bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modifying La0.6Sr0.4MnO3 Perovskites with Cr Incorporation for Fast Isothermal CO2‐Splitting Kinetics in Solar‐Driven Thermochemical Cycles
Authors: Carrillo Alfonso J. , Bork Alexander H. , Moser Thierry , Sediva Eva , Hood Zachary D. , Rupp Jennifer L. M. 
Published: June 2019

AbstractPerovskites are promising oxygen carriers for solar‐driven thermochemical fuel production due to higher oxygen exchange capacity. Despite their higher fuel yield capacity, La0.6Sr0.4MnO3 perovskite materials present slow CO2‐splitting kinetics compared with state‐of‐the‐art CeO2. In order to improve the CO production rates, the incorporation of Cr in La0.6Sr0.4MnO3 is explored based on thermodynamic calculations that suggest an enhanced driving force toward CO2 splitting at high temperatures for La0.6Sr0.4CrxMn1−xO3 perovskites. Here, reported is a threefold faster CO fuel production for La0.6Sr0.4Cr0.85Mn0.15O3 compared to conventional La0.6Sr0.4MnO3, and twofold faster than CeO2 under isothermal redox cycling at 1400 °C, and high stability upon long‐term cycling without any evidence of microstructural degradation. The findings suggest that with the proper design in terms of transition metal ion doping, it is possible to adjust perovskite compositions and reactor conditions for improved solar‐to‐fuel thermochemical production under nonconventional solar‐driven thermochemical cycling schemes such as the here presented near isothermal operation.
Epstein–barr virus and multiple sclerosis risk in the finnish maternity cohort
Authors: Munger Kassandra L. , Hongell Kira , Cortese Marianna , Åivo Julia , Soilu‐Hänninen Merja , Surcel Heljä‐Marja , Ascherio Alberto 
Published: June 2019

ObjectiveTo determine whether maternal Epstein–Barr virus (EBV) IgG antibody levels are associated with risk of multiple sclerosis (MS) in the offspring.MethodsWe conducted a prospective nested case–control study in the Finnish Maternity Cohort (FMC) with serum samples from >800,000 women collected during pregnancy since 1983. Cases of MS among offspring born between 1983 and 1991 were identified via hospital and prescription registries; 176 cases were matched to up to 3 controls (n = 326) on region and dates of birth, sample collection, and mother's birth. We used conditional logistic regression to estimate relative risks (RRs) and adjusted models for sex of the child, gestational age at sample collection, and maternal serum 25‐hydroxyvitamin D and cotinine levels. Similar analyses were conducted among 1,049 women with MS and 1,867 matched controls in the FMC.ResultsMaternal viral capsid antigen IgG levels during pregnancy were associated with an increased MS risk among offspring (RRtop vs bottom quintile = 2.44, 95% confidence interval [CI] = 1.20–5.00, p trend = 0.004); no associations were found between maternal EBV nuclear antigen 1 (EBNA‐1), diffuse early antigen, or cytomegalovirus IgG levels and offspring MS risk. Among women in the FMC, those in the highest versus lowest quintile of EBNA‐1 IgG levels had a 3‐fold higher risk of MS (RR = 3.21, 95% CI = 2.37–4.35, p trend <1.11e‐16). These associations were not confounded or modified by 25‐hydroxyvitamin D.InterpretationOffspring of mothers with high viral capsid antigen IgG during pregnancy appear to have an increased risk of MS. The increase in MS risk among women with elevated prediagnostic EBNA‐1 IgG levels is consistent with previous results. ANN NEUROL 2019;86:436–442
Effect of inorganic oxide supports on the activity of chromium‐based catalysts in ethylene trimerization
Authors: Fallahi Maryam , Ahmadi Ebrahim , Mohamadnia Zahra 
Published: June 2019

