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Data-Driven Design of Single-Atom Electrocatalysts with Intrinsic Descriptors for Carbon Dioxide Reduction Reaction

Transactions of Tianjin University 2024年第5期30卷 459-469页

作者： Xiaoyun lin Shiyu Zhen Xiaohui Wang Lyudmila V.Moskaleva Peng Zhang zhi-Jian Zhao Jinlong Gong Key Laboratory for Green Chemical Technology of ministry of Education School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China Collaborative Innovation Center of Chemical Science and Engineering(Tianjin) Tianjin 300072China School of Economics and Management Tianjin University of Technology and EducationTianjin 300222China Department of Chemistry University of the Free StateP.O.Box 339Bloemfontein 9301South Africa Haihe Laboratory of Sustainable Chemical Transformations Tianjin 300192China National Industry-Education Platform of Energy Storage Tianjin UniversityTianjin 300350China Joint School of National University of Singapore and Tianjin University International Campus of Tianjin UniversityBinhai New CityFuzhou 350207FujianChina

The strategic manipulation of the interaction between a central metal atom and its coordinating environment in single-atom catalysts(SACs)is crucial for catalyzing the CO_(2)reduction reaction(CO_(2)RR).However,it remains a major *** density-functional theory calculations serve as a powerful tool for catalyst screening,their time-consuming nature poses *** paper presents a machine learning(ML)model based on easily accessible intrinsic descriptors to enable rapid,cost-effective,and high-throughput screening of efficient SACs in complex *** ML model comprehensively captures the influences of interactions between 3 and 5d metal centers and 8 C,N-based coordination environments on CO_(2)RR activity and *** reveal the electronic origin of the different activity trends observed in early and late transition metals during coordination with N *** extreme gradient boosting regression model shows optimal performance in predicting binding energy and limiting potential for both HCOOH and CO *** confirm that the product of the electronegativity and the valence electron number of metals,the radius of metals,and the average electronegativity of neighboring coordination atoms are the critical intrinsic factors determining CO_(2)RR *** developed ML models successfully predict several high-performance SACs beyond the existing database,demonstrating their potential applicability to other *** work provides insights into the low-cost and rational design of high-performance SACs.

关键词： Density functional theory Machine learning CO_(2)reduction reaction Electrocatalysts High-throughput screening

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Single-cell and bulk transcriptomics identifies a tumor-specific CD36+cancer-associated fibroblast subpopulation in colorectal cancer

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Cancer Communications 2024年第4期44卷 495-498页

作者： Jin Wang ming-Jia Xi Qing Lu Bi-Han Xia Yu-zhi Liu Jin-lin Yang Department of Gastroenterology and Hepatology West China HospitalSichuan UniversityChengduSichuanP.R.China Sichuan University-University of Oxford Huaxi Joint Center for Gastrointestinal Cancer Frontiers Science Center for Disease-Related Molecular NetworkWest China HospitalSichuan UniversityChengduSichuanP.R.China

Dear Editor,Cancer-associated fibroblasts(CAFs)are highly ver-satile and plastic cells in the tumor *** have been identified as actively involved in can-cer progression and metastasis through their various roles in remodeling the extracellular matrix,suppressing the immune response and reprogramming tumor metabolism[1].However,many challenges exist in revealing the func-tional phenotypes and mechanisms of CAFs in different cancers due to limited understanding of CAF hetero-geneity[2].

关键词： CD36 metabolism colorectal

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Frequency-dependent ferroelectric and electrocaloric properties in barium titanate-based ceramics based on Maxwell relations

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Journal of Advanced Dielectrics 2024年第2期14卷 54-62页

作者： Wanting Shu Hong Li Yanli Huang Cong lin Xiao Wu min Gao Tengfei lin Chunlin Zhao College of Materials Science and Engineering Fuzhou University Fuzhou 350108P.R.China College of Photonic and Electronic Engineering Fujian Normal University Fuzhou 350117P.R.China

In this work,the frequency dependence of ferroelectric and electrocaloric properties in barium titanate-based ceramics was studied based on Maxwell *** is found that the maximum and remnant polarization will decrease while the coercive field increases a lot with rising frequency from 0.1 to 10 Hz,indicating that polarization rotation and domain switching become difficult at high *** electrocaloric properties show the different frequency dependence at different phase *** entropy change(ΔS)and adiabatic temperature change(ΔT)are similar around/above Curie temperature(TCT,showing tiny frequency ***,ΔS andΔT display the obvious frequency dependence below T_(C),especially in the orthorhombic–tetragonal phase-transition region with a stable ferroelectric phase,and this frequency dependence becomes more obvious under a low-electric *** is also found that increasing the frequency can weaken the electric field dependence of electrocaloric *** work gives a general profile of frequency dependence for electrocaloric properties in ferroelectric ceramics.

