authors: Chen Lihua , Xia Miaomiao , Du Jianbin , Luo Xiaofang , Zhang Lu , Li An 
Published: December 2019

AbstractThe construction of efficient solar steam generation systems is of great importance for a range of purposes, such as desalination, distillation, and sterilization. In this study, superhydrophilic and oleophobic porous architectures are prepared by carbonization of a mixture of basalt fibers and tissue paper (BFT) followed by an oleophobic modification (O‐BFT) to form oil‐repellent photothermal materials for efficient solar steam generation. The as‐prepared O‐BFT shows high porosity, superior light absorption, and good thermal insulation (thermal conductivity=0.371 Wm−1 K−1). Correspondingly, a high solar energy conversion efficiency of 90 % is achieved with 1 sun irradiation. Its strong oleophobic wettability endows it with excellent oil‐repellent ability. Therefore, a high energy conversion efficiency of 81 % in oily water was obtained with 1 sun irradiation, whereas the unmodified BFT only shows a low energy conversion efficiency of 26 % because of severe oil contamination, which significantly blocks water evaporation. These unique features of O‐BFT makes enable efficient solar steam generation even in oily wastewater, showing great advantages over reported photothermal materials that display poor antifouling performance, which in turn largely extends its application range for practical solar steam generation.
MnO2 Nanosheet‐Assembled Hollow Polyhedron Grown on Carbon Cloth for Flexible Aqueous Zinc‐Ion Batteries
Authors: Wu Fangfang , Gao Xiaobin , Xu Xilian , Jiang Yani , Gao Xinlong , Yin Ruilian , Shi Wenhui , Liu Wenxian , Lu Gang , Cao Xiehong 
Published: December 2019

AbstractAqueous zinc‐ion batteries (ZIBs) have been considered as prospective alternatives for lithium‐ion batteries, which are able to serve as power sources for next‐generation wearable and flexible devices, owing to the merits of abundant zinc resources and high safety of aqueous electrolyte. However, the lack of suitable cathode materials with flexibility for ZIBs hinders their further application. Herein, a novel cathode material [i.e., MnO2 nanosheet‐assembled hollow polyhedron anchored on carbon cloth (MnO2/CC)] was prepared through a rapid hydrothermal method by using ZIF‐67 as self‐sacrificing template. When tested in an aqueous ZIB, the MnO2/CC delivered a high reversible capacity of 263.9 mAh g−1 at 1.0 A g−1 after 300 cycles, far exceeding those of the commercial MnO2 electrode. More importantly, benefiting from the unique structural advantages, a flexible ZIB assembled based on the MnO2/CC displayed a stable output voltage of 1.53 V and a specific capacity of 91.7 mAh g−1 at 0.1 A g−1 after 30 cycles. It also successfully lit LED bulbs even under different bending angles, showing good flexibility. This research contributes to the development of MnO2‐based cathode materials for high‐performance flexible ZIBs.
A cloud service composition method using a trust‐based clustering algorithm and honeybee mating optimization algorithm
Authors: Zanbouri Kouros , Jafari Navimipour Nima 
Published: December 2019

SummaryOne of the most critical issues in using service‐oriented technologies is the combination of services, which has become an important challenge in the present. There are some significant challenges in the service composition, most notable is the quality of service (QoS), which is more challenging due to changing circumstances in dynamic service environments. Also, trust value in the case of selection of more reliable services is another challenge in the service composition. Due to NP‐hard complexity of service composition, many metaheuristic algorithms have been used so far. Therefore, in this paper, the honeybee mating optimization algorithm as one of the powerful metaheuristic algorithms is used for achieving the desired goals. To improve the QoS, inspirations from the mating stages of the honeybee, the interactions between honeybees and queen bee mating and the selection of the new queen from the relevant optimization algorithm have been used. To address the trust challenge, a trust‐based clustering algorithm has also been used. The simulation results using C# language have shown that the proposed method in small scale problem acts better than particle swarm optimization algorithm, genetic algorithm, and discrete gbest‐guided artificial bee colony algorithm. With the clustering and reduction of the search space, the response time is improved; also, more trusted services are selected. The results of the simulation on a large‐scale problem have indicated that the proposed method is exhibited worse performance than the average results of previous works in computation time.
Metacommunity theory for transmission of heritable symbionts within insect communities
Authors: Brown Joel J. , Mihaljevic Joseph R. , Des Marteaux Lauren , Hrček Jan 
Published: December 2019

