bluuebunny/crossref_metadata_2025_split huggingface dataset:
Conversion of Levulinic Acid over Ru/SrZrO3 and Ru/BaZrO3 Supported Basic Catalysts
Authors: Leal Villarroel Edgardo , Seguel Juan , Rodríguez Pedro , Blanco Elodie , Escalona Néstor , Pecchi Gina , Sepúlveda Catherine 
Published: December 2022

AbstractThe catalytic performance of Ru impregnated perovskites‐based catalysts (Ru/SrZrO3 and Ru/BaZrO3) in the conversion of levulinic acid (LA) into higher valuable chemicals was carried out at different reaction temperatures. The Ru/SrZrO3 and Ru/BaZrO3 catalysts, with a loading of 2.0 Ru atoms nm−2, were prepared by incipient impregnation, and characterized by different techniques. The characterization results indicate presence of dispersed Ru catalysts, with a crystalline structure, with absence of carbonate species for Ru/SrZrO3 and larger carbonates as segregated phase and with stronger basic sites for Ru/BaZrO3. At higher reaction temperatures (200 °C – 250 °C), the higher strength of the basic sites of Ru/BaZrO3 had a direct influence on the levulinic acid (LA) conversion reaction. Differences in the apparent activation energy (Eap) values follow the same trend. The catalysts produce a 100 % of selectivity towards GVL. The formation of GVL was proposed to proceed via the intermediacy of 4‐hydroxypentanoic acid due to the presence of basic surface sites.
A carbon mixed selenium sulfide separator coating for lithium‐sulfur battery life enhancement
Authors: Jiang Wen , Dong Lingling , Liu Shuanghui , Zhang Weimin , Ai Bing , Pan Kefeng , Zhang Lipeng 
Published: December 2022

AbstractLithium‐sulfur batteries are one of the most promising energy storage devices in the future due to their high specific capacity and abundant natural reserves. However, the shuttle effect of soluble intermediate polysulfide products can lead to rapid decay of battery capacity, short cycle life and serious self‐discharge effect, which hinders the development of lithium‐sulfur batteries. Here, we coated the separator with a mixed SeS2/KB coating, which can effectively stop the polysulfide shuttle and improve the performance of lithium‐sulfur batteries through the physical barrier of KB and the strong adsorption of SeS2 in synergy with each other. Theoretical calculations and experiments show that SeS2 has a strong adsorption effect on polysulfides. The lithium‐sulfur battery equipped with SeS2/KB separator has excellent electrochemical performance, maintaining a capacity of 482 mAh gS −1after 1000 cycles at 1 C current density, with a decay rate of only 0.047 % per cycle.
Material Changes in Electrocatalysis: An In Situ/Operando Focus on the Dynamics of Cobalt‐Based Oxygen Reduction and Evolution Catalysts
Authors: Kreider Melissa E. , Burke Stevens Michaela 
Published: December 2022

AbstractThe shift towards cheaper, non‐platinum group metal electrocatalyst materials for clean energy technologies is coupled with challenges in maintaining long‐term performance. For practical purposes, electrocatalytic stability typically focuses on catalyst electrochemical performance over time. However, a deeper understanding of catalyst material property changes during operation is needed to enable material‐specific design strategies for long‐term stabilization. In the last several decades, improvements in material characterization techniques have made it possible to probe the composition, structure, and degradation products of catalysts in situ/operando. Herein we review the current understanding of in situ/operando material stability of Co‐based electrocatalysts for the oxygen evolution (OER) and reduction reactions (ORR) in acidic and alkaline environments. We focus on in situ/operando materials characterization of three categories of Co‐based OER/ORR catalysts: oxides and (oxy)hydroxides, mixed‐metal catalysts, and non‐oxide materials. This review aims to compile and compare the results from multiple studies and techniques to provide insight into the role that the starting material, pH, and applied potential have on the active surface and stability of Co‐based materials. We conclude by highlighting directions that have been underexplored with opportunities for continued research including improving in situ/operando characterization, methods to probe long‐term material changes, and the development of operando studies on full‐scale devices. Using Co‐based materials as a case study, this review shows the vital role that in situ/operando characterization must play in the future of improving electrocatalyst stability.
Nitrogen and Sulfur Dual‐Doped Oxygen‐Deficient TiO2/C Composites for Superior Sodium Storage Properties
Authors: Liu Weifang , Ouyang Baixue , Liu Xichang , Zhang Mengjie , Pan Mengwei , Li Puliang , Li Huacheng , Liu Kaiyu 
Published: December 2022