关键词： Electrocaloric properties ferroelectric ceramics barium titanate frequency dependence

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An intelligent prediction model of epidemic characters based on multi-feature

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CAAI Transactions on Intelligence Technology 2024年第3期9卷 595-607页

作者： Xiaoying Wang Chunmei Li Yilei Wang lin Yin Qilin Zhou Rui Zheng Qingwu Wu Yuqi Zhou min Dai Information Center Third Affiliated Hospital of Sun Yat‐sen UniversityGuangzhouChina School of Computer Science Qufu Normal UniversityRizhaoChina Department of Allergy Third Affiliated Hospital of Sun Yat‐sen UniversityGuangzhou China 4Department of Otorhinolaryngology‐Head and Neck Surgery Third Affiliated Hospital of Sun Yat‐sen UniversityGuangzhouChina Department of Pulmonary and Critical Care Medicine Third Affiliated Hospital of Sun Yat‐sen UniversityGuangzhouChina Department of Traditional Chinese Medicine Third Affiliated Hospital of Sun Yat‐sen UniversityGuangzhouChina

The epidemic characters of Omicron(***-scale transmission)are significantly different from the initial variants of *** data generated by large-scale transmission is important to predict the trend of epidemic ***,the re-sults of current prediction models are inaccurate since they are not closely combined with the actual situation of Omicron *** consequence,these inaccurate results have negative impacts on the process of the manufacturing and the service industry,for example,the production of masks and the recovery of the tourism *** authors have studied the epidemic characters in two ways,that is,investigation and ***,a large amount of data is collected by utilising the Baidu index and conduct questionnaire survey concerning epidemic ***,theβ-SEIDR model is established,where the population is classified as Susceptible,Exposed,Infected,Dead andβ-Recovered persons,to intelligently predict the epidemic characters of *** thatβ-Recovered persons denote that the Recovered persons may become Sus-ceptible persons with probabilityβ.The simulation results show that the model can accurately predict the epidemic characters.

关键词： artificial intelligence big data data analysis evaluation feature extraction intelligent information processing medical applications

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Dissolved organic matter accelerates microbial degradation of 17 alpha-ethinylestradiol in the presence of iron mineral

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Journal of Environmental Sciences 2024年第5期139卷 364-376页

作者： Huan He min Shi Xiaoxia Yang Juhong Zhan Yanting lin Ziwei Guo zhicheng Liao Chaochao Lai Xiaomin Ren Bin Huang Xuejun Pan Faculty of Environmental Science and Engineering Kunming University of Science and TechnologyKunming 650500China Yunnan Provincial Key Lab of Soil Carbon Sequestration and Pollution Control Kunming 650500China Research Institute for Environmental Innovation(Suzhou)Tsinghua Suzhou 215163China

Dissolved organic matter(DOM)and iron minerals widely existing in the natural aquatic environment can mediate the migration and transformation of organic ***,the mechanism of interaction between DOM and iron minerals in the microbial degradation of pollutants deserves further *** this study,the mechanism of 17 alphaethinylestradiol(EE2)biodegradation mediated by humic acid(HA)and three kinds of iron minerals(goethite,magnetite,and pyrite)was *** results found that HA and iron minerals significantly accelerated the biodegradation process of EE2,and the highest degradation efficiency of EE2(48%)was observed in the HA-mediated microbial system with pyrite under aerobic ***,it had been demonstrated that hydroxyl radicals(HO·)was the main active substance responsible for the microbial degradation of ***·is primarily generated through the reaction between hydrogen peroxide secreted by microorganisms and Fe(II),with aerobic conditions being more *** presence of iron minerals and HA could change the microbial communities in the EE2 biodegradation *** findings provide new information for exploring the migration and transformation of pollutants by microorganisms in iron-rich environments.

关键词： Dissolved organic matter Iron mineral 17 alpha-ethinylestradiol Biodegradation

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Sorely reducing emissions of non-methane short-lived climate forcers will worsen compound flood-heatwave extremes in the Northern Hemisphere

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Advances in Climate Change Research 2024年第4期15卷 737-750页

作者： Ying-Fang LI zhi-Li WANG Ya-Dong LEI Xiao-Chao YU lin LIU Hui-Zheng CHE Xiao-Ye ZHANG State Key Laboratory of Severe Weather and Key Laboratory of Atmospheric Chemistry of China Meteorological Administration Chinese Academy of Meteorological SciencesBeijing 100081China University of Chinese Academy of Sciences Beijing 100190China

