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Predicting microbial extracellular electron transfer activity in paddy soils with soil physicochemical properties using machine learning

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Science China(Technological Sciences) 2024年第1期67卷 259-270页

作者： OU JiaJun LUO XiaoShan LIU junyang HUANG LinYan ZHOU LiHua YUAN Yong School of Automation Guangdong University of TechnologyGuangzhou 510006China Guangdong Key Laboratory of Environmental Catalysis and Health Risk Control Guangzhou Key Laboratory Environmental Catalysis and Pollution ControlSchool of Environmental Science and EngineeringInstitute of Environmental Health and Pollution ControlGuangdong University of TechnologyGuangzhou 510006China School of Biomedical and Pharmaceutical Sciences Guangdong University of TechnologyGuangzhou 510006China

Soil extracellular electron transfer(EET)is a pivotal biological process within the realm of soil.Unfortunately,EET suffers from a lack of predictive models.Herein,an intricately crafted machine learning model has been developed for the purpose of predicting soil EET by using the physicochemical properties of soil as independent input variables and the EET capabilities in terms of current density(j_(max))and Coulombic charge(C_(out))as dependent output variables.An autoencoder ensemble stacking(AES)model was developed to address the aforementioned issue by integrating support vector machine,multilayer perceptron,extreme gradient boosting,and light gradient boosting machine algorithms as the stacking algorithms.With 10-fold crossvalidation,the AES model exhibited notable improvements in predicting j_(max)and C_(out),with average test R^(2)values of 0.83 and 0.84,respectively,surpassing those of single machine learning(ML)models and the basic ensemble model.By utilizing partial correlation plots(PDPs),Shapley Additive explanations(SHAP)values,and SHAP decision plots,we quantitatively explained the impact and contribution of the input molecules on the AES model’s predictions of j_(max)and C_(out).In the context of the SHAP method for the AES model,total carbon(TC)was identified as the most correlated descriptor for j_(max),while total organic carbon(TOC)stood out as the most relevant descriptor for C_(out).In the prediction tasks of j_(max)and C_(out)within the AES model,employing a multitask ML approach allowed the model to benefit from the shared information of input variables,thereby enhancing its overall generalizability.This study provides a feasible tool for the prediction of soil EET from soil physiochemical properties and an advanced understanding of the relationship between soil physiochemical properties and EET capability.

关键词： extracellular electron transfer paddy soil machine learning prediction autoencoder ensemble stacking model

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Single-cluster electronics using metallic clusters:Fabrications,regulations,and applications

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Nano Research 2024年第1期17卷 65-78页

作者： Caiyun Wei Wei Xu Shurui Ji Ruiyun Huang junyang Liu Wenqiu Su Jie Bai Jiale Huang Wenjing Hong State Key Laboratory of Physical Chemistry of Solid Surfaces National Engineering Research Centre of Chemicals for Electronic ManufacturingCollege of Chemistry and Chemical Engineering&Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province(IKKEM)Xiamen UniversityXiamen 361005China

Metallic clusters,ranging from 1 to 2 nm in size,have emerged as promising candidates for creating nanoelectronic devices at the single-cluster level.With the intermediate quantum properties between metals and semiconductors,these metallic clusters offer an alternative pathway to silicon-based electronics and organic molecules for miniaturized electronics with dimensions below 5 nm.Significant progress has been made in studies of single-cluster electronic devices.However,a clear guide for selecting,synthesizing,and fabricating functional single-cluster electronic devices is still required.This review article provides a comprehensive overview of single-cluster electronic devices,including the mechanisms of electron transport,the fabrication of devices,and the regulations of electron transport properties.Furthermore,we discuss the challenges and future directions for single-cluster electronic devices and their potential applications.

