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BioKG-CMI: a multi-source feature fusion model based on biological knowledge graph for predicting circRNA-miRNA interactions

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Science China(Information Sciences) 2024年第8期67卷 343-344页

作者： Mengmeng WEI Lei WANG Yang LI Zhengwei LI Bowei ZHAO Xiaorui SU Yu WEI Zhuhong YOU school of Computer Science and technology China University of Mining and Technology school of Information Science and Engineering Zaozhuang University school of Computer Science and Information Engineering Hefei University of Technology Xinjiang Technical Institute of Physics & chemistry Chinese Academy of Sciences school of Information Engineering Xijing University school of Computer Science Northwestern Polytechnical University

Increasing experimental evidence has shown that circRNA has the potential to serve as a biomarker for disease diagnosis and prognosis, especially in cancer [1]. circ RNA actively participates in numerous pathological processes by serving as an miRNA sponge. Consequently, the precise prediction of circRNA-miRNA interactions(CMIs) is crucial for narrowing down the scope of biological experiments and expediting the research and development of disease treatments.

关键词： Knowledge graph

Recent progress of in situ/operando characterization techniques for electrocatalytic energy conversion reaction

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Chinese Chemical Letters 2024年第9期35卷 92-101页

作者： Zhao Li Huimin Yang Wenjing Cheng Lin Tian school of Materials and Chemical Engineering Xuzhou University of TechnologyXuzhou 221018China University and College Key Lab of Natural Product chemistry and Application in Xinjiang School of Chemistry and Environmental ScienceYili Normal UniversityYining 835000China

Catalysts can significantly promote the reaction dynamics and are therefore considered crucial components for achieving high electrochemical energy conversion ***,the active sites of the catalysts,particularly for nano-level and atomic-level catalysts commonly undergo reconstruction under practical ***,obtaining an in-depth and systematic understanding on the real active sites through in situ/operando characterization techniques is a prerequisite for establishing the structureperformance relationship and guiding the future design of more efficient ***,we summarize the recent progress of in situ/operando characterization techniques for identifying the nature of active sites of electrocatalysts when used in electrocatalytic energy conversion ***,our focus lies in the fundamental principles of various in situ/operando characterization techniques,with particular emphasis on their applications for electrocatalytic *** that,the challenges and perspective insights are also added in the final section to highlight the future direction of this important field.

关键词： In situ techniques Electrocatalysis Active sites Energy conversion

A weak but inert hindered urethane bond for high-performance dynamic polyurethane polymers

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Chinese Chemical Letters 2024年第5期35卷 238-243页

作者： Fangzhou Wang Wentong Gao Chenghui Li State Key Laboratory of Coordination chemistry School of Chemistry and Chemical EngineeringCollaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210023China school of Materials Science and Engineering Nanjing Institute of TechnologyNanjing 211167China

Covalent adaptable networks(CANs),which share the properties of both thermosets and thermoplastics at the same time,are desirable for many *** bulky substituents is a feasible way to design dynamic covalent bonds for constructing CANs,as evidenced by the successful implementation in CANs based on hindered urea bonds(HUBs).However,the dynamicity induced by introducing bulky substituents always come with low bond energy,resulting in low mechanical strength and poor stability of the ***,we designed a novel hindered urethane bond,which is weak in thermodynamic(K_(eq)=1701.23 L/mol at 25℃)and inert in kinetic at low temperature,but stable in thermodynamic(K_(eq)=1.54×10^(4) L/mol at 100℃)and active in kinetic at high temperature(k_(-1)=0.105 h^(-1) at 80℃ and 0.315 h^(-1) at 120℃).As a result,the polyurethane based on it exhibits high mechanical properties(with Youngs’modulus of 1011±29MPa and flexible modulus reached 1833±50MPa)and excellent reversibility(can be reprocessed at 60℃ under 100 kPa in 30 min and completely healed at 40℃ in 10 min).Moreover,unlike to many CANs based on hindered urea bonds,our dynamic polyurethanes are highly stable in humid environment or even water solutions due to the slow hydrolysis *** highperformance dynamic polyurethane polymers are attractive for many applications.