AbstractSodium‐ion batteries (SIBs) have been considered as promising replacements to lithium‐ion batteries (LIBs) for large‐scale energy storage applications. For anode materials, titanium dioxide (TiO2) as a typical insertion‐type anode material have been extensively investigated as a safety, stable, cheap and environmental‐friendly anode materials for SIBs. Constructing suitable TiO2 crystal structure is a common modification strategy for improving the diffusion kinetics of sodium ion within TiO2 and its intrinsic electronic conductivity. Herein, a multi‐atomic doped oxygen‐deficient TiO2/C composites (N, S‐NTC) was successfully synthesized with excellent electrochemical performance. Synergistic effect of N, S and Ni elements on the structure, morphology and electrochemical performance was investigated. Electron Paramagnetic Resonance (EPR) spectroscopy, Raman spectroscopy and X‐ray photoelectron spectroscopy (XPS) analysis indicated that the Ni, N, S doping can introduce oxygen deficiency, narrow the bandgap of TiO2 and facilitating Na+ diffusion, further providing higher electronic/ionic conductivities and faster electron transport channel. As a consequence, the anode materials delivered ultrahigh rate performance and cycling performance of a high reversible capacity of 128.6 mA h g−1 at 1 A g−1 after 3000th cycles.
Towards Low‐Voltage and High‐Capacity Conversion‐Based Oxide Anodes by Configuration Entropy Optimization
Authors: Qian Lizhi , Li Jinliang , Lan Gongxu , Wang Yuan , Cao Sufeng , Bai Lu , Zheng Runguo , Wang Zhiyuan , Bhargava Suresh K , Sun Hongyu , Arandiyan Hamidreza , Liu Yanguo 
Published: December 2022

AbstractTransition metal oxide (TMO)‐based anodes attract much attention for lithium storage due to the merits of high theoretical capacity, facile synthesis, and easy scale‐up. Moreover, the increased working potential avoids the issue of lithium dendrites formation and thus improves battery safety. Herein, we propose a route to significantly improve the electrochemical performance of TMO anodes through configurational entropy optimization. For example, high‐entropy oxide (FeCoNiCrCu)3O4 is synthesized by carefully selecting metal elements. The (FeCoNiCrCu)3O4 electrode ensures not only low potential but also holds high capacity. In the half‐cell configuration, the (FeCoNiCrCu)3O4 electrode provides a specific capacity of 575.7 mAh g−1 after 200 cycles at 0.2 A g−1. More importantly, the electrode showed a relatively low discharge voltage of 0.39 V at 0.5 A g−1, which is caused by the configuration entropy optimization. The assembled (FeCoNiCrCu)3O4//LCO coin‐type full cell exhibits a high capacity of 266.3 mAh g−1 after 100 cycles at 0.2 A g−1 and an operating voltage up to 3.9 V.
Ionic Liquid‐Modified Silicon Nanoparticles Composite Gel Polymer Electrolyte for High‐Performance Lithium Batteries
Authors: Niu Huizhe , Ding Minling , Zhang Nan , Guo Xulong , Guan Ping , Hu Xiaoling 
Published: December 2022

AbstractThe excessive nano‐fillers in gel polymer electrolytes (GPEs) would trend to agglomeration, which will have adverse effect on the electrochemical performance. Modifying the surface properties of nano‐fillers will be an effective way for resolving the problem. In this paper, an ionic liquid (IL), (1‐(trimethoxysilylpropyl)‐3‐butylimidazole bis(trifluoromethylsulfonyl)imide, [CPIM]TFSI) is grafted onto the surface of dendritic mesoporous silica nanoparticles (DMSN), and IL‐modified DMSN (DMSN‐IL) is prepared. The prepared DMSN and DMSN‐IL are respectively introduced into a poly(vinylidene fluoride) (PVDF)‐based gel polymer electrolyte (GPE@IL) to form composite polymer electrolytes (GPE@DMSN and GPE@DMSN‐IL), and their physicochemical characteristics and electrochemical performances are investigated. Due to the surface modification, GPE@DMSN‐IL obtains high ionic conductivity of 1.69×10−3 S cm−1 at 30 °C and large Li+ transference number (0.40). Furthermore, the improved mechanical strength and interface stability enable the Li/GPE@DMSN‐IL/LiFePO4 cell to achieve high rate capacity and outstanding cycle performance at high current density, showing ability for using in high‐performance lithium batteries.
Dendrite‐Free 3D Lithium Metal Anode Formed in a Cellulose Based Separator for Lithium‐Metal Batteries
Authors: Hasegawa Takumi , Bai Fan , Mori Daisuke , Taminato Sou , Takeda Yasuo , Yamamoto Osamu , Izumi Hiroaki , Minami Hironari , Imanishi Nobuyuki 
Published: December 2022

