bluuebunny/crossref_metadata_2025_split huggingface dataset:
Kinetic Isotope Effect as a Tool To Investigate the Oxygen Reduction Reaction on Pt‐based Electrocatalysts – Part I: High‐loading Pt/C and Pt Extended Surface
Authors: George Thomas Y. , Asset Tristan , Avid Arezoo , Atanassov Plamen , Zenyuk Iryna V. 
Published: January 2020

AbstractKinetic isotope effect (KIE) was used to study the rate‐determining step for oxygen reduction reaction (ORR) on dispersed Pt/C electrocatalyst and polycrystalline Pt (Pt‐poly). KIE is defined as the ratio of the kinetic current measured in protonated electrolyte versus deuterated electrolyte, with KIE values larger than one indicating proton participation in the rate‐determining step. The effect of poisoning anions on the platinum rate determining step is investigated by assessing the KIE in perchloric (non‐poisoning) and sulfuric acid‐based electrolytes. The kinetics currents were calculated using the Koutechy‐Levich and Tafel analysis. A KIE of 1 was observed for Pt/C (with a 40 wt.% Pt loading) and Pt‐poly, thus indicating that, on 40 wt. % Pt/C and Pt‐poly, the rate determining step is proton independent.
Variations in seasonal (not mean) temperatures drive rapid adaptations to novel environments at a continent scale
Authors: Tourneur Jean‐Claude , Meunier Joël 
Published: January 2020

AbstractThe recent development of human societies has led to major, rapid, and often inexorable changes in the environment of most animal species. Over the last decades, a growing number of studies formulated predictions on the modalities of animal adaptation to novel or changing environments, questioning how and at what speed animals should adapt to such changes, discussing the levels of risks imposed by changes in the mean and/or variance of temperatures on animal performance, and exploring the underlying roles of phenotypic plasticity and genetic inheritance. These fundamental predictions, however, remain poorly tested using field data. Here, we tested these predictions using a unique continental‐scale data set in the European earwigForficula auriculariaL., a univoltine insect introduced in North America one century ago. We conducted a common garden experiment, in which we measured 13 life‐history traits in 4,158 field‐sampled earwigs originating from 19 populations across North America. Our results first demonstrate that 10 of the 13 measured life‐history traits are associated with two sets of variations in seasonal temperatures, that is, winter–summer and autumn–spring. We found, however, no association with the overall mean monthly temperatures of the invaded locations. Furthermore, our use of a common garden setup reveals that the observed patterns of variation in earwigs’ life‐history traits are not mere plastic responses to their current environment, but are either due to their genetic background and/or to the environmental conditions they experienced during early life development. Overall, these findings provide continent‐scale support to the claims that adaptation to thermal changes can occur quickly (in less than 100 generations), even in insects with long life cycles, and emphasize the importance of variation in seasonal temperature over mean population temperatures in climate adaptation.
Kin discrimination, negative relatedness, and how to distinguish between selfishness and spite
Authors: Patel Matishalin , West Stuart A. , Biernaskie Jay M. 
Published: January 2020

AbstractSpiteful behaviors occur when an actor harms its own fitness to inflict harm on the fitness of others. Several papers have predicted that spite can be favored in sufficiently small populations, even when the harming behavior is directed indiscriminately at others. However, it is not clear that truly spiteful behavior could be favored without the harm being directed at a subset of social partners with relatively low genetic similarity to the actor (kin discrimination, causing a negative relatedness between actor and harmed recipient). Using mathematical models, we show that (1) the evolution of spite requires kin discrimination; (2) previous models suggesting indiscriminate spite involve scenarios where the actor gains a direct feedback benefit from harming others, and so the harming is selfish rather than spiteful; (3) extreme selfishness can be favored in small populations (or, more generally, under local competition) because this is where the direct feedback benefit of harming is greatest.
Cholesky–ANN models for predicting multivariate realized volatility
Authors: Bucci Andrea 
Published: January 2020

