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Mo_(2)B_(2)O_(2)MBene for Efficient Electrochemical CO Reduction to C_(2)Chemicals:Computational Exploration

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Energy & Environmental Materials 2024年第6期7卷 342-350页

作者： Bikun Zhang Jianwen jiang Department of Chemical and Biomolecular Engineering National University of SingaporeSingapore 117576Singapore

Emerging as a new class of two-dimensional materials with atomically thin layers,MBenes have great potential for many important applications such as energy storage and *** mitigating carbon footprint,there has been increasing interest in CO_(2)/CO conversion on MBenes,but mostly focused on C_(1)products.C^(2+)chemicals generally possess higher energy densities and wider applications than C_(1)***,C–C coupling is technically challenging because of high energy requirement and currently few catalysts are suited for this ***,we explore electrochemical CO reduction reaction to C_(2)chemicals on Mo_(2)B_(2)O_(2)MBene via density-functional theory ***,the most favorable CO–COH coupling is revealed to be a spontaneous and barrierless process,making Mo_(2)B_(2)O_(2)an efficient catalyst for C–C *** C_(1)and C_(2)chemicals,ethanol is predicted to be the primary ***,by charge and bond analysis,it is unraveled that there exist significantly more unbonded electrons in the C atom of intermediate*COH than other C_(1)intermediates,which is responsible for the facile C–C *** an atomic scale,this work provides microscopic insight into C–C coupling process and suggests Mo_(2)B_(2)O_(2)a promising catalyst for electrochemical CO reduction to C_(2)chemicals.

关键词： C_(2)chemicals C-C coupling density-functional theory MBene Mo2B2O2

Inferring Mycobacterium Tuberculosis Drug Resistance and Transmission using Whole-genome Sequencing in a High TB-burden Setting in China

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Biomedical and Environmental Sciences 2024年第2期37卷 157-169页

作者： FAN Yu Feng LIU Dong Xin CHEN Yi Wang OU Xi Chao MAO qi Zhi YANG Ting Ting WANG Xi jiang HE Wen Cong ZHAO Bing LIU Zhen jiang ABULIMITI Maiweilanjiang AIHEMUTI Maimaitiaili GAO qian ZHAO Yan Lin Key Laboratory of Medical Molecular Virology(MOE/NHC/CAMS) School of Basic Medical SciencesShanghai Medical CollegeFudan UniversityShanghai 200032China National Tuberculosis Reference Laboratory Chinese Center for Disease Control and PreventionBeijing 102206China Hangzhou Red Cross Hospital Hangzhou 310005ZhejiangChina Xinjiang Uygur Autonomous Region Center for Disease Control and Prevention Urumqi 830026XinjiangChina Tuberculosis Dispensary of Kashgar Prefecture Kashgar 844099XinjiangChina

Objective China is among the 30 countries with a high burden of tuberculosis(TB)worldwide,and TB remains a public health *** Prefecture in the southern Xinjiang Autonomous Region is considered as one of the highest TB burden regions in ***,molecular epidemiological studies of Kashgar are *** A population-based retrospective study was conducted using whole-genome sequencing(WGS)to determine the characteristics of drug resistance and the transmission *** A total of 1,668 isolates collected in 2020 were classified into lineages 2(46.0%),3(27.5%),and 4(26.5%).The drug resistance rates revealed by WGS showed that the top three drugs in terms of the resistance rate were isoniazid(7.4%,124/1,668),streptomycin(6.0%,100/1,668),and rifampicin(3.3%,55/1,668).The rate of rifampicin resistance was 1.8%(23/1,290)in the new cases and 9.4%(32/340)in the previously treated *** resistance mutations were detected more frequently in lineage 2 strains than in lineage 3 or 4 strains,respectively:18.6%vs.8.7 or 9%,P<*** estimated proportion of recent transmissions was 25.9%(432/1,668).Multivariate logistic analyses indicated that sex,age,occupation,lineage,and drug resistance were the risk factors for recent *** the low rate of drug resistance,drug-resistant strains had a higher risk of recent transmission than the susceptible strains(adjusted odds ratio,1.414;95%CI,1.023–1.954;P=0.036).Among all patients with drug-resistant tuberculosis(DR-TB),78.4%(171/218)were attributed to the transmission of DR-TB *** Our results suggest that drug-resistant strains are more transmissible than susceptible strains and that transmission is the major driving force of the current DR-TB epidemic in Kashgar.

