bluuebunny/crossref_metadata_2025_split huggingface dataset:
Heterogeneously Catalyzed Methanolysis of Gmelina Seed Oil to Biodiesel
Authors: Ude Callistus Nonso , Onukwuli Dominic Okechukwu , Umeuzuegbu Jonah Chukwudi , Chukwuka Chinemelum Chukwujekwu 
Published: October 2020

AbstractThe heterogeneous catalysis of transesterification of gmelina seed oil to biodiesel is evaluated. The oil was extracted from the seeds with n‐hexane by solvent extraction and characterized to determine its physiochemical properties. Response surface methodology was applied to optimize the effect of process variables on the biodiesel yield. The base‐activated clay catalyst performed as montmorillonite clay with the characteristic property of a Brønsted acid. It has an improved surface area after activation that enhanced its catalytic activity on transesterification reaction. Under optimal conditions, the biodiesel yield was 70.1 %, thus demonstrating that the model predicted well the biodiesel production.
Forecast Formulas for Bulk Material Dustiness Under Low Vacuum Conditions in a Single‐Drop Device
Authors: Londershausen Tim , Schmidt Eberhard 
Published: October 2020

AbstractThe release of particles from bulk materials is usually an undesired quality. Nevertheless, it can occur in a wide range of material‐handling processes and may present a hazard to humans and the environment. Therefore, the dust formation tendency represents an important material property that depends on the specific type of stress. A forecast of the dust formation tendency could simplify and expedite the assessment of possible hazard potentials as it would eliminate the need for comprehensive dustiness measurements. A single‐drop method was used to analyze the dustiness of nine materials at low pressure conditions. Based on the experimental results, an empirically derived apparatus‐specific forecast parameter and a prediction function were developed.
Construction of 3‐Azabicyclo[3.1.0]hexane Backbone by the Reaction of Allenes with Allylamines via Tandem Michael Addition and Copper‐Mediated Oxidative Carbanion Cyclization
Authors: Xu Hui , Han Teng , Luo Xiaoyan , Deng Wei‐Ping 
Published: October 2020

Main observation and conclusionA facile synthetic method for the construction of 3‐azabicyclo[3.1.0]hexane in the presence of copper catalyst system was developed. The reaction proceeds through Michael addition of allylamines with allenes followed by copper‐mediated intramolecular oxidative carbanion 5‐exo‐trig radical cyclization, affording potential biologically active 3‐azabicyclo[3.1.0]hexane derivatives in moderate to high yields (42%—85%).
Experimental Visualisation of Chemical Bonding
Authors: Herbst‐Irmer Regine , Irmer Erhard 
Published: October 2020

AbstractHochaufgelöste Röntgenbeugungsdaten liefern mit Hilfe des Multipolmodells Informationen über Bindungselektronendichte. Über die graphische Darstellung des elektrostatischen Potentials kann man nukleophile und elektrophile Zentren in einem Molekül identifizieren. Die Quantentheorie von Atomen in Molekülen (QTAIM) ermöglicht die Berechnung von Atomladungen, Charakterisierung von Bindungen und die Visualisierung von Bindungselektronen‐ und freien Elektronenpaaren. Das Konzept wird an den beiden Beispielstrukturen Benzol und Oxalsäure‐Dihydrat verdeutlicht.
Association of early repolarization pattern with cardiovascular outcomes in middle‐aged population: A cohort study
Authors: Cheng Yun‐Jiu , Zhao Xiao‐Xiao , Pan Shun‐Ping , Pan Jia‐Min , Zhang Ming , Li Zhu‐Yu 
Published: October 2020