Novel heterogeneous catalysts were prepared using immobilization of bis(2‐decylsulfanylethyl)amine–CrCl3 (Cr‐SNS‐D) on various supports, namely commercial TiO2, Al2O3 and magnetic Fe3O4@SiO2 nanoparticles, to yield solid catalysts denoted as support@Cr‐SNS‐D. The structure of the catalysts was confirmed on the basis of spectroscopic analyses, N2 adsorption–desorption and inductively coupled plasma (ICP) analysis. The surface areas of Al2O3@Cr‐SNS‐D, Fe3O4@SiO2@Cr‐SNS‐D and TiO2@Cr‐SNS‐D catalysts were determined to be 70, 23 and 41 m2 g−1, respectively. A decrease in surface area from that of the supports clearly establishes accurate immobilization of Cr‐SNS‐D catalyst on the surface of the parent carriers. The loading of Cr was determined to be 0.02, 0.16 and 0.11 mmol g−1 for Cr‐SNS‐D supported on TiO2, Al2O3 and Fe3O4@SiO2, respectively, using ICP analysis. After preparation and full characterization of the catalysts, ethylene trimerization reaction was accomplished in 40 ml of dry toluene, at 80°C and 25 bar ethylene pressure and in the presence of methylaluminoxane (Al/Cr = 700) within 30 min. The supported chromium catalysts were found to be efficient and selective for the ethylene trimerization reaction. The highest activity (74 650 g1‐hexene gCr−1 h−1), as well as no polyethylene formation during reaction processes, was observed when TiO2 was used as the catalyst support.
PdO nanoparticles supported on triazole functionalized porous triazine polymer as an efficient heterogeneous catalyst for carbonylation of aryl halides
Authors: Sadhasivam Velu , Balasaravanan Rajendran , Siva Ayyanar 
Published: June 2019

A well‐defined triazole functionalized porous triazine based polymers act as solid heterogeneous catalyst after incorporating palladium oxide nanoparticles (PdO@TTAS) have been synthesized and thoroughly characterized by various techniques such as, FT‐IR, UV‐DRS, solid state 13C CP‐MAS, XPS, powder X‐ray diffraction, TGA, SEM and TEM analysis has been detailed illustrated. It is important to note that synthesized catalytic performance for carbonylation of aryl halides (X = I, Br) with EDC.HCl (N‐(3‐dimethylaminopropyl)‐N′‐ethylcarbodiimide hydrochloride), and formic acid was found to be an effective CO source in the presence of triethylamine as a base and DMF as a solvent medium at 80 °C for about 3 hr. The PdO@TTAS catalyst exhibits superior catalytic performance and along with good yield (up to 90%). Moreover, studying the heterogeneity and reusability of the environmentally friendly solid catalyst can be easily separated by simple filtration and then recycled for several times. In this reaction method, we avoided ligand, additive, promoters and CO gas, due to additional problem arise by using gaseous CO, highly toxic greenhouse gases and high pressurized reaction setup.
Rose‐like Nanocomposite of Fe‐Ni Phosphides/Iron Oxide as Efficient Catalyst for Oxygen Evolution Reaction
Authors: Peng Xuerong , Chen Xuchun , Liu Tao , Lu Changfang , Sun Mengmeng , Ding Fang , Wang Yanying , Zou Ping , Wang Xianxiang , Zhao Qingbiao , Rao Hanbing 
Published: June 2019

AbstractIn order to accelerate the reaction rate of water splitting, it is of immense importance to develop low‐cost, stable and efficient catalysts. In this study, the facile synthesis of a novel rose‐like nanocomposite catalyst (Ni2P/Fe2P/Fe3O4) is reported. The synthesis process includes a solvothermal step and a phosphatization step to combine iron oxides and iron‐nickel phosphides. Ni2P/Fe2P/Fe3O4 performs well in catalyzing oxygen evolution reaction, with a very low overpotential of 365 mV to reach 10 mA cm−2 current density. The Tafel slope is as low as 59 mV dec−1. Ni2P/Fe2P/Fe3O4 has a large double‐layer capacitance that contributes to a high electrochemically active area. Moreover, this catalyst is very stable for long‐term use. Therefore, the Ni2P/Fe2P/Fe3O4 catalyst has a high potential for use in oxygen evolution reactions.
Identification of Non‐Carbonaceous Cathodes in Al Batteries: Potential Applicability of Black and Blue Phosphorene Monolayers
Authors: Bhauriyal Preeti , Pathak Biswarup 
Published: June 2019