关键词： single-cluster junctions electronic properties electron transport metallic clusters structure regulation

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Applying heteroatom co-doped carbon nanotube for manifesting high performance in the electrochemical reduction of aqueous nitrogen oxide by gold nanoparticles

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Nano Research 2024年第3期17卷 1151-1164页

作者： Jane Chung Haibo Yin Rong Wang Yunlong Wang junyang Zhang Yue Peng Joung Woo Han Seongyun Ryu Junhua Li State Key Joint Laboratory of Environment Simulation and Pollution Control School of EnvironmentTsinghua UniversityBeijing 100084China EHS Research Center Samsung Electronics Co.Ltd.Gyeonggi-do 18448Republic of Korea

Electrochemical NO-to-NH_(3) under ambient conditions could be a viable alternative having advantages in terms of energy consumption and exhaust gas recycling of NO,replacing a traditional ammonia synthesis method of the Haber–Bosch process.In synthesizing boron(B-)and nitrogen(N-)co-doped carbon nanotube(CNT)based gold(Au)catalysts,B-dopants elevate the conductivity of carbon nanotube by sp2 hybridization on graphene and implant B–N domains within the graphene layer,and result in facilitating the embedding amount of Au accompanied by high dispersibility with low particle size.Theoretical density functional theory(DFT)calculations elucidate that the electron cloud transmitted from B-dopant to the active site of Au induces the Lewis acidic site,and the O-distal pathway occurs following a spontaneous reaction.Increment of the electron-deficient B-doping area accompanied by N-defects and B–O edges retains the major valence state of Au as Au^(δ+),and suppresses hydrogen evolution reaction(HER)by repulsing the hindrance of H*.This record exhibits the highest faradaic efficiency(FE)of 94.7%,and NH_(3) yield rate of 1877.4μg·h^(-1)·mg_(cat)^(-1),which is the optimal yield over energy consumption in the field of the ambient reduction of aqueous NO.

关键词： boron heteroatom nitrogen defect gold nanoparticles valence states of gold electrochemical NO-to-NH3

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Genome wide association analysis identifies candidate genes for fruit quality and yield in Actinidia eriantha

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Journal of Integrative Agriculture 2024年第6期23卷 1929-1939页

作者： Yingzhen Wang Ying Wu Xinlei Wang Wangmei Ren Qinyao Chen Sijia Zhang Feng Zhang Yunzhi Lin junyang Yue Yongsheng Liu School of Horticulture Anhui Agricultural UniversityHefei 230036China School of Forestry Science and Technology Lishui Vocational and Technical CollegeLishui 323000China College of Life Science Sichuan UniversityChengdu 610064China

Quality and yield are the primary concerns in kiwifruit breeding,but research on the genetic mechanisms of fruit size,shape,and ascorbic acid(ASA)content is currently very limited,which restricts the development of kiwifruit molecular breeding.In this study,we obtained a total of 8.88 million highly reliable single nucleotide polymorphism(SNP)markers from 140 individuals from the natural hybrid offspring of Actinidia eriantha cv.‘White’using whole genome resequencing technology.A genome-wide association study was conducted on eight key agronomic traits,including single fruit weight,fruit shape,ASA content,and the number of inflorescences per branch.A total of 59 genetic loci containing potential functional genes were located,and candidate genes related to single fruit weight,fruit length,ASA content,number of inflorescences per branch and other traits were identified within the candidate interval,such as AeWUSCHEL,AeCDK1(cell cycle dependent kinase),AeAO1(ascorbic oxidase)and AeCO1(CONSTANS-like 4).After constructing an RNAi vector for AeAO1 and injecting it into the fruit of cv.‘Midao 31’to interfere with the expression of the AeAO1 gene,the results showed that the activity of ascorbic oxidase in the fruit of‘Midao 31’significantly decreased,while the content of ASA significantly increased.This study provides valuable insights into the genetic basis of variation in A.eriantha fruit traits,which may benefit molecular marker-assisted breeding efforts.

关键词： Actinidia eriantha GWAS SNP QTLs fruit quality

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Coupling Co-Ni phosphides for energy-saving alkaline seawater splitting

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Nano Research 2024年第6期17卷 4797-4806页