Non-methane short-lived climate forcer(SLCF)or near-term climate forcer(NTCF)emissions,as a significant driver of climate change,can be reduced to improve air *** reductions may contribute to additional warming of the climate system in the short term,thereby strongly affecting the likelihood of climate ***,there has been no quantitative assessment of the impact of non-methane SLCF mitigation on compound flood-heatwave extremes(CFHEs).This study quantitatively investigates the changes in future(2031-2050 versus 1995-2014)CFHEs and the resulting population exposure in the Northern Hemisphere(NH)due to non-methane SLCF *** used multi-model ensemble simulations under two future scenarios from the Aerosol and Chemistry Model Intercomparison Project(AerChemMIP)in the Coupled Model Intercomparison Project Phase 6(CMIP6).The two future scenarios share the same greenhouse gas(GHG)emissions but have weak(Shared Socioeconomic Pathway(SSP)3-7.0)versus strong(SSP3-7.0-lowNTCF)levels of air quality control *** results show that future non-methane SLCF reductions during 2031-2050 results in about a 7.3%±2.3%increase in grid exposure to CFHEs in the NH relative to the period *** frequency,intensity,and duration of CFHEs increase by varying *** the period 2031-2050,the frequency of CFHEs across the NH increases by 2.9±0.9 events per decade due to non-methane SLCF *** increases in CFHE frequency are more pronounced in East Asia,South Asia,Siberia,and northern and eastern North *** East and South Asia,the in-tensities of both heatwaves and floods corresponding to CFHEs increase markedly,where heatwave magnitude(HWM)increases by 0.3±0.2 K in East Asia and weighted average precipitation(WAP)increases by 18.3%±15.3%and 12.0%±4.5%in East Asia and South Asia,*** other regions,rising temperatures dominate the increase in *** regard to the duration of CFHEs,future reductions in non-methane SLC

关键词： Non-methane SLCFs CHFEs Cleaner air Population exposure

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Histone demethylase Kdm5c regulates osteogenesis and bone formation via PI3K/Akt/HIF1α and Wnt/β-catenin signaling pathways

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Genes & Diseases 2024年第1期11卷 64-66页

作者： Ying Li lingli Ding Yage Zhang Bingyu Zhou Gene Chi Wai Man min Wang Jinglan Li Yamei Liu Weiping lin Haibin Wang Sien lin Liangliang Xu Key Laboratory of Orthopaedics&Traumatology Lingnan Medical Research CenterThe First Affiliated Hospital of Guangzhou University of Chinese MedicineGuangzhou University of Chinese MedicineGuangzhouGuangdong 510000China Department of Orthopaedics&Traumatology Faculty of MedicineThe Chinese University of Hong KongPrince of Wales HospitalShatinHong Kong SAR 999077China Departments of Diagnostics of Traditional Chinese Medicine Guangzhou University of Chinese MedicineGuangzhouGuangdong 510000China Orthopaedic Research Lab Affiliated Hospital of Guangdong Medical UniversityGuangdong Medical UniversityZhanjiangGuangdong 524001China

Fractures have an extraordinarily negative impact on individuals'quality of life and functional *** or disability of fracture is a major health issue with important clinical,social,and economic implications.1 Mesenchymal stem cells(MSCs)play an indispensable role in the initiation of the fracture repair process including the formation of a callus which is replaced by new *** use of MSCs in the treatment of fractures is very attractive as they can reduce the time of healing and occurrence of nonunion.

关键词： PI3K/Akt HIF1α healing

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Degradation and biocompatibility of one-step electrodeposited magnesium thioctic acid/magnesium hydroxide hybrid coatings on ZE21B alloys for cardiovascular stents

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Journal of Magnesium and Alloys 2024年第1期12卷 120-138页

作者： Zhao-Qi Zhang Bing-zhi Li Pei-Duo Tong Shao-Kang Guan Li Wang Zheng-Hui Qiu Cun-Guo lin Rong-Chang Zeng School of Material Science and Engineering&Henan Key Laboratory of Advanced Magnesium Alloy&Key Laboratory of Materials Processing and Mold Technology(ministry of Education) Zhengzhou University100 Science RoadZhengzhou 450001China State Key Laboratory for Marine Corrosion and Protection Luoyang Ship Material Research InstituteQingdao 266101China Corrosion Laboratory for Light Metals College of Material Science and EngineeringShandong University of Science and TechnologyQingdao 266590China

Constructing a functional hybrid coating appears to be a promising strategy for addressing the poor corrosion resistance and insufficient endothelialization of Mg-based ***,the steps for preparing composite coatings are usually complicated and ***,a novel composite coating,composed of bioactive magnesium thioctic acid(MTA)layer formed by deposition and corrosion-resistant magnesium hydroxide(Mg(OH)_(2))layer grown in situ,is simply fabricated on ZE21B alloys via one-step *** electron microscopy(SEM)shows that the electrodeposited coating has a compact and uniform *** the high adhesion of the MTA/Mg(OH)_(2)hybrid coating is also confirmed by the micro-scratch *** test,scanning kelvin probe(SKP),and hydrogen evolution measurement indicate that the hybrid coating effectively reduces the degradation rate of Mg *** experiment and cell culture trial detect that the composite coating is of fine ***,the preparation mechanism of MTA/Mg(OH)_(2)hybrid coatings is discussed and *** coating shows a great potential application for cardiovascular stents.