AbstractAccurately forecasting multivariate volatility plays a crucial role for the financial industry. The Cholesky–artificial neural networks specification here presented provides a twofold advantage for this topic. On the one hand, the use of the Cholesky decomposition ensures positive definite forecasts. On the other hand, the implementation of artificial neural networks allows us to specify nonlinear relations without any particular distributional assumption. Out‐of‐sample comparisons reveal that artificial neural networks are not able to strongly outperform the competing models. However, long‐memory detecting networks, like nonlinear autoregressive model process with exogenous input and long short‐term memory, show improved forecast accuracy with respect to existing econometric models.
Molecular Formation upon Ionization of van der Waals Clusters and Implication to Astrochemistry
Authors: Stein Tamar , Jose Jeeno 
Published: January 2020

AbstractThe presence and formation of a large variety of organic molecules in the interstellar medium is evident from both astronomical data of absorption and emission bands at different regions of the spectrum. Specifically, polycyclic aromatic hydrocarbons (PAHs) are ubiquitous in the interstellar medium (ISM). The mechanism for their formation in ISM‘s low temperature environment is, as of yet, a mystery nonetheless. Understanding the mechanism of formation of complex molecules such as PAHs and nitrogen‐based PAHs (PANH) in the ISM is a long‐standing challenge which has been drawing a growing attention for the past several decades. In this review we wish to emphasize two things: Firstly, the essential role quantum chemistry can play in the study of astrochemical reactions. Secondly, we wish to demonstrate that said variety of possibilities for chemical reaction, starting upon ionization of van der Waals clusters. The potential for different chemical reactions to occur within a cluster environment arises from the fact that such processes can take place at low temperatures as the systems pose large amounts of energy upon ionization. Moreover, the spectator molecules in the cluster can provide a dissipation route for energy by detachment from the cluster, thus the system can stabilize efficiently even at low densities. The spectator molecules can also change the potential energy surface, by which it will pose a catalytic effect for certain reactions. We will demonstrate this by presenting Ab Initio Molecular Dynamic results on ionization of small acetylene clusters.
Thermal coupled extractive distillation sequences with three entrainers for the separation of azeotrope isopropyl alcohol + diisopropyl ether
Authors: Zhang Yi , Li Ao , Gao Jun , Xu Dongmei , Zhang Lianzheng , Zhang Zhishan , Wang Yinglong 
Published: January 2020

AbstractBACKGROUNDDuring the synthesis of isopropyl alcohol (IPA) by hydration of propylene, diisopropyl ether (DIPE) is usually produced as a by‐product. Because IPA and DIPE can form a binary homogeneous azeotrope with the minimum boiling temperature at atmospheric pressure, it is difficult to separate the binary mixture by simple distillation.RESULTFor separating the azeotrope IPA + DIPE, side‐stream extractive distillation column (SSED) and extractive dividing wall column (EDWC) processes with three entrainers [2‐methoxyethanol (2‐MEA), 2‐ethoxyethanol and propylene glycol ethyl ether (PGEE)] were simulated and optimized based on the minimal total annual cost (TAC). Moreover, CO2 emissions of the six sequences were calculated and the impact on the environment evaluated.CONCLUSIONSThe sequence of SSED with PGEE as entrainer can reduce TAC by ≤34.48%, but EDWC with PGEE can offer TAC reduction of ≤52.46%. The results demonstrate that the EDWC sequence with PGEE as entrainer is favourable for separating the binary azeotrope IPA + DIPE. © 2020 Society of Chemical Industry
Tail‐drain sediments are a potential hotspot for nitrous oxide emissions in furrow‐irrigated Vertisols used to grow cotton: A laboratory incubation study
Authors: Schwenke Graeme , Nachimuthu Gunasekhar , Mercer Clarence , McPherson Annabelle 
Published: January 2020

AbstractThe impacts of soil properties and urea fertigation on nitrous oxide (N2O) emissions from uncropped areas of furrow‐irrigated Vertisol paddocks are unknown. We sampled soils from the head‐ditch end (upslope) and sediments from the tail‐drain end (downslope) of 10 Vertisols under irrigated cotton (Gossypium hirsutum L.) production in northeastern Australia. Four replicates of each sample were incubated in open‐top polyvinyl chloride (PVC) chambers at 25 ± 2°C for 25 d. Nitrous oxide emissions were measured periodically after simulated irrigations on Days 0 and 15 with either water or, for soils, urea solution. Compared with the soils, sediments were enriched in silt, total organic carbon (TOC), total nitrogen (TN), ammonium N, and dissolved organic C (DOC) but had lower pH and sand content. Sediments emitted more N2O than soils from the same paddocks after water irrigations. Nitrous oxide fluxes varied by two orders of magnitude between paddocks, with most variation explained by baseline nitrate N, TOC, pH (inversely), and sand content. Urea solution applied to soils at 30 kg N ha−1 irrigation−1 increased N2O emitted, but more so after the second irrigation. In irrigated cotton systems, tail‐drain sediments are a potential hotspot for N2O emissions that has not previously been documented.
The cellular stress response and temperature: Function, regulation, and evolution
Authors: Somero George N. 
Published: January 2020