关键词： Mycobacterium tuberculosis Whole-genome sequencing(WGS) Transmission Drug resistance Xinjiang

Vertical two-dimensional WS_(2)flakes grown on flexible CNT film for excellent electrochemical performance

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Rare Metals 2024年第1期43卷 164-174页

作者： qian Gong Jing-Yun Zou Ming Ren Si-qi Zhu Yu-Rong Zhou Li-Ming Zhao Jian Chen Yu-Long Wu jiang-Tao Di Li-Xing Kang qing-Wen Li School of Nano-Tech and Nano-Bionics University of Science and Technology of ChinaHefei 230026China Key Laboratory of Multifunctional Nanomaterials and Smart Systems Division of Advanced MaterialsSuzhou Institute of Nano-Tech and Nano-BionicsChinese Academy of SciencesSuzhou 215123China jiangsu Key Laboratory of Micro and Nano Heat Fluid Flow Technology and Energy Application School of Physical Science and TechnologySuzhou University of Science and TechnologySuzhou 215009China

Soft electrochemical actuators that can generate mechanical motions in response to electrical stimuli can be used as artificial muscles in microscale *** electrode materials are the key component of the electrochemical actuator because they limit the ion diffusion and accumulation processes and thus affect the deformation in fast response-time and potential engineering ***-dimensional materials,such as one-dimensional(1D)CNT and two-dimensional(2D)vertically stood WS_(2),are great electrode due to their good electrochemical stability and high surface-to-volume ratios,but show limited performances when being used on their own in the actuators because of low reconstruction or low conductivity.A combination of 1D CNT and 2D WS_(2)could form a heterojunction with both high electrochemical activity and great mechanical ***,by depositing highly disordered graphene nanosheets(HDGNs)on CNT films and then WS_(2)on the formed low-dimensional nanocarbon film,a hybrid WS_(2)/HDGN/CNT film was synthesized through a multistep CVD *** grown WS_(2)nanosheets were achieved by taking advantage of HDGNs which limits CNTs ***,the volume expansion caused by the transition from WO_(3)to WS-2can force the vertical growth of WS_(2).This hybrid film shows excellent electrochemical properties,such as high specific capacitance and high rate *** actuators based on the WS_(2)/HDGN/CNT films show good actuating performance,including stability and reconfigurability.

关键词： CNT Graphene Vertically growth WS_(2) Electrochemical actuators

Drug-Target Interactions Prediction Based on Signed Heterogeneous Graph Neural Networks

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Chinese Journal of Electronics 2024年第1期33卷 231-244页

作者： Ming CHEN Yajian jiang Xiujuan LEI Yi PAN Chunyan JI Wei jiang College of Information Science and Engineering Hunan Normal University School of Computer Science Shaanxi Normal University Faculty of Computer Science and Control Engineering Shenzhen Institute of Advanced TechnologyChinese Academy of Sciences Computer Science Department BNU-HKBU United International College

Drug-target interactions(DTIs) prediction plays an important role in the process of drug *** computational methods treat it as a binary prediction problem, determining whether there are connections between drugs and targets while ignoring relational types information. Considering the positive or negative effects of DTIs will facilitate the study on comprehensive mechanisms of multiple drugs on a common target, in this work, we model DTIs on signed heterogeneous networks, through categorizing interaction patterns of DTIs and additionally extracting interactions within drug pairs and target protein pairs. We propose signed heterogeneous graph neural networks(SHGNNs), further put forward an end-to-end framework for signed DTIs prediction, called SHGNN-DTI,which not only adapts to signed bipartite networks, but also could naturally incorporate auxiliary information from drug-drug interactions(DDIs) and protein-protein interactions(PPIs). For the framework, we solve the message passing and aggregation problem on signed DTI networks, and consider different training modes on the whole networks consisting of DTIs, DDIs and PPIs. Experiments are conducted on two datasets extracted from Drug Bank and related databases, under different settings of initial inputs, embedding dimensions and training modes. The prediction results show excellent performance in terms of metric indicators, and the feasibility is further verified by the case study with two drugs on breast cancer.