AbstractBackgroundLarge cohort studies provide conflicting evidence regarding the prognostic value of early repolarization pattern (ERP) in the general population, complicated by the complex or heterogeneous definitions of ERP applied in different studies.HypothesisWe hypothesized that ERP was associated with increased cardiovascular risk with the definition of ERP recommended by the expert consensus statements.MethodsA total of 13673 middle‐aged subjects from the prospective, population‐based Atherosclerosis Risk in Communities (ARIC) study were included in this analysis. Cox models were used to estimate the hazard ratios (HRs) adjusted for possible confounding factors. ERP was defined as ST‐segment elevation ≥0.1mV at the end of the QRS or J wave on the QRS downstroke in two or more contiguous leads.ResultsCompared with those without ERP, subjects with ERP had a significantly increased risk of developing sudden cardiac death (SCD) (HR, 1.48; 95% CI, 1.08–2.04) and death from coronary heart disease (CHD) (HR, 1.45; 95% CI, 1.10–1.92) after a median follow‐up of 20.1 years. ERP was significantly predictive of SCD in females, whites, younger people, and subjects with relatively low cardiovascular risk. ERP with ST‐segment elevation appeared to indicate poor cardiovascular outcomes. ERP was associated with an absolute risk increase of 93.3 additional SCDs per 100 000 person‐years.ConclusionsOur findings suggest that ERP was an independent predictor of SCD and CHD death in the middle‐aged biracial population.
Regional differences in beta amyloid plaque deposition and variable response to midlife environmental enrichment in the cortex of APP/PS1 mice
Authors: Fulopova Barbora , Stuart Kimberley E. , Bennett William , Bindoff Aidan , King Anna E. , Vickers James C. , Canty Alison J. 
Published: October 2020

AbstractEnvironmentally enriched housing conditions can increase performance on cognitive tasks in APP/PS1 mice; however, the potential effects of environmental enrichment (EE) on disease modification in terms of pathological change are inconclusive. We hypothesized that previous contrasting findings may be attributable to regional differences in susceptibility to amyloid beta (Aβ) plaque deposition in cortical regions that are functionally associated with EE. We characterized fibrillar plaque deposition in 6, 12, and 18–22 months old APP/PS1 mice in the prefrontal (PFC), somatosensory (SS2), and primary motor cortex (M1). We found a significant increase in plaque load between 6 and 12 months in all regions. In animals over 12 months, only the PFC region continued to significantly accumulate plaques. Additionally, 12 months old animals subjected to 6 months of EE showed improved spatial navigation and had significantly fewer plaques in M1 and SS2, but not in the PFC. These findings suggest that the PFC region is selectively susceptible to Aβ deposition and less responsive to the attenuating effects of EE. In contrast, M1 and SS2 regions plateau with respect to Aβ deposition by 12 months of age and are susceptible to amyloid pathology modification by midlife EE.
Femto/Picosecond Transient Absorption Study of Ring‐Opening Dynamics in Perimidinespirocyclohexadienone Derivatives
Authors: Metelitsa Anatoly V. , Poizat Olivier , Buntinx Guy , Dorogan Igor V. 
Published: October 2020

AbstractThe ring‐opening dynamics of perimidinespirocyclohexadienone derivatives has been studied by means of time‐resolved spectroscopy in cyclohexane and acetonitrile solutions. It has been established that molecular isomerisation leading to the open isomer occurs against the background of the S1‐S0 internal conversion of the cyclic form. In addition, the features of the observed spectral changes in the cyclohexane made it possible to distinguish formation of the photoproduct in the T1 state and its relaxation via intersystem crossing to the singlet ground state. The corresponding assignments for transient absorption bands were performed on the basis of TD‐DFT calculations.
Are all narratives the same: Convergent and discriminant validity of the Social Cognition and Object Relations Scale—Global Rating Method across two narrative types
Authors: Slavin‐Mulford Jenelle M. , Amerson Luke R. , Hilsenroth Mark J. , Zodan Jennifer , Charnas Jocelyn W. , Cain Lylli A. , Stein Michelle B. 
Published: October 2020

AbstractThis study examines the construct validity of the Social Cognition and Object Relations Scale—Global Rating Method (SCORS‐G) by exploring the degree of convergence across different narrative sources (i.e., early memories [EM] and psychotherapy narratives [PT]) using a university‐based outpatient sample (n = 101). First, we examined intercorrelations between SCORS‐G ratings of EM and PT. Intercorrelations between SCORS‐G EM and PT revealed that three of the dimensions significantly correlated with themselves across narrative type (Emotional Investment in Relationships [EIR], Experience and Management of Aggressive Impulses [AGG], and Self‐Esteem [SE]), but that only AGG had its strongest correlation with itself (i.e., EM AGG to PT AGG). In addition, EM AGG was significantly related to all but one of the PT SCORS‐G dimensions. Likewise, EM SE correlated with all but two of the PT SCORS‐G dimensions. Second, we examined how narrative source related to clinical findings. With the use of a multimethod approach, we assessed how SCORS‐G ratings from both narrative types correlated with selected variables from the Personality Assessment Inventory (PAI) and Rorschach Inkblot Test. Findings indicated that there were only three instances in which both narrative types had significant relationships to the same variable/scale, and all three instances were with the Rorschach. Together, these findings suggest that even when using the same scale (SCORS‐G), different narrative sources differentially activate aspects of object relations. In addition, the results highlight that difficulties with self‐esteem and poor management of aggression in childhood interactions relates to patients' object relational functioning later in life. Clinical implications and future research are discussed.
Preparation of Oxazole Acetals from N‐Propargylamides Enabled by Visible‐Light‐Promoted Selenium‐π‐Acid Catalysis
Authors: Wang Xue Yang , Zhang Qing Bao , Jin Xiao Ling , Wu Li Zhu , Liu Qiang 
Published: October 2020