AbstractThe cellular stress response (CSR) is critical for enabling organisms to cope with thermal damage to proteins, nucleic acids, and membranes. It is a graded response whose properties vary with the degree of cellular damage. Molecular damage has positive, as well as negative, function‐perturbing effects. Positive effects include crucial regulatory interactions that orchestrate involvement of the different components of the CSR. Thermally unfolded proteins signal for rapid initiation of transcription of genes encoding heat shock proteins (HSPs), central elements of the heat shock response (HSR). Thermal disruption of messenger RNA (mRNA) secondary structures in untranslated regions leads to the culling of the mRNA pool: thermally labile mRNAs for housekeeping proteins are degraded by exonucleases; heat‐resistant mRNAs for stress proteins like HSPs then can monopolize the translational apparatus. Thus, proteins and RNA function as “cellular thermometers,” and evolved differences in their thermal stabilities enable rapid initiation of the CSR whenever cell temperature rises significantly above the normal thermal range of a species. Covalent DNA damage, which may result from increased production of reactive oxygen species, is temperature‐dependent; its extent may determine cellular survival. High levels of stress that exceed capacities for molecular repair can lead to proteolysis, inhibition of cell division, and programmed cell death (apoptosis). Onset of these processes may occur later in the stress period, after initiation of the HSR, to allow HSPs opportunity to restore protein homeostasis. Delay of these energy costly processes may also result from shortfalls in availability of adenosine triphosphate and reducing power during times of peak stress.
Association of metabolic syndrome and patatin‐like phospholipase 3 – rs738409 gene variant in non‐alcoholic fatty liver disease among a Chennai‐based south Indian population
Authors: Narayanasamy Krishnasamy , Karthick Rajendran , Panneerselvam Priyadarshini , Mohan Nithya , Ramachandran Arunkumar , Prakash Radhika , Rajaram Muthukumaran 
Published: January 2020

AbstractBackgroundNon‐alcoholic fatty liver disease (NAFLD) is commonly diagnosed in patients presenting with metabolic syndrome (MetS) and has been associated with single nucleotide polymorphisms of rs738409 in the patatin‐like phospholipase domain containing 3 (PNPLA3) gene. This association remains to be investigated in the South Indian population. We aimed to determine the association of the PNPLA3 rs738409 gene polymorphism with MetS and NAFLD among a Chennai‐based population.MethodsThe study comprised 105 NAFLD cases and 102 controls. All subjects were genotyped for the PNPLA3 rs738409 variant and MetS was defined according to the National Cholesterol Education Program – Adult Treatment Panel III criteria. Our case–control study showed the association of the variant with NAFLD and MetS.ResultsThe PNPLA3 rs738409 variant was associated with NAFLD and the genotype frequencies (CC/CG/GG) were 19 (18.1%), 50 (47.6%) and 36 (34.3%) in the NAFLD group and 59 (57.8%), 29 (28.4%) and 14 (13.7%) in the control group respectively. We also confirmed the interaction between the PNPLA3 rs738409 polymorphism and MetS with respect tto elevated triglyceride levels. However, an association with elevated waist circumference, fasting glucose, blood pressure and decreased high‐density lipoprotein cholesterol was not observed in the present study.ConclusionsThe PNPLA3 rs738409 gene polymorphism increases the risk of NAFLD by up to four‐fold in subjects with an elevated level of triglyceride independent of other features of MetS.
A novel scoring system for evaluating the difficulty of lysis of adhesion and surgical risk at repeat hepatectomy
Authors: Kobayashi Yuta , Shindoh Junichi , Igata Yu , Okubo Satoshi , Hashimoto Masaji 
Published: January 2020