关键词： Drugs Training Proteins Measurement Message passing Prediction methods Graph neural networks

Highly homogeneous zero-index metamaterials make devices more compact and perform better

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Light(Science & Applications) 2024年第5期13卷 806-807页

作者： Wei-Xiang jiang State Key Laboratory of Millimeter Waves School of Information Science and EngineeringSoutheast University210096 NanjingChina

A highly homogeneous microwave zero-index metamaterial based on high-permittivity SrTiO3 ceramics is demonstrated to realize the small-aperture high-directivity *** a novel technique is a remarkable step forward to de... 详细信息

关键词： ceramics SrTiO3 Highly

Cocktail effect of ionic patch driven by triboelectric nanogenerator for diabetic wound healing

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Chinese Chemical Letters 2024年第8期35卷 460-465页

作者： Yixia Zhang Caili Xue Yunpeng Zhang qi Zhang Kai Zhang Yulin Liu Zhaohui Shan Wu qiu Gang Chen Na Li Hulin Zhang jiang Zhao Da-Peng Yang College of Biomedical Engineering Taiyuan University of TechnologyTaiyuan 030024China College of Electronic Information and Optical Engineering Taiyuan University of TechnologyTaiyuan 030024China Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering Taiyuan 030024China College of Integrated Circuit Science and Engineering Nanjing University of Posts and TelecommunicationsNanjing 210023China School of Rehabilitation Science and Engineering University of Health and Rehabilitation SciencesQingdao 266024China School of Materials and Chemical Engineering Quanzhou Normal UniversityQuanzhou 362000China

There is increasing evidence shows that either electrical stimulation(ES)or metal ion is an effective way to accelerate ulcerative wound ***,less attention is paid to investigating the synergistic effect between ***,we explore the combined effects of ES and multiple metal ions on dia-betic wound healing assisted by a triboelectric nanogenerator(TENG).Firstly,the novel Eggshell@CuFe_(2)O_(4)nanocomposites(NCs)are prepared,which show unique structure and intrinsic antimicrobial ***,the as-prepared nanocomposites are embedded in oxidized starch hydrogel to form a mul-tifunctional composite gel,which is further assembled into a wearable ionic triboelectric nanogenerator(iTENG)patch with polydimethylsiloxane(PDMS).It can convert the mechanical energy produced by a human body motion to electric energy and mediate the sequential release of metal ions(Fe^(2+)/Ca^(2+)/Cu^(2+)),thereby resulting in the“cocktail effect”on impaired *** their effects,a satisfying healing re-sult in diabetic mouse is identified,which can effectively accelerate wound healing process by relieving inflammation,promoting angiogenesis and collagen *** work puts forward the cocktail effect of electric simulation coupled with the multiple metal ions,and opens up a new perspective in designing iTENG patch towards repair of hard-to-heal wounds.

关键词： iTENG Cocktail effect CuFe_(2)O_(4) Eggshell Diabetic wound

Comparative analysis of DNA-SIP and magnetic-nanoparticle mediated isolation (MMI) on unraveling dimethoate degraders

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Frontiers of Environmental Science & Engineering 2024年第1期18卷 59-69页

作者： Luning Lian Yi Xing Dayi Zhang Longfei jiang Mengke Song Bo jiang School of Energy and Environmental Engineering University of Science&Technology BeijingBeijing 100083China Beijing Key Laboratory of Resource-oriented Treatment of Industrial Pollutants University of Science&Technology BeijingBeijing 100083China National Environmental and Energy Science and Technology International Cooperation Base University of Science&Technology BeijingBeijing 100083China College of New Energy and Environment Jilin UniversityChangchun 130021China Guangzhou Institute of Geochemistry Chinese Academy of SciencesGuangzhou 510640China College of Natural Resources and Environment South China Agricultural UniversityGuangzhou 510642China National Engineering Laboratory for Site Remediation Technologies Beijing 100015China

Microorganisms are crucial in the bioremediation of organophosphorus pesticides. However, most functional microorganisms (> 99%) are yet to be cultivated. This study applied two cultivation-independent approaches, DNA-SIP and magnetic-nanoparticle mediated isolation (MMI), to identify the functional microorganisms in degrading dimethoate in agricultural soils. MMI identified five dimethoate degraders: Pseudomonas, Bacillus, Ramlibacter, Arthrobacter, and Rhodococcus, whereas DNA-SIP identified three dimethoate degraders: Ramlibacter, Arthrobacter, and Rhodococcus. Also, MMI showed higher resolution than DNA-SIP in identifying functional microorganisms. Two organic phosphohydrolase (OPH) genes: ophC2 and ophB, were involved in dimethoate metabolism, as revealed by DNA-SIP and MMI. The degradation products of dimethoate include omethoate, O,O,S-trimethyl thiophosphorothioate, N-methyl-2-sulfanylacetamide, O,O-diethyl S-hydrogen phosphorodithioate, O,O,O-trimethyl thiophosphate, O,O,S-trimethyl thiophosphorodithioate, and O,O,O-trimethyl phosphoric. This study emphasizes the feasibility of using SIP and MMI to explore the functional dimethoate degraders, expanding our knowledge of microbial resources with cultivation-independent approaches.