AbstractLithium metal is the best candidate anode for high specific energy density batteries because of its high specific capacity and low negative potential. However, lithium dendrite formation and growth during the lithium plating and stripping cycles have hindered the use of lithium metal as the anode for practical batteries. Here, a mechanism for the suppression of lithium dendrite formation and growth in a composite separator of Kimwipe paper (KW) and porous polyethylene (PE) for various electrolytes was examined. The Li/KW/PE electrode in an electrolyte of 1 m Li(CFSO3)2N (LiFSI) in 1,4, dioxane (DX)‐1,2 dimethoylethane (DME) (1 : 2 v/v) with a wide electrochemical window was successfully cycled without lithium dendrite short‐circuiting at 5 mA cm−2 and 25 °C for 10 h over 25 cycles. Lithium was deposited into the cellulose fiber network during the lithium plating process, which resulted in the formation of a three‐dimensional (3D) lithium electrode. Whereas, the composite separator of KW and PE was not effective to suppress the lithium dendrite formation and growth with the conventional carbonate based electrolyte of 1 m LiPF6 in ethylene carbonate‐dimethyl carbonate.
Reagent‐Controlled Regioselective Intramolecular [2+2] Cycloaddition between Vinylsilanes and Allenes
Authors: Yoshioka Shohei , Takehara Tsunayoshi , Suzuki Takeyuki , Arisawa Mitsuhiro 
Published: December 2022

AbstractThis paper provides the first report of the intramolecular [2+2] cycloaddition of vinylsilane. The [2+2] cycloaddition of allenes is a useful reaction that can synthesize cyclobutanes. However, no previous works have attempted to control the regioselectivity between the two double bonds of allenes only by changing the reaction conditions, although there have been some reports of the regioselective [2+2] cycloaddition of allenes by changing the substrate. In this study, we have succeeded in controlling intramolecular [2+2] cycloaddition reactions at the proximal and distal positions of allenes simply by changing the reaction conditions. We found that the atomic radius of silicon is very important for perfect control of the reaction's sites. The structures of all key compounds were determined by the crystal sponge method which could identify the structures of liquid compounds.
AIE‐doped Poly(Ionic Liquid) Photonic Spheres for the Discrimination of Psychoactive Substances
Authors: Liu Chengcheng , Li Wenyun , Zhang Wanlin , Zhao Hongwei , He Guokang , Li Chi , Wang Chen , Li Guangtao 
Published: December 2022

AbstractDrugs of abuse has drawn intense attention due to increasing concerns to public health and safety. The construction of a sensing platform with the capability to identify them remains a big challenge because of the limitations of synthetic complexity, sensing scope and receptor extendibility. Here a kind of poly(ionic liquid) (PIL) photonic crystal spheres doped with aggregation‐induced emission (AIE) luminogens was developed. As diverse noncovalent interactions involve in PIL moieties, the single sphere shows different binding affinity to a broad range of psychoactive substances. Furthermore, the dual‐channel signals arising from photonic crystal structures and sensitive AIE‐luminogens provide high‐dimensional information for discriminative detection of targets, even for molecules with slight structural differences. More importantly, such single sphere sensing platform could be flexibly customized through ion‐exchange, showing great extendibility to fabricate high‐efficiency/high‐throughput sensing arrays without tedious synthesis.
Electroreduction of Carbon Dioxide to Acetate using Heterogenized Hydrophilic Manganese Porphyrins
Authors: Abdinejad Maryam , Yuan Tiange , Tang Keith , Duangdangchote Salatan , Farzi Amirhossein , Iglesias van Montfort Hugo‐Pieter , Li Mengran , Middelkoop Joost , Wolff Mädchen , Seifitokaldani Ali , Voznyy Oleksandr , Burdyny Thomas 
Published: December 2022