关键词： Covalent adaptable networks Urethane bond Kinetics Thermodynamics

Defect engineering in transition-metal(Fe,Co,andNi)-based electrocatalysts for water splitting

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Carbon Energy 2024年第6期6卷 165-199页

作者： Kaili Wu Chaojie Lyu Jiarun Cheng Weifan Ding Jiwen Wu Qian Wang Woon-Ming Lau Jinlong Zheng Beijing Advanced Innovation Center for Materials Genome Engineering University of Science and Technology BeijingBeijingChina school of chemistry and Chemical Engineering Linyi UniversityLinyiChina Institute for Advanced Materials and technology University of Science and Technology BeijingBeijingChina Shunde Innovation school University of Science and Technology BeijingFoshanChina

Electrocatalytic water splitting seems to be an efficient strategy to deal with increasingly serious environmental problems and energy crises but still suffers from the lack of stable and efficient *** practical electrocatalysts by introducing defect engineering,such as hybrid structure,surface vacancies,functional modification,and structural distortions,is proven to be a dependable solution for fabricating electrocatalysts with high catalytic activities,robust stability,and good *** review is an overview of some relevant reports about the effects of defect engineering on the electrocatalytic water splitting performance of *** detail,the types of defects,the preparation and characterization methods,and catalytic performances of electrocatalysts are presented,emphasizing the effects of the introduced defects on the electronic structures of electrocatalysts and the optimization of the intermediates'adsorption energy throughout the ***,the existing challenges and personal perspectives of possible strategies for enhancing the catalytic performances of electrocatalysts are *** in-depth understanding of the effects of defect engineering on the catalytic performance of electrocatalysts will light the way to design high-efficiency electrocatalysts for water splitting and other possible applications.

关键词： defect engineering electrocatalytic water splitting element doping interfacial engineering vacancy

Efficient wide-bandgap perovskite solar cells with open-circuit voltage deficit below 0.4 V via hole-selective interface engineering

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Science China chemistry 2024年第6期67卷 2102-2110页

作者： Xiaoyu Ji Shuo Zhang Furong Yu Huidong Zhang Liqing Zhan Yue Hu Wei-Hong Zhu Yongzhen Wu Key Laboratory for Advanced Materials and Joint International Research Laboratory of Precision chemistry and Molecular Engineering Shanghai Key Laboratory of Functional Materials ChemistryFrontiers Science Center for Materiobiology and Dynamic ChemistryInstitute of Fine ChemicalsSchool of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai200237China school of chemistry University of EdinburghKing’s BuildingsEdinburghEH93FJUK

Wide-bandgap mixed-halide perovskite solar cells(WBG-PSCs)are promising top cells for efficient tandem photovoltaics to achieve high power conversion efficiency(PCE)at low ***,the open-circuit voltage(V_(OC))of WBG-PSCs is still unsatisfactory as the V_(OC)-deficit is generally larger than 0.45 ***,we report a buried interface engineering strategy that substantially improves the V_(OC)of WBG-PSCs by inserting amphiphilic molecular hole-selective materials featuring with a cyanovinyl phosphonic acid(CPA)anchoring group between the perovskite and *** assembly and redistribution of CPA-based amphiphilic molecules at the perovskite-substrate buried interface not only promotes the growth of a low-defect crystalline perovskite thin film,but also suppresses the photo-induced halide phase *** energy level alignment between wide-bandgap perovskite and the hole-selective layer is further improved by modulating the substituents on the triphenylamine donor moiety(methoxyls for MPA-CPA,methyls for Me PA-CPA,and bare TPA-CPA).Using a 1.68 e V bandgap perovskite,the Me PA-CPA-based devices achieved an unprecedentedly high V_(OC)of 1.29 V and PCE of 22.3%under standard AM 1.5 *** V_(OC)-deficit(<0.40 V)is the lowest value reported for *** work not only provides an effective approach to decreasing the V_(OC)-deficit of WBG-PSCs,but also confirms the importance of energy level alignment at the charge-selective layers in PSCs.