AbstractAn unprecedented catalytic system consisting of diselenides, Selectfluor and visible light has been developed for the one‐pot synthesis of oxazole acetals from N‐propargylamides and alcohols. This system shows the processes of cyclization, aromatization and acetalization, resulting in the construction of multiple carbon‐oxygen bonds. These transformations demonstrate the excellent compatibility of visible‐light promotion with organocatalytic oxidative carbon–oxygen bond formations using air as the terminal oxidant.
Exploiting the Degradation Mechanism of NCM523Graphite Lithium‐Ion Full Cells Operated at High Voltage
Authors: Klein Sven , Bärmann Peer , Beuse Thomas , Borzutzki Kristina , Frerichs Joop Enno , Kasnatscheew Johannes , Winter Martin , Placke Tobias 
Published: October 2020

AbstractLayered oxides, particularly including Li[NixCoyMnz]O2 (NCMxyz) materials, such as NCM523, are the most promising cathode materials for high‐energy lithium‐ion batteries (LIBs). One major strategy to increase the energy density of LIBs is to expand the cell voltage (>4.3 V). However, high‐voltage NCM
graphite full cells typically suffer from drastic capacity fading, often referred to as “rollover” failure. In this study, the underlying degradation mechanisms responsible for failure of NCM523
graphite full cells operated at 4.5 V are unraveled by a comprehensive study including the variation of different electrode and cell parameters. It is found that the “rollover” failure after around 50 cycles can be attributed to severe solid electrolyte interphase growth, owing to formation of thick deposits at the graphite anode surface through deposition of transition metals migrating from the cathode to the anode. These deposits induce the formation of Li metal dendrites, which, in the worst cases, result in a “rollover” failure owing to the generation of (micro‐) short circuits. Finally, approaches to overcome this dramatic failure mechanism are presented, for example, by use of single‐crystal NCM523 materials, showing no “rollover” failure even after 200 cycles. The suppression of cross‐talk phenomena in high‐voltage LIB cells is of utmost importance for achieving high cycling stability.
Manipulating Au−CeO2 Interfacial Structure Toward Ultrahigh Mass Activity and Selectivity for CO2 Reduction
Authors: Fu Jile , Ren Dezhang , Xiao Meiling , Wang Ke , Deng Yaping , Luo Dan , Zhu Jianbing , Wen Guobin , Zheng Ying , Bai Zhengyu , Yang Lin , Chen Zhongwei 
Published: October 2020

AbstractDeploying the application of Au‐based catalysts directly on CO2 reduction reactions (CO2RR) relies on the simultaneous improvement of mass activity (usually lower than 10 mA mg−1Au at −0.6 V) and selectivity. To achieve this target, we herein manipulate the interface of small‐size Au (3.5 nm) and CeO2 nanoparticles through adjusting the surface charge of Au and CeO2. The well‐regulated interfacial structure not only guarantees the utmost utilization of Au, but also enhances the CO2 adsorption. Consequently, the mass activity (CO) of the optimal AuCeO2/C catalyst reaches 139 mA mg−1Au with 97 % CO faradaic efficiency (FECO) at −0.6 V. Moreover, the strong interaction between Au and CeO2 endows the catalyst with excellent long‐term stability. This work affords a charge‐guided approach to construct the interfacial structure for CO2RR and beyond.
Limited contributions of plant pathogens to density‐dependent seedling mortality of mast fruiting Bornean trees
Authors: Cannon Patrick G. , O’Brien Michael J. , Yusah Kalsum M. , Edwards David P. , Freckleton Robert P. 
Published: October 2020