AbstractMicrobial organisms are ubiquitous in nature and often form communities closely associated with their host, referred to as the microbiome. The microbiome has strong influence on species interactions, but microbiome studies rarely take interactions between hosts into account, and network interaction studies rarely consider microbiomes. Here, we propose to use metacommunity theory as a framework to unify research on microbiomes and host communities by considering host insects and their microbes as discretely defined “communities of communities” linked by dispersal (transmission) through biotic interactions. We provide an overview of the effects of heritable symbiotic bacteria on their insect hosts and how those effects subsequently influence host interactions, thereby altering the host community. We suggest multiple scenarios for integrating the microbiome into metacommunity ecology and demonstrate ways in which to employ and parameterize models of symbiont transmission to quantitatively assess metacommunity processes in host‐associated microbial systems. Successfully incorporating microbiota into community‐level studies is a crucial step for understanding the importance of the microbiome to host species and their interactions.
Ecological influence of addition of antioxidant and incorporation of selective catalytic reduction on NO emission in off‐road engines powered by waste plastic oil blend
Authors: Gnanasikamani Balaji , Bharathy Sachuthananthan , K Suresh Kumar , Marimuthu Cheralathan 
Published: December 2019

AbstractAccumulation of waste plastics and their disposal have been a perennial problem across the globe and conversion of waste plastic into useful fuel could solve the global problems of environmental pollution and fast depletion of fossil reserves. Emissions control in internal combustion engines can be achieved through fuel modification, engine modification, or by tailpipe gas treatment. The concept of tailpipe gas treatment is comparatively easier owing to a little or no engine modification requirement and one among them is selective catalytic reduction (SCR). In the present study, an attempt has been made to control NO emission of a plastic oil‐fuelled CI engine through fuel modification as well as exhaust after‐treatment technique. Waste plastics have been converted to plastic oil (PO) through pyrolysis process and investigation has been carried out in a four‐stroke, mono barrel diesel engine fueled with diesel‐PO blend (50:50), added with antioxidant phenylenediamine. The engine is incorporated with the SCR technique through the injection of water urea solution in the tailpipe at 0.2 lit/min to examine the engine performance and NO and other emissions reduction potential. The test results revealed that oil generated through waste plastic could be a good substitute to fossil diesel, and the combined effect of antioxidant addition and incorporation of the SCR technique is very effective in reducing NO emission to the tune of 66% without much compromise in the engine brake thermal efficiency.
Experimental study on the vertical temperature distribution of window ejected fire from an enclosure with adjacent side walls
Authors: Xu Tong , He Qing , Tang Fei , Lei Peng , Pang Huanping 
Published: December 2019

SummaryThis paper measured and analyzed the vertical temperature profile of window ejected fire from a cubic enclosure with the effect of adjacent parallel sidewalls. A cubic enclosure size is 0.4 m (height) × 0.4 m (width) × 0.4 m (length). And two side walls were fixed on the both side of the compartment openings, its distance can be changed. K‐Type thermocouples (T1‐T4) were installed in the inside compartment (inner and outer corner), the vertical position along the façade wall and the center of side wall, respectively. It is found that the side wall distance was independent of the temperature distribution inside the enclosure when the opening size changed from 0.2 m to infinity, and the vertical temperature profile along the side wall significantly increased with the decrease of the separation distances of two sidewalls. A dimensionless correlation was proposed to describe the vertical temperature along the facade wall for various side wall separation dimensions. The new findings and the proposed dimensionless correlation provide basic knowledge for describing vertical temperature along the facade wall.
Factors associated with the timing of abortions
Authors: Gonzalez Fidel , Quast Troy , Venanzi Alex 
Published: December 2019