关键词： Stable isotope probing(SIP) Magnetic-nanoparticle mediated isolation(MMI) Dimethoate Biodegradation Cultivation-independent approach

KCNQ1 rs2237895 gene polymorphism increases susceptibility to type 2 diabetes mellitus in Asian populations

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World Journal of Diabetes 2024年第3期15卷 552-564页

作者： Dong-Xu Li Li-Ping Yin Yu-qi Song Nan-Nan Shao Huan Zhu Chen-Sen He jiang-Jie Sun First Clinical Medical College Anhui Medical UniversityHefei 230032Anhui ProvinceChina School of Mental Health and Psychological Sciences Anhui Medical UniversityHefei 230032Anhui ProvinceChina School of Clinical Medicine Anhui Medical UniversityHefei 230031Anhui ProvinceChina School of Health Care Management Anhui Medical UniversityHefei 230032Anhui ProvinceChina

BACKGROUND The association of single nucleotide polymorphism of KCNQ1 gene rs2237895 with type 2 diabetes mellitus(T2DM)is currently *** is unknown whether this association can be gene realized across different *** To determine the association of KCNQ1 rs2237895 with T2DM and provide reliable evidence for genetic susceptibility to *** We searched PubMed,Embase,Web of Science,Cochrane Library,Medline,Baidu Academic,China National Knowledge Infrastructure,China Biomedical Literature Database,and Wanfang to investigate the association between KCNQ1 gene rs2237895 and the risk of T2DM up to January 12,*** Manager 5.4 was used to analyze the association of the KCNQ1 gene rs2237895 polymorphism with T2DM and to evaluate the publication bias of the selected *** Twelve case–control studies(including 11273 cases and 11654 controls)met our inclusion *** the full population,allelic model[odds ratio(OR):1.19;95%confidence interval(95%CI):1.09–1.29;P<0.0001],recessive model(OR:1.20;95%CI:1.11–1.29;P<0.0001),dominant model(OR:1.27.95%CI:1.14–1.42;P<0.0001),and codominant model(OR:1.36;95%CI:1.15–1.60;P=0.0003)(OR:1.22;95%CI:1.10–1.36;P=0.0002)indicated that the KCNQ1 gene rs2237895 polymorphism was significantly correlated with susceptibility to *** stratified analysis,this association was confirmed in Asian populations:allelic model(OR:1.25;95%CI:1.13–1.37;P<0.0001),recessive model(OR:1.29;95%CI:1.11–1.49;P=0.0007),dominant model(OR:1.35;95%CI:1.20–1.52;P<0.0001),codominant model(OR:1.49;95%CI:1.22–1.81;P<0.0001)(OR:1.26;95%CI:1.16–1.36;P<0.0001).In non-Asian populations,this association was not significant:Allelic model(OR:1.06,95%CI:0.98–1.14;P=0.12),recessive model(OR:1.04;95%CI:0.75–1.42;P=0.83),dominant model(OR:1.06;95%CI:0.98–1.15;P=0.15),codominant model(OR:1.08;95%CI:0.82–1.42;P=***:1.15;95%CI:0.95–1.39;P=0.14).CONCLUSION KCNQ1 gene rs2237895 was significantly associated with susceptibility to T2DM

关键词： Type 2 diabetes mellitus KCNQ1 rs2237895 Single nucleotide polymorphism Asian populations

Operational requirements analysis method based on question answering of WEKG

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Journal of Systems Engineering and Electronics 2024年第2期35卷 386-395页

作者： ZHANG Zhiwei DOU Yajie XU Xiangqian MA Yufeng jiang jiang TAN Yuejin College of Systems Engineering National University of Defense TechnologyChangsha 410073China

The weapon and equipment operational requirement analysis(WEORA) is a necessary condition to win a future war,among which the acquisition of knowledge about weapons and equipment is a great challenge. The main challenge is that the existing weapons and equipment data fails to carry out structured knowledge representation, and knowledge navigation based on natural language cannot efficiently support the WEORA. To solve above problem, this research proposes a method based on question answering(QA) of weapons and equipment knowledge graph(WEKG) to construct and navigate the knowledge related to weapons and equipment in the WEORA. This method firstly constructs the WEKG, and builds a neutral network-based QA system over the WEKG by means of semantic parsing for knowledge navigation. Finally, the method is evaluated and a chatbot on the QA system is developed for the WEORA. Our proposed method has good performance in the accuracy and efficiency of searching target knowledge, and can well assist the WEORA.

关键词： operational requirement analysis weapons and equipment knowledge graph(WEKG) question answering(QA) neutral network