AbstractFungal pathogens are implicated in driving tropical plant diversity by facilitating strong, negative density‐dependent mortality of conspecific seedlings (C‐NDD). Assessment of the role of fungal pathogens in mediating coexistence derives from relatively few tree species and predominantly the Neotropics, limiting our understanding of their role in maintaining hyper‐diversity in many tropical forests. A key question is whether fungal pathogen‐mediated C‐NDD seedling mortality is ubiquitous across diverse plant communities. Using a manipulative shadehouse experiment, we tested the role of fungal pathogens in mediating C‐NDD seedling mortality of eight mast fruiting Bornean trees, typical of the species‐rich forests of South East Asia. We demonstrate species‐specific responses of seedlings to fungicide and density treatments, generating weak negative density‐dependent mortality. Overall seedling mortality was low and likely insufficient to promote overall community diversity. Although conducted in the same way as previous studies, we find little evidence that fungal pathogens play a substantial role in determining patterns of seedling mortality in a SE Asian mast fruiting forest, questioning our understanding of how Janzen‐Connell mechanisms structure the plant communities of this globally important forest type.
Annealing Boosts the Supercapacitive Properties of Molybdenum Disulfide Powder
Authors: Mwonga Patrick V. , Ipadeola Adewale K. , Naidoo Shunmugam R. , Quandt Alexander , Ozoemena Kenneth I. 
Published: October 2020

AbstractThis work compares the supercapacitive properties of pristine molybdenum disulfide (MoS2‐AS) and its counterpart annealed at 450 °C (MoS2‐450) in 1 M Na2SO4 solution. The MoS2‐450 powder delivers an increased specific capacitance and low charge‐tansfer resistance compared to the MoS2‐AS powder, interpreted as the consequence of high pore size and annealing‐induced active edge sites on the MoS2‐450 for facile charge transport. Symmetric cells of the MoS2‐450 electrodes, connected in series, delivered a voltage of 3.5 V, high enough to light a 1.6 V LED. The high performance of the MoS2‐450 means that it can be optimized for potential application.
Trace Element Concentrations in Blood and Scute Tissues from Wild and Captive Hawaiian Green Sea Turtles (Chelonia mydas)
Authors: Shaw Katherine R. , Lynch Jennifer M. , Balazs George H. , Jones T. Todd , Pawloski Jeff , Rice Marc R. , French Amanda D. , Liu Jing , Cobb George P. , Klein David M. 
Published: October 2020

Abstract
Sea turtles are exposed to trace elements through water, sediment, and food. Exposure to these elements has been shown to decrease immune function, impair growth, and decrease reproductive output in wildlife. The present study compares trace element concentrations in green turtles in captivity at Sea Life Park Hawaii (n = 6) to wild green turtles in Kapoho Bay, Hawaii, USA (n = 5–7). Blood and scute samples were collected and analyzed for 11 elements via inductively coupled plasma-mass spectrometry (ICP-MS). Selenium was significantly greater (p &lt; 0.05) in the blood of captive turtles compared with wild turtles, whereas V, Ni, and Pb were significantly greater in the blood of wild turtles. In scute, V, Cu, Se, and Cr were significantly greater in captive turtles, whereas As was significantly greater in wild turtles. Pelleted food fed to the captive turtles and representative samples of the wild turtle diet were analyzed via ICP-MS to calculate trophic transfer factors and daily intake values. Wild turtles had greater estimated daily intake than captive turtles for all elements except Cu and Se. Because captive turtles are fed a diet very different from that of their wild counterparts, captive turtles do not represent control or reference samples for chemical exposure studies in wild turtles. No toxic thresholds are known for sea turtles, but rehabilitation and managed care facilities should monitor sea turtle elemental concentrations to ensure the animals' health. Environ Toxicol Chem 2021;40:208–218. © 2020 SETAC. This article has been contributed to by US Government employees and their work is in the public domain in the USA.
Abstract
The differences in elemental concentrations between captive and wild turtles are primarily due to their food source. Captive turtles are given a pelleted food that is a mixture of animal and plant protein products with additives, whereas wild turtles have a primarily herbivorous diet. Asterisk indicates significant difference (p &lt; 0.05) between captive and wild turtles.
Dynamic controller placement insoftware‐definednetworks for reducing costs and improving survivability
Authors: Abdi Seyedkolaei Ali , Hosseini Seno Seyed Amin , Moradi Ahmad 
Published: October 2020