关键词： Magnesium alloy Corrosion resistance Hybrid coating Endothelialization Biocompatibility

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Early adenocarcinoma mixed with a neuroendocrine carcinoma component arising in the gastroesophageal junction: A case report

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World Journal of Gastrointestinal Oncology 2024年第2期16卷 563-570页

作者： Yu-Qing Cheng Geng-Fang Wang Xiao-Li Zhou min lin Xin-Wen Zhang Qin Huang Department of Pathology The Affiliated Changzhou No.2 People’s Hospital of Nanjing Medical UniversityChangzhou 213164Jiangsu ProvinceChina Gastroenterology Center The Affiliated Changzhou No.2 People’s Hospital of Nanjing Medical UniversityChangzhou 213164Jiangsu ProvinceChina Graduate School Dalian Medical UniversityDalian 116044Liaoning ProvinceChina Department of Pathology Beth Israel Deaconess Medical Center and Harvard Medical SchoolBostonMA 02215United States

BACKGROUND Early adenocarcinoma mixed with a neuroendocrine carcinoma(NEC)component arising in the gastroesophageal junctional(GEJ)region is rare and even rarer in young ***,we report such a case in a 29-year-old Chinese *** SUMMARY This patient presented to our hospital with a 3-mo history of dysphagia and *** endoscopy revealed an elevated nodule in the distal esophagus 1.6 cm above the GEJ line,without Barrett’s esophagus or involvement of the gastric *** nodule was completely resected by endoscopic submu-cosal dissection(ESD).Pathological examination confirmed diagnosis of intra-mucosal adenocarcinoma mixed with an NEC component,measuring 1.5 ***,both adenocarcinoma and NEC components were positive for P53 with a Ki67 index of 90%;NEC was positive for synaptophysin and ***-generation sequencing of 196 genes demonstrated a novel germline mutation of the ERCC3 gene in the DNA repair pathway and a germline mutation of the RNF43 gene,a common gastric cancer driver gene,in addition to pathogenic somatic mutations in P53 and CHEK2 *** patient was alive without evidence of the disease 36 mo after *** Early adenocarcinoma with an NEC component arising in the distal esophageal side of the GEJ region showed evidence of gastric origin.

关键词： Adenocarcinoma Neuroendocrine carcinoma Gastroesophageal junction Next generation sequencing Case report

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Enhanced Electrical Properties of Bi_(2−x)Sb_(x)Te_(3)Nanoflake Thin Films Through Interface Engineering

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Energy & Environmental Materials 2024年第6期7卷 359-366页

作者： Xudong Wu Junjie Ding Wenjun Cui Weixiao lin Zefan Xue zhi Yang Jiahui Liu Xiaolei Nie Wanting Zhu Gustaaf Van Tendeloo Xiahan Sang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China NRC(Nanostructure Research Centre) Wuhan University of TechnologyWuhan 430070China EMAT(Electron Microscopy for Materials Science) University of AntwerpGroenenborgerlaan 171Antwerp 2023Belgium

The structure–property relationship at interfaces is difficult to probe for thermoelectric materials with a complex interfacial *** thermoelectric materials with a simple,structurally-uniform interface provides a facile way to understand how these interfaces influence the transport ***,we synthesized Bi_(2−x)Sb_(x)Te_(3)(x=0,0.1,0.2,0.4)nanoflakes using a hydrothermal method,and prepared Bi_(2−x)Sb_(x)Te_(3)thin films with predominantly(0001)interfaces by stacking the nanoflakes through spin *** influence of the annealing temperature and Sb content on the(0001)interface structure was systematically investigated at atomic scale using aberration-corrected scanning transmission electron *** and Sb doping facilitate atom diffusion and migration between adjacent nanoflakes along the(0001)*** such it enhances interfacial connectivity and improves the electrical transport *** reactions create new interfaces that increase the scattering and the Seebeck *** to the simultaneous optimization of electrical conductivity and Seebeck coefficient,the maximum power factor of the Bi_(1.8)Sb_(0.2)Te_(3)nanoflake films reaches 1.72 mW m^(−1)K^(−2),which is 43%higher than that of a pure Bi_(2)Te_(3)thin film.

关键词： Bi_(2)Te_(3)nanoflakes interface engineering scanning transmission electron microscopy thermoelectric thin film

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