关键词： cyanovinyl phosphonic acid energy level alignment hole-selective material open-circuit voltage wide-bandgap perovskite

Recent advances and applications of single atom catalysts based electrochemical sensors

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Nano Research 2024年第4期17卷 2994-3013页

作者： Mingyue Wang Mingfu Ye Jieyue Wang Yong Xu Zhendong Wang Xinyue Tong Xinya Han Kui Zhang Wenhai Wang Konglin Wu Xianwen Wei Institute of Clean Energy and Advanced Nanocatalysis(iClean) School of Chemistry and Chemical EngineeringAnhui University of TechnologyMaanshan 243002China school of Materials Science and Engineering Anhui University of TechnologyMaanshan 243002China Anhui International Research Center of Energy materials green manufacturing and biotechnology School of Chemistry and Chemical EngineeringAnhui University of TechnologyMaanshan 243002China Carbon Cycle and Emission Control Research Center Low-Carbon Research InstituteAnhui University of TechnologyMaanshan 243002China

Single atom catalysts(SACs)have attracted considerable attention due to their unique structures and excellent catalytic performance,especially in the area of catalysis science and energy conversion and *** recent years,SACs have emerged as a new type of sensing material for constructing electrochemical sensors(ECSs),presenting excellent sensitivity,selectivity,and ***,we review the recent advances of SACs in electrochemical sensing and discuss the status quo of current SAC-based ***,the fundamentals of SAC-based ECSs are outlined,including the involved central metal atoms and various supports of SACs in this field,the detection mechanisms,and improving strategies of SAC-based ***,the important applications of SAC-based ECSs are listed and classified,covering the detection of reactive oxygen and nitrogen species,environmental pollutants,disease biomarkers,and ***,based on abundant reported cases,the current conundrums of SAC-based ECSs are summarized,and the prediction of their future developing trends is also put forward.

关键词： single atom catalysts(SACs) electrochemical sensors(ECSs) reactive oxygen and nitrogen species environmental pollutants disease biomarkers pharmaceuticals

Efficient hydrogen production from high-concentration aqueous formic acid over bio-basedγ-Mo_(2)N catalysts

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Carbon Resources Conversion 2024年第3期7卷 8-16页

作者： Zeyu Liu Song Yang Yanyan Yang Wenyao Guo Jianfei Wang Bixi Wang Xin Gao Ting Wang Shoujun Liu Zhongliang Yu College of chemistry Taiyuan University of TechnologyTaiyuan 030024China school of chemistry and Environmental Science Shangrao Normal UniversityShangrao 334001China Engineering Center of Civil Clean Fuel Taiyuan 030024China College of Chemical Engineering and technology Taiyuan University of TechnologyTaiyuan 030024China school of chemistry and Chemical Engineering Kunming UniversityKunming 650214China

Formic acid is regarded to be one of the most prospective hydrogen *** screening of the fitting non-noble-metal-based heterogeneous catalysts to substitute the expensive noble-metal-based ones for FA dehydrogenation is considered as a key to the commercial application for hydrogen ***,dehydrogenation of liquid neat FA achieved a gas production value of 1753.5 mL/gcat./h at 94℃by using a biomass-derivedγ-Mo_(2)N based catalyst synthesized from the earth-abundant molybdenum and soybean with a facile pyrolysis *** effect of material ratio,pyrolysis temperature on the catalytic performance of FA dehydrogenation were studied in *** particular,the catalyst obtained at a pyrolysis temperature of 700℃,weight ratios of ammonium molybdate to soybean of 0.2/1 exhibited the highest *** addition,the catalytic activity increased with the increase of FA concentration,but conversely,the dehydrogenation selectivity decreased with the increasing FA ***,it was found that the Bio-Mo_(2)N catalyst was rather stable over the 40 h continuous reaction period.