AbstractIn the present era of growing energy demands, low‐dimensional materials are emerging as the suitable choices for energy storage due to their excellent ion transport properties, improved reversible capacity, fine rate performance and good cycling stability. In this context, we have investigated the applicability of black and blue phosphorene monolayers as potential cathodes for Al batteries. Both black and blue phosphorene monolayers show similar electrochemical behavior as that of experimentally reported graphite with a charge transfer from the surface in order to bind the tetrahedral geometry of AlCl4 during the charging process. The adsorption of AlCl4 drives semiconductor‐to‐metallic transformation of black/blue phosphorene, which ensures constant conductivity in Al batteries. Following the systematic adsorption of AlCl4, the voltage for black and blue phosphorene is calculated to be ≈1.50 V and ≈1.80 V with storage capacities of 144 mAh g−1 and 108 mAh g−1, respectively. Besides, low diffusion barriers of 0.11 eV and 0.14 eV are predicted for AlCl4 on the respective systems of black and blue phosphorene monolayers. Our work suggests that both black and blue phosphorene monolayers can be potential cathodes for Al batteries with delivery of high storage capacity and high voltage, respectively.
Using kinetics and modeling to predict denitrification fluxes in elemental‐sulfur‐based biofilms
Authors: Wang Yue , Sabba Fabrizio , Bott Charles , Nerenberg Robert 
Published: June 2019

AbstractElemental sulfur (S0) can serve as an electron donor for water and wastewater denitrification, but few researchers have addressed the kinetics of S
0–based reduction of nitrate (NO
3
−), nitrite (NO
2
−), and nitrous oxide (N
2O). In addition, S
0‐based denitrifying biofilms are counter‐diffusional. This is because the electron donor (S
0) is supplied from the biofilm attachment surface while the acceptor, for example, NO
3
−, is supplied from the bulk liquid. No existing mathematical model for S
0‐based denitrification considers this behavior. In this study, batch tests were used to determine the kinetic parameters for the reduction of NO
3
−, NO
2
−, and N
2O. Additionally, a biofilm model was developed to explore the effects of counter‐diffusion on overall fluxes, that is, the mass of NO
3
− or NO
2
− removed per unit biofilm support area per unit time. The maximum specific substrate utilization rates () for NO
3
−, NO
2
−, and N
2O were 3.54, 1.98, and 6.28 g N g COD
−1·d
−1, respectively. The maximum specific growth rates () were 0.71, 1.21, and 1.67 d
−1 for NO
3
− to NO
2
−, NO
2
− to N
2O, and N
2O to N
2, respectively. Results suggest that the observed NO
2
− accumulation during S
0‐based denitrification results from a low for NO
2
− relative to that for NO
3
−. The high for N
2O, relative to that for NO
3
− and NO
2
−, suggest that little N
2O accumulation occurs during denitrification. A counter‐diffusional biofilm model was used to predict trends for NO
3
− fluxes, and confirmed NO
2
− accumulation in S
0‐based denitrification biofilms. It also explains the observed detrimental effects of biofilm thickness on denitrification fluxes. This study allows a more accurate prediction of NO
3
−, NO
2
−, and N
2O transformations in S
0‐based denitrification.
Self–other differences in change predictions
Authors: Lu Jingyi , Xie Xiaofei 
Published: June 2019

AbstractIndividuals live in a changing world in which they predict future events based on past trends. Every event changes between two extremes (e.g., increases and decreases, successes and failures, and peaks and bottoms). People will anticipate changes if they can see the correlation between two extremes. This study investigates whether predictions about changes differ when individuals make predictions about events regarding themselves and others. Based on construal level theory, we hypothesized and found that people who made predictions for others anticipated more changes between two extremes than those who made predictions for themselves. However, self–other differences had boundary conditions. These differences were found in past trends without reversals but not in those with reversals. These results provide novel insights into change predictions.
Upward intergenerational influences on parents' innovativeness and innovation adoption: A comparative study of single‐ and multiple‐child families
Authors: Liang Jianping , Jiang Hongyan , Cotte June 
Published: June 2019

AbstractIn the marketing and consumer behavior literature, there has been a growing attention on upward intergenerational influences, or reverse socialization, which is largely because of children's increasing influences on family decisions. This paper hypothesizes different patterns of upward intergenerational influences in single versus multiple‐child families, controlling for peer and spousal influences. We found that young adult single children had a direct positive influence on their parents' innovation adoption behavior, but not a significant influence on their parents' overall innovativeness, whereas young adult children with siblings had a different effect: Their innovativeness had a significant positive influence on their parents' overall innovativeness, but not a direct impact on their parents' innovation adoption.
Column Dust Scrubber Based on an Orifice Plate to Intensify Gas‐Liquid Mixing
Authors: Li Xiaochuan , Xu Xinhao , Zhang Mingrui , Jiao Yongkang 
Published: June 2019