AbstractBackgroundRepeat hepatectomy (ReHx) for recurrent hepatic malignancies reportedly provides oncological benefit for patients. However, severe adhesions at the time of ReHx may preclude safe and curative resection and there has been no reliable measure to estimate the surgical risk at ReHx. This study sought to create a new scoring system for evaluating the severity of adhesion after hepatectomy and tested its performance looking at the correlation with morbidity rate.MethodsOperative videos of 66 patients undergoing a second hepatectomy were reviewed and the difficulty levels in lysis of adhesion around the hepatic hilum (A score) and surrounding the liver (B score) were scored by two examiners and validated by two additional reviewers.ResultsVery high interobserver agreement was confirmed between the two examiners (κ value, 0.960‐0.963) and reproducibility of results were validated with weighted kappa values of >0.8 in both surgical resident and hepatobiliary surgeon. Linear correlation was confirmed between the difficulty score and postoperative morbidity rate. Multivariate analyses confirmed that previous cholecystectomy or transection of visceral surface of segment 4 or 5 was an independent factor predicting hard to extreme adhesions at the hepatic hilum regardless of the use of anti‐adhesion materials.ConclusionsThe new difficulty scoring system for the lysis of adhesion at ReHx showed good interobserver agreement and reproducibility of the results. Given the strong correlation with postoperative morbidity rate, the present score could be used for evaluating the technical difficulties in ReHx and may offer a reliable measure for estimating the efficacy of anti‐adhesion materials in future analysis.
Minimally invasive surgery for the management of major bile duct injury due to cholecystectomy
Authors: Guerra Francesco , Coletta Diego , Gavioli Manuel , Coco Danilo , Patriti Alberto 
Published: January 2020

AbstractBackgroundIn recent years there has been a growing interest in the application of minimally invasive surgery in the management of cholecystectomy‐related injury to the biliary tract. The aim of this analysis was to identify and combine the available evidence on the argument, with particular reference to major injuries to the main bile duct requiring biliodigestive anastomosis.MethodsThe PubMed/MEDLINE, Embase, and Web of Science electronic databases were queried through May 2019. Inclusion criteria considered all studies reporting detailed data about patients with bile duct injury following cholecystectomy receiving minimally invasive (both laparoscopic and robotic) surgical repair. Clinical outcomes data were pooled and analyzed.ResultsA total of 31 studies reporting on the outcomes of 218 patients were eventually included in the analysis, whereby 148 patients with type D or E injury. Of these, there were 31 patients (21%) receiving direct bile duct repair and 117 patients (79%) undergoing bilioenteric reconstruction. Among patients with major bile duct injury, postoperative morbidity was 24%, being 12% the incidence of major complications and 6% the rate of patients requiring subsequent, further surgery.ConclusionsThe absence of high‐level evidences precludes the possibility to draw definitive conclusions. However, the available data derived from a growing number of centers demonstrate that minimally invasive surgery may offer its well‐known advantages on postoperative outcomes also in the setting of severe iatrogenic injury to the bile ducts.
Green synthetic investigation and spectral characterization of some spiro pyrazolidine‐based heterocycles with potential biological activity
Authors: El‐Ossaily Yasser A. , Metwally Saoud A. , Al‐Muailkel Nayef S. , Fawzy Ahmed , Ali Hazim M. , Naffea Yousra A. 
Published: January 2020

AbstractA green, rapid, and efficient methodology is developed for the synthesis of 1‐phenyl‐3,5‐pyrazolidinedione (3) by the reaction of malonic acid with phenyl hydrazine in the presence of phosphorous oxychloride under solvent‐free conditions. The later compound 3 was used as a versatile precursor for green synthesis of chalcone derivatives (4a‐h) and spiroheterocyclic compounds (5a‐h) with good to excellent isolated yields. The chemical structures of the synthesized compounds were elucidated on the basis of elemental and spectral analyses.
Rainy season onset over Northeast China and the related atmospheric circulations
Authors: Li Xingxing , Sun Jianqi 
Published: January 2020