关键词： Formic acid Non-noble-metal catalyst Dehydrogenation Hydrogen Molybdenum nitride

Catalytic C-H activation-initiated transdiannulation:An oxygen transfer route to ring-fluorinated tricyclic γ-lactones

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Chinese Chemical Letters 2024年第9期35卷 145-149页

作者： Qiuyun Li Yannan Zhu Yining Wang Gang Qi Wen-Juan Hao Kelu Yan Bo Jiang school of chemistry and Chemical Engineering Yancheng Institute of TechnologyYancheng 224051China school of chemistry&Materials Science Jiangsu Normal UniversityXuzhou 221116China Key Laboratory of Life-Organic Analysis of Shandong Province School of Chemistry and Chemical EngineeringQufu Normal UniversityQufu 273165China

Catalytic C–H activation-initiated annulation reactions have emerged as a versatile strategy for the efficient construction of diverse ring structural units and complex cyclic molecules in synthetic ***,we describe a new Rh(Ⅲ)-catalyzed C–H activation-initiated transdiannulation reaction of N,Ndimethyl enaminones with gem-difluorocyclopropenes in the presence of H_(2)O,enabling a facile and oxygen transfer access to ring-fluorinated tricyclicγ-lactones with a 6-5 ring-junction tetrasubstituted *** approach features bond-forming/annulation efficiency,good functional group tolerance and complete regioselectivity,which may include a complex process consisting of Rh(Ⅲ)-catalyzed C(sp2)–H activation,cyclic alkene insertion,defluorinated ring-opening of gem-difluorocyclopropane,intramolecular oxygen transfer,intramolecular cyclization and oxidative hydration.

关键词： C-H bond activation Enaminones Transannulation Oxygen transfer Regioselectivity

Tuning Li/Ni mixing by reactive coating to boost the stability of cobalt-free Ni-rich cathode

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Journal of Energy chemistry 2024年第10期97卷 20-29,I0002页

作者： Fanghui Du Xitong Zhang Yingchao Wang Lei Ding Pengfang Zhang Lingyang Liu Dong Wang Jianzong Man Yuling Chen Yunwu Li Shandong Provincial Key Laboratory of Chemical Energy Storage and Novel Cell technology and School of Chemistry and Chemical EngineeringLiaocheng UniversityLiaocheng 252000ShandongChina school of Materials Science and Engineering Yancheng Institute of TechnologyYancheng 224051JiangsuChina

Cobalt-free cathode materials are attractive for their high capacity and low cost,yet they still encounter issues with structural and surface ***_(4),in particular,has garnered attention as an effective stabilizer for bulk and ***,the impact of interfacial reactions and elemental interdiffusion between AlPO_(4) and LiNi_(0.95)Mn_(0.05)O_(2) upon sintering on the bulk and surface remains *** this study,we demonstrate that during the heat treatment process,AlPO_(4) decomposes,resulting in Al doping into the bulk of the cathode through elemental ***,PO_(4)^(3-)reacts with the surface Li of material to form a Li_3PO_(4) coating,inducing lithium deficiency,thereby increasing Li/Ni *** suitable Li/Ni mixing,previously overlooked in AlPO_(4) modification,plays a pivotal role in stabilizing the bulk and surface,exceeding the synergy of Al doping and Li_3PO_(4) *** presence of Ni^(2+)ions in the lithium layers contributes to the stabilization of the delithiated structure via a structural pillar ***,suitable Li/Ni mixing can stabilize the lattice oxygen and electrode-electrolyte interface by increasing oxygen removal energy and reducing the overlap between the Ni^(3+/4+)e_g and O^(2-)2p *** findings offer new perspectives for the design of stable cobalt-free cathode materials.

关键词： Cobalt-free Ni-rich cathode Li/Ni mixing Al doping Li_(3)PO_(4) coating Lithium-ion batteries