AbstractA column dust scrubber based on an orifice plate is developed for small and medium‐sized enterprises in China, which urgently need small‐volume, large‐flow scrubbers. The scrubber uses an orifice plate to evenly distribute the gas flow, which forms a uniform and stable impact on the liquid phase. As a result, dust removal via intensified gas‐liquid mixing can be achieved. A laboratory orifice plate scrubber model is developed, prototyped, and preliminarily studied considering the working process of the scrubber (mixed gas‐liquid flow pattern), liquid level, gas flow rate, pressure drop characteristics, dust removal efficiency, etc. The scrubber can achieve a good gas‐liquid mixing state when it is in a stable liquid column flow pattern. The drag coefficient of the scrubber is affected by the discharge of the gas stream to the liquid phase.
Novel fluorine‐containing chiral hydrazide‐hydrazones: Design, synthesis, structural elucidation, antioxidant and anticholinesterase activity, andin silicostudies
Authors: Sıcak Yusuf , Oruç‐Emre Emine Elçin , Öztürk Mehmet , Taşkın‐Tok Tuğba , Karaküçük‐Iyidoğan Ayşegül 
Published: June 2019

AbstractIn this study, a series of fluorine‐containing chiral hydrazide‐hydrazone derivatives[III‐XII]from ʟ‐cysteine ethyl ester hydrochloride was synthesized as new antioxidant and anticholinesterase agents. The antioxidant activity of these derivatives was evaluated by ABTS+·and DPPH·scavenging and CUPRAC assays and the anticholinesterase activity by the Ellman method spectrophotometrically. The results of the antioxidant assay showed that compoundsV,IX, andXexhibited higher activity than BHT andα‐tocopherol used as positive standards. Among the synthesized derivatives, compoundIX(IC50: 2.3 ± 1.6 μM) exhibited higher acetylcholinesterase inhibitory activity than galantamine (IC50: 4.5 ± 0.8 μM).CompoundsXI(IC50: 9.6 ± 1.0 μM),IX(IC50: 12.5 ± 1.6 μM),III(IC50: 16.0 ± 1.6 μM),X(IC50: 17.2 ± 1.8 μM),VI(IC50: 20.2 ± 0.8 μM),XII(IC50: 21.5 ± 1.0 μM), andVII(IC50: 24.6 ± 0.6 μM) displayed better butyrylcholinesterase inhibitory activity than galantamine (IC50: 46.03 ± 0.14 μM). ADME‐Tox analysis was used to probe the drug‐like properties of the compounds. Molecular docking studies were also applied to understand the interactions between compounds and targets. The docking calculations were supported by the experimental data. In particular, compoundIX, having better activity than galantamine against acetylcholinesterase and butyrylcholinesterase enzymes, was visualized using molecular docking.
Understanding Regium Bonds and their Competition with Hydrogen Bonds in Au2:HX Complexes
Authors: Sánchez‐Sanz Goar , Trujillo Cristina , Alkorta Ibon , Elguero José 
Published: June 2019

AbstractThe front cover artwork is provided by Dr. Goar Sánchez (Irish Centre for High‐End Computing, Ireland), Dr. Cristina Trujillo (Trinity College Dublin, Ireland), Prof. Ibon Alkorta and Prof. José Elguero (Spanish National Research Council, Spain). The image shows the two possible interactions between Au2 and HF molecules: Traditional hydrogen bond (bottom) and regium bond (top). Read the full text of the Article at 10.1002/cphc.201900354.
WBQoEMS: Web browsing QoE monitoring system based on prediction algorithms
Authors: Ben Letaifa Asma 
Published: June 2019

SummaryThese years, researchers are interested in the web users perceived Quality of Experience called web QoE. Monitoring web browsing QoE can help service providers to determine if network conditions are contributing to user satisfaction. Making a relationship between web QoE and network parameters helps them to evaluate potential solutions in order to increase user satisfaction. Recent literature use metrics such as page load, wait time, or SpeedIndex to estimate the QoE of web users. However, QoE is a measure that remains subjective, and its evaluation is expensive and tedious because it requires a high human participation. Using Big Data Analytics, web service providers can anticipate user's behavior and take necessary actions which lead to better QoS/QoE. In this work, we have shown that we can make a relationship between QoS and QoE and predict QoE thanks to machine learning (ML) algorithms or deep learning approach. In fact, these new prediction solutions can help in prediction of the web QoE. Yet, this work focuses on some key performance indicators in the field of web browsing where Big Data Analytics are used. It gives a predictive solution based on Big Data tools to monitor and work toward enhancing QoS and QoE for the web users. Therefore, the design of a tool that can objectively measure this QoE with reasonable accuracy and in real time has become a primary need which is an interesting challenge to solve. As a first contribution, we analyzed the impact of network behavior on the quality of web services, then described some relevant research works done in ML field to predict QoE. We finally give the proposed tool based on prediction algorithms from ML and deep learning both used to monitor web QoE.
Optical modeling and optimization of parabolic trough concentration photovoltaic/thermal system
Authors: Alayi Reza , Kasaeian Alibakhsh , Atabi Farideh 
Published: June 2019