AbstractThe electrochemical reduction of carbon dioxide (CO2) to value‐added chemicals is a promising strategy to mitigate climate change. Metalloporphyrins have been used as a promising class of stable and tunable catalysts for the electrochemical reduction reaction of CO2 (CO2RR) but have been primarily restricted to single‐carbon reduction products. Here, we utilize functionalized earth‐abundant manganese tetraphenylporphyrin‐based (Mn‐TPP) molecular electrocatalysts that have been immobilized via electrografting onto a glassy carbon electrode (GCE) to convert CO2 with overall 94 % Faradaic efficiencies, with 62 % being converted to acetate. Tuning of Mn‐TPP with electron‐withdrawing sulfonate groups (Mn‐TPPS) introduced mechanistic changes arising from the electrostatic interaction between the sulfonate groups and water molecules, resulting in better surface coverage, which facilitated higher conversion rates than the non‐functionalized Mn‐TPP. For Mn‐TPP only carbon monoxide and formate were detected as CO2 reduction products. Density‐functional theory (DFT) calculations confirm that the additional sulfonate groups could alter the C−C coupling pathway from *CO→*COH→*COH‐CO to *CO→*CO‐CO→*COH‐CO, reducing the free energy barrier of C−C coupling in the case of Mn‐TPPS. This opens a new approach to designing metalloporphyrin catalysts for two carbon products in CO2RR.
Helping an Attractive Group that Ostracized Me: An Experimental Vignette Study
Authors: Fiset John , Al Hajj Raghid , Vongas John G. 
Published: December 2022

AbstractWe examine the impact of group attractiveness on the relationship between workplace ostracism and organizational citizenship behaviours directed toward the group (OCBG). Research has long overlooked contextual features of ostracism at work. Using an experimental vignette methodology (N = 312), we found that physical attractiveness was critical in determining the mechanism by which ostracism influenced OCBG. The victims' social anxiety served as a mediator through which ostracism influenced OCBG when the ostracizing group was deemed to be low on attractiveness. However, the negative direct effect between ostracism and OCBG was observed only when group attractiveness was high. Our findings have implications for understanding the interplay between victims' individual differences and the context in which workplace ostracism is manifested.
Conservation and divergence of the G‐interfaces of Drosophila melanogaster septins
Authors: de Freitas Fernandes Adriano , Leonardo Diego Antonio , Cavini Italo Augusto , Rosa Higor Vinícius Dias , Vargas Jhon Antoni , D'Muniz Pereira Humberto , Nascimento Alessandro S. , Garratt Richard Charles 
Published: December 2022

AbstractSeptins possess a conserved guanine nucleotide‐binding (G) domain that participates in the stabilization of organized hetero‐oligomeric complexes which assemble into filaments, rings and network‐like structures. The fruit fly, Drosophila melanogaster, has five such septin genes encoding Sep1, Sep2, Sep4, Sep5 and Pnut. Here, we report the crystal structure of the heterodimer formed between the G‐domains of Sep1 and Sep2, the first from an insect to be described to date. A G‐interface stabilizes the dimer (in agreement with the expected arrangement for the Drosophila hexameric particle) and this bears significant resemblance to its human counterparts, even down to the level of individual amino acid interactions. On the other hand, a model for the G‐interface formed between the two copies of Pnut which occupy the centre of the hexamer, shows important structural differences, including the loss of a highly favourable bifurcated salt‐bridge network. Whereas wild‐type Pnut purifies as a monomer, the reintroduction of the salt‐bridge network results in stabilizing the dimeric interface in solution as shown by size exclusion chromatography and thermal stability measurements. Adaptive steered molecular dynamics reveals an unzipping mechanism for dimer dissociation which initiates at a point of electrostatic repulsion within the switch II region. Overall, the data contribute to a better understanding of the molecular interactions involved in septin assembly/disassembly.
Undersampling of approaching the classification boundary for imbalance problem
Authors: Jiang Lei , Yuan Peng , Liao Jing , Zhang Qiongbing , Liu Jianxun , Li Keqin 
Published: December 2022