AbstractThe timing of an abortion (often measured as gestational age) can have important effects on the woman's physical health and on the cost of the procedure. To the authors' knowledge, there has been only one national analysis of the factors associated with the gestational age at abortion, but it employed data from over 20 years ago. The state‐specific studies that have explored abortion timing have typically examined the effects of a specific change in abortion regulations. In this study, we employ annual, state‐level data covering the 1991–2014 period that measure the frequency of abortions by gestational age. We regress these measures of abortion utilization on policy, economic, demographic, and health care infrastructure characteristics. The estimates indicate that the introduction of state restrictions on Medicaid funding of abortions is associated with a 13% increase in the rate of abortions after the first trimester. We do not find a statistically significant association between parental involvement laws and the rate or percentage of post‐first‐trimester abortions.
Hippocampal state transitions at the boundaries between trial epochs
Authors: Bulkin David A. , Sinclair David G. , Law L. Matthew , Smith David M. 
Published: December 2019

AbstractThe hippocampus encodes distinct contexts with unique patterns of activity. Representational shifts with changes in context, referred to as remapping, have been extensively studied. However, less is known about transitions between representations. In this study, we leverage a large dataset of neuronal recordings taken while rats performed an olfactory memory task with a predictable temporal structure involving trials and intertrial intervals (ITIs), separated by salient boundaries at the trial start and trial end. We found that trial epochs were associated with stable hippocampal representations despite moment‐to‐moment variability in stimuli and behavior. Representations of trial and ITI epochs were far more distinct than spatial factors would predict and the transitions between the two were abrupt. The boundary was associated with a large spike in multiunit activity, with many individual cells specifically active at the start or end of each trial. Both epochs and boundaries were encoded by hippocampal populations, and these representations carried information on orthogonal axes readily identified using principal component analysis. We suggest that the hippocampus orthogonalizes representations of the trial and ITI epochs and the activity spike at trial boundaries might serve to drive hippocampal activity from one stable state to the other.
How does the availability and use of flexible leave influence the employer–employee relationship?
Authors: White Leroy , Lockett Andy , Currie Graeme 
Published: December 2019

AbstractIn this article, we develop, and empirically test, a moderated mediation model of the effects of flexible leave on employees' organizational attachment. Drawing on a social exchange framework and signaling theory, we explore how the material and non‐material nature of exchange between the employer and employee shapes their relationship. First, we show that the relationship between the availability of flexible leave and organizational attachment is shaped by two competing mediators, perceived organizational support (POS) and perceived flexibility stigma. Second, we delineate between availability and use of the policy, to show how the effect of POS is enhanced and perceived flexibility stigma reduced, with use. Our findings demonstrate that the relationship between the availability of flexible leave and organizational attachment is complex, but is enhanced through use of flexible leave. We contribute toward HRM scholarship about the relationship between employees' experience of HR practices and their corresponding impact on employees' subsequent behavior.
Possible abscopal effect in urothelial carcinoma of the upper urinary tract after treatment with immune checkpoint inhibitors
Authors: Ishiyama Yudai , Takagi Toshio , Yoshida Kazuhiko , Iizuka Junpei , Kakuta Yoichi , Okumi Masayoshi , Ishida Hideki , Tanabe Kazunari 
Published: December 2019

IntroductionRegression of non‐irradiated metastatic lesions after radiation therapy is known as the abscopal effect. We report a case of urothelial carcinoma in which the abscopal effect was possibly observed after immune checkpoint inhibitor administration.Case presentationA 68‐year‐old woman diagnosed with left renal pelvic cancer underwent total nephroureterectomy and regional lymph node dissection. Eight months later, imaging studies detected local recurrence and paraaortic lymph node metastasis. The tumor progressed despite cisplatin + gemcitabine, pembrolizumab, and gemcitabine + docetaxel therapy. Radiation therapy was administered to a painful back lesion, which resulted in dramatic symptom relief. Computed tomography 2 months after radiation therapy indicated reduced size of the irradiated lesion and some non‐irradiated lymph nodes.ConclusionCombined radiation therapy and immune checkpoint inhibitors can provide additional benefits for certain cancers, possibly due to negative immunomodulatory response blockade. Thus, this combined therapy may be a new metastatic urothelial carcinoma treatment strategy.