AbstractNortheast China is one of the major commodity crop bases in East Asia, thus, it plays an important role in regional and global food security. The transition from a dry to a wet season, that is, the beginning of the rainy season, is critical for agricultural planning in the region. In this study, the rainy season onset (RSO) dates in Northeast China are first determined based on the “anomalous accumulation” (AA) method, and the RSO‐related atmospheric circulations are then explored. The results show that the mean RSO date in Northeast China is May 13, with a standard deviation of 13 days. The RSO is related to the sudden changes in atmospheric circulations, including the weakening of the East Asian trough and the East Asian jet stream, and the northward movement of the convergence zone. The RSO dates for Northeast China show strong year‐to‐year variability. The composite difference in the atmospheric circulations between earlier and later RSO years implies that a meridional dipole pattern reflected by anomalous 500 hPa geopotential height and zonal wind over East Asia is closely related to the RSO interannual variability. This dipole pattern is accompanied by southeasterly (northwesterly) wind anomalies in the middle and low troposphere over Northeast China during the earlier (later) RSO years, consequently enhancing (weakening) moisture transportation and moist static energy over the region and thereby favouring an advanced (delayed) seasonal transition from the dry to wet season. The RSO dates revealed in this study are valuable for guiding spring sowing practices in the region.
Modal phase velocity compensation in multilayer differentially fed directional couplers
Authors: Smolarz Robert , Wincza Krzysztof , Gruszczynski Slawomir 
Published: January 2020

AbstractIn this article, we present for the first time the possibility of the modal phase velocity compensation in differentially fed directional couplers designed in inhomogeneous dielectric media. It is shown that in an appropriate, inhomogeneous dielectric structure, the equalization of even‐ and odd‐mode phase velocities propagating in such couplers can be made. The presented method has been verified experimentally by design and measurements of a fabricated coupler to show the correctness and applicability of the proposed solution. A 8‐dB differentially fed directional coupler has been designed as a edgewise structure operating at 1 GHz center frequency.
Solid‐state nuclear magnetic resonance investigation of synthetic phlogopite and lepidolite samples
Authors: Sulcek Lara , Langner Ramona , Werner‐Zwanziger Ulrike , Zwanziger Josef W. , Martineau‐Corcos Charlotte , Fechtelkord Michael 
Published: January 2020

AbstractIn the present work, our aim is to decipher the cationic ordering in the octahedral and tetrahedral sheets of two Al‐rich synthetic materials, namely, phlogopites of nominal composition K(Mg3‐xAlx)[Al1+xSi3‐xO10](OH)yF2‐y and lepidolites in the system trilithionite–polylithionite with composition K (LixAl3‐x)[Al4‐2xSi2xO10](OH)yF2‐y, by directly probing the aluminium distribution through 27Al and 17O magic‐angle spinning, multiple‐quantum magic‐angle spinning, and 27Al‐27Al double‐quantum single‐quantum nuclear magnetic resonance (NMR) experiments. Notably, 27Al‐27Al double‐quantum single‐quantum magic‐angle spinning NMR spectra, recorded at 9.34 and/or 20.00 T, show the spatial proximity or avoidance of the Al species inside or between the sheets. In both studied minerals, the ensemble of NMR data suggests a preference for [4]Al in the tetrahedral sheet to occupy position close to the [6]Al of the octahedral sheets.
Brody myopathy demonstrates a pseudo‐increment on repetitive nerve stimulation
Authors: Masingue Marion , Arzel Marianne , Sternberg Damien , Stojkovic Tanya , Behin Anthony , Bassez Guillaume , Vicart Savine , Péréon Yann , Magot Armelle , Kuntzer Thierry , Eymard Bruno , Fournier Emmanuel 
Published: January 2020

AbstractIntroductionBrody myopathy (BM) is a recessive condition caused by mutations in the ATP2A1 gene and usually induces impaired muscle relaxation during and after exercise. Diagnosis relies on needle electromyography showing electrical silence, muscle biopsy with decreased sarcoplasmic reticulum calcium adenosine triphosphatase activity, and genetic analysis. Electrodiagnostic functional analyses are useful in the diagnosis of channelopathies, and thus may be impaired in BM.MethodsWe performed exercise tests and repetitive nerve stimulation (RNS; 10 supramaximal stimuli at 3 Hz) in 10 patients with BM.ResultsAll participants showed incremental responses on RNS. Compound muscle action potential amplitude was increased and duration was decreased, especially in the ulnar nerve (+30.2 ± 7.1% and − 30.3 ± 2.8%, respectively; both P < .001).DiscussionEasily accessible, this sign, referred to as the Arzel sign, could prove to be a very useful tool in BM diagnosis and in broadening its phenotype.