AbstractIn this research, a genetic algorithm has been used to optimize the focal area of the parabolic trough concentration photovoltaic/thermal. First, based on the physical and thermodynamic variables, the system modeling was performed; then, by changing the variables were calculated the effect of these parameters on the electrical and thermal efficiencies. In the next step, the optimization was conducted by the mentioned algorithms. The objective function consists of two targets of electrical efficiency combined with thermal efficiency. The optimization variables include the length of the system, the pipe diameter, the collector diameter, mass flow rate, and the photovoltaic cell width. After running the program in the normal mode, the highest electrical and thermal efficiencies were 0.2063 and 0.4473 for the length of 10 m, the collector diameter of 1.2 m, the flow rate of 0.15 kg/s, the pipe diameter of 0.03 m, and the photovoltaic cell width of 0.02 m. According to the genetic algorithm, the optimal answer for the total efficiency of this system is 0.84737.
(R)‐Tonkafuranone and related compounds: Improved synthesis, stereochemical purity in nature, and bioactivities of the pure enantiomers
Authors: Hoffmann Matthias , Mufusama Koy Sita Jean‐Pierre , Kleider Carolin , Gunesch Sandra , Rothmund Bruno , Lehmann Leane , Bringmann Gerhard , Decker Michael 
Published: June 2019

AbstractDehydromenthofurolactone (tonkafuranone) and other bicyclic lactones are common flavour compounds and can be found in a variety of plants. Herein, we present an improved synthesis of the natural product and a series of close analogues, in combination with efficient purification methods for simple preparation from cheap and easily accessible chemicals. A two‐step, one‐pot, reaction procedure, consisting of an aldol condensation step with concomitant lactonization, yields simplified analogues of the natural parent compound (R)‐tonkafuranone and its likewise natural (S)‐enantiomer, lacking one or two of its methyl groups, respectively. In the case of regioisomeric products, these were resolved by preparative high‐performance liquid chromatography, which, in the case of chiral, yet racemic products, was followed by preparative enantio‐resolution on a chiral phase, permitting the isolation of all four pure isomers from one synthetic step. Using the stereo‐analytical method developed, the enantiomeric purity of natural tonkafuranone occurring in Bursera graveolens was analysed and found to be ‘100:0’ in favour of the S‐enantiomer. The chiral, enantiomerically pure products were configurationally assigned by co‐elution, semi‐synthesis, and/or chiroptical methods. With the pure isomers obtained, specific cytotoxicities were tested in two cell lines as a measure for their reactivities towards cellular nucleophiles. Although the synthesized compounds differed in their cytotoxic potential in V79 cells, they exhibited a much smaller cytotoxic potential than the mutagenic α,β,γ,δ‐unsaturated lactone patulin. No toxicity towards murine hippocampal HT‐22 cells was observed at 50 μM. Thus, the molecular mechanism contributing to the high reactivity of patulin towards nucleophiles may not apply for tonkafuranone and structurally related compounds.
A high‐order Runge‐Kutta discontinuous Galerkin method with a subcell limiter on adaptive unstructured grids for two‐dimensional compressible inviscid flows
Authors: Giri Pritam , Qiu Jianxian 
Published: June 2019

SummaryA robust, adaptive unstructured mesh refinement strategy for high‐order Runge‐Kutta discontinuous Galerkin method is proposed. The present work mainly focuses on accurate capturing of sharp gradient flow features like strong shocks in the simulations of two‐dimensional inviscid compressible flows. A posteriori finite volume subcell limiter is employed in the shock‐affected cells to control numerical spurious oscillations. An efficient cell‐by‐cell adaptive mesh refinement is implemented to increase the resolution of our simulations. This strategy enables to capture strong shocks without much numerical dissipation. A wide range of challenging test cases is considered to demonstrate the efficiency of the present adaptive numerical strategy for solving inviscid compressible flow problems having strong shocks.