SummaryUsing imbalanced data in classification affect the accuracy. If the classification is based on imbalanced data directly, the results will have large deviations. A common approach to dealing with imbalanced data is to re‐structure the raw dataset via undersampling method. The undersampling method usually uses random or clustering approaches to trimming the majority class in the dataset, since some data in the majority class makes not contribute to classification model. In this paper a revised undersampling approach is proposed. First, we perform space compression in the vertical direction of the separating hyperplane. Then, a weighted random sampling hybrid ensemble learning method is carried out to make the sampled objects spread more widely near the separating hyperplane. Experiments with 7 under‐sampling methods on 21 imbalanced datasets show that our method has achieved good results.
Super‐Slippery Poly(Dimethylsiloxane) Brush Surfaces: From Fabrication to Practical Application
Authors: Jiao Shouzheng , Ma Deping , Cheng Zhongjun , Meng Junhui 
Published: December 2022

AbstractSuperwetting surfaces with special slippery performances have been the focus of practical applications and basic research for decades. Compared to superhydrophobic/superoleophobic and slippery liquid‐infused porous surfaces (SLIPS), liquid‐like covalently attached poly(dimethylsiloxane) (PDMS) brush surfaces have no trouble in constructing the micro/nanostructure and the loss of infused lubricant, meanwhile, it can also provide lots of new advantages, such as smooth, transparent, pressure‐ and temperature‐resistant, and low contact angle hysteresis (CAH) to diverse liquids. This paper focuses on the relationship between the wetting performance and practical functional application of PDMS brush surfaces. Recent progress of the preparation of PDMS brush surfaces and their super‐slippery performances, with a special focus on diverse functional applications were summarized. Finally, perspectives on future research directions are also discussed.
Diabetic retinopathy relates to the incidence of foot ulcers and amputations in type 2 diabetes
Authors: Borderie Gauthier , Foussard Ninon , Larroumet Alice , Blanco Laurence , Barbet‐Massin Marie‐Amélie , Ducos Claire , Rigo Marine , Arab Lila Rami , Domenge Frédéric , Mohammedi Kamel , Ducasse Eric , Caradu Caroline , Delyfer Marie‐Noelle , Korobelnik Jean‐François , Rigalleau Vincent 
Published: December 2022

AbstractAimsWe investigated whether Diabetic Retinopathy (DR) is related to Diabetic Foot Ulcer (DFU) development, adjusted for the stratification of the International Work Group on Diabetic Foot (IWGDF) guidance.Materials and MethodsDR and IWGDF stratification was registered retrospectively in patients hospitalised from 2009 to 2017 for uncontrolled and/or complicated type 2 diabetes. New DFUs were registered until 2020. Survival analyses categorised the subjects for DR, and multivariate Cox regression adjusted for confounders.ResultsThe 522 patients (57.9% male) were 62 ± 9 years old with a diabetes duration of 14 ± 10 years, HbA1c of 8.7 ± 1.8%, 33.9% macroangiopathies and 44.8% diabetic kidney diseases. Their grades of DFU risk were 0 for 43.3%, 1 for 23.9%, 2 for 7.1%, and 3 for 25.6%. During the 52 months follow‐up (Inter Quartile Range: 32–71), 58 new DFUs and 18 lower‐limb amputations occurred, mostly in patients with DR present in 140 (26.8%) patients. Adjusted for age, sex and conventional risk factors (duration and control of diabetes, arterial hypertension, and dyslipidemia), and other complications (macroangiopathy and diabetic kidney disease), DR was associated with a greater incidence of DFUs. Adjusted for the IWGDF classification, DR was related to new DFUs (HR: 2.51, 95%Confidence Interval [CI]: 1.48–4.26) and amputations (HR: 3.56, 95%CI: 1.26–10.07). This relationship persisted in ascending IWGDF grades with incidences of DFUs from 2/1000 (grade 0, no DR) to 121/1000 patient‐years (grade 3 and DR) and amputations from 0 (grade 0, no DR) to 38/1000 patient‐years (grade 3 and DR).ConclusionsDiabetic retinopathy independently relates to the incidence of foot ulcers and amputations in patients hospitalised for type 2 diabetes.