AbstractSoftware‐defined networks are a modern architecture in computer networks where traffic transfer is separated from network control. In software‐defined networks, all decisions are made in the controller, and the necessary commands are injected into the network equipment. With the advent of software‐defined networks and the introduction of a new concept called controller in these types of networks, it becomes important to find an appropriate location for the controller and its number in the network. This problem aims to find the location and the optimal number of controllers needed in the network, and how to assign switches to the controllers declined certain constraints. In this article, a method to determine the appropriate location for controllers is proposed, so that the cost of network implementation would be reduced and thus its survivability is improved. Finally, we analyzed the proposed method in terms of evaluation criteria.
Meshfree lattice Boltzmann flux solver for compressible inviscid flows
Authors: Zhan Ningyu , Chen Rongqian , Liu Jiaqi , Qiu Ruofan , You Yancheng 
Published: October 2020

AbstractIn this work, a meshfree Lattice Boltzmann Flux Solver (LBFS) is proposed to resolve compressible flow problems based on scattered points without mesh connections. The new method employs the Least Square‐based Finite Difference (LSFD) scheme to discretize the governing equations. In order to simulate discontinuous problems such as shock wave, the mid‐point between two adjacent nodes is regarded as a discontinuous interface over which the Riemann problem is established. The local fluxes at this interface point are reconstructed by LBFS using the local solution of the Lattice Boltzmann Equation (LBE) as well as its correlations to macroscopic variables and moment relations. The LBFS is constructed based on the non‐free parameter D1Q4 model: the normal component of the particle velocity on the interface is retained, while the tangential component is reconstructed by the macroscopic variables on both sides of the interface. The meshfree LBFS expects some intriguing merits. On one hand, it inherits the physical robustness of the LBFS: the local fluxes are reconstructed from the physical solutions instead of mathematical interpolations. On the other hand, it allows the implementation at arbitrarily distributed nodes, which credits to the flexibility of the method. Representative examples of compressible flows, including Sod shock tube, Osher‐Shu shock tube, flow around NACA0012 airfoil, flow around staggered NACA0012 biplane configuration and shock reflection problem, are simulated by the proposed method for comprehensive evaluation of the meshfree LBFS.
Sustainable Solar Evaporation from Solute Surface via Energy Downconversion
Authors: Bian Yue , Tian Yanli , Tang Kun , Li Wei , Zhao Lijuan , Yang Yi , Ye Jiandong , Gu Shulin 
Published: October 2020

AbstractSolar‐powered interfacial evaporation, a cost‐effective and ecofriendly way to obtain freshwater from contaminated water, provides a promising path to ease the global water crisis. However, solute accumulation has severely impacted efficient light‐to‐heat‐to‐vapor generation in conventional solar evaporators. Here, it is demonstrated that an interfacial solar thermal photo‐vapor generator is an efficient light‐to‐heat photo‐vapor generator that can evaporate water stably in the presence of solute accumulation. An energy downconversion strategy which shifts sunlight energy from visible‐near infrared to mid infrared‐far infrared bands turns water from transparent to its own absorber, thus changing the fixed evaporation surface (black absorber) in a traditional solar evaporator to a dynamic front (solute surface). Light reflected from the solute can be recycled to drive evaporation. The prototype evaporator can evaporate at a high speed of 1.94 kg m−2 h−1 during a persistent solute accumulation process for 32 h. Such an ability to produce purified water while recycle valuable heavy metals from waste water containing heavy metal ions can inspire more advanced solar‐driven water treatment devices.
Coupled CO2‐well‐reservoir simulation using a partitioned approach: effect of reservoir properties on well dynamics
Authors: Munkejord Svend Tollak , Hammer Morten , Ervik Åsmund , Odsæter Lars Hov , Lund Halvor 
Published: October 2020

AbstractWe present a model framework for dynamic simulation of the flow of and other components in an injection well coupled with a near‐well reservoir. With a partitioned approach, we employ numerical methods adapted to the governing equations in each domain. In both well and reservoir, accurate thermodynamics are used. This model can be used for various design and operational considerations for ‐injection wells, that is, the quantification of pressure and temperature transients, and phase composition, including the appearance of a water‐rich phase. We study cases where the flow in the well and the near‐well reservoir is dynamically coupled. The rock properties are seen to strongly affect the well dynamics, both regarding magnitude and transient evolution of the bottom‐hole pressure. We consider a variation of this case where water is co‐injected with , showing that this is a potential method to mitigate salt precipitation. We also consider intermittent injection, representing the case of direct injection from ships transporting . Finally, we observe that in the present cases, a coupled model (as opposed to a well‐only model) is necessary in order to capture the dynamics in the well during injection. © 2020 Society of Chemical Industry and John Wiley & Sons, Ltd.