作者： Weijia Liu Wenxian Liu Tong Hou junyang Ding Zhigui Wang Ruilian Yin Xingyuan San Ligang Feng Jun Luo Xijun Liu State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures Guangxi Key Laboratory of Processing for Nonferrous Metals and Featured MaterialsMOE Key Laboratory of New Processing Technology for Nonferrous Metals and MaterialsSchool of ResourcesEnvironment and MaterialsGuangxi UniversityNanning 530004China College of Materials Science and Engineering Zhejiang University of TechnologyHangzhou 310014China Hebei Key Laboratory of Optic-electronic Information and Materials the College of Physics Science and TechnologyHebei UniversityBaoding 071002China School of Chemistry and Chemical Engineering Yangzhou UniversityYangzhou 225002China ShenSi Lab Shenzhen Institute for Advanced StudyUniversity of Electronic Science and Technology of ChinaShenzhen 518110China

The coupling of energy-saving small molecule conversion reactions and hydrogen evolution reaction(HER)in seawater electrolytes can reduce the energy consumption of seawater electrolysis and mitigate chlorine corrosion issues.However,the fabrication of efficient multifunctional catalysts for this promising technology is of great challenge.Herein,a heterostructured catalyst comprising CoP and Ni_(2)P on nickel foam(CoP/Ni_(2)P@NF)is reported for hydrazine oxidation(HzOR)-assisted alkaline seawater splitting.The coupling of CoP and Ni_(2)P optimizes the electronic structure of the active sites and endows excellent electrocatalytic performance for HzOR and HER.Impressively,the two-electrode HzOR-assisted alkaline seawater splitting(OHzS)cell based on the CoP/Ni_(2)P@NF required only 0.108 V to deliver 100 mA·cm^(−2),much lower than 1.695 V for alkaline seawater electrolysis cells.Moreover,the OHzS cell exhibits satisfactory stability over 48 h at a high current density of 500 mA·cm^(−2).Furthermore,the CoP/Ni_(2)P@NF heterostructured catalyst also efficiently catalyzed glucose oxidation,methanol oxidation,and urea oxidation in alkaline seawater electrolytes.This work paves a path for high-performance heterostructured catalyst preparation for energy-saving seawater electrolysis for H_(2) production.

关键词： seawater splitting heterostructure electrocatalysis hydrazine oxidation reaction hydrogen evolution reaction

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HIV-1 DNA levels in peripheral blood mononuclear cells of patients with HIV-related non-Hodgkin’s lymphoma

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Chinese Medical Journal 2023年第22期136卷 2741-2743页

作者： Zhenyan Wang Jingna Xun Zichen Song Yinzhong Shen Li Liu Jun Chen Tangkai Qi Jianjun Sun Wei Song yang Tang Shuibao Xu junyang yang Bihe Zhao Renfang Zhang Department of Infection and Immunity Shanghai Public Health Clinical CenterFudan UniversityShanghai 201508China

To the Editor:Human immunodeficiency virus(HIV)patients have an increased risk of non-Hodgkin’s lymphoma(NHL),even in the era of antiretroviral therapy(ART).[1]The specific mechanisms of HIVrelated NHL(HIV-NHL)remain unclear.It is currently thought that HIV causes lymphoma primarily through chronic immune activation and an increased risk of infection with oncoviruses.In addition,HIV may have some other mechanisms that directly contribute to the occurrence of lymphoma.[2]Even with sustained ART,HIV-DNA remains in infected cells,creating a persistent reservoir of HIV infection.It is not known whether HIV reservoirs are involved in the development of HIV-NHL.In the present study,we detected HIV-1 DNA levels in peripheral blood mononuclear cells(PBMCs)and plasma inflammatory cytokines levels in HIV-NHL,and then evaluated their effects on HIV-NHL development and prognosis.

关键词： lymphoma patients sustained

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Long-term case-fatality rate of nontuberculous mycobacterial disease in people living with HIV

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Infectious Diseases of Poverty 2022年第1期11卷 47-55页

作者： Jingjing Hu Ling Gu Yueming Shao Renfang Zhang Tangkai Qi Jianjun Sun Zhenyan Wang Wei Song yang Tang Jiangrong Wang Shuibao Xu junyang yang Yinzhong Shen Li Liu Jun Chen Hongzhou Lu School of Public Health Bengbu Medical CollegeBengbu233000AnhuiChina Department of Infectious Diseases and Immunology Shanghai Public Health Clinical CenterFudan University2901 Caolang RoadJinshan DistrictShanghai201508China Shenzhen Third People’s Hospital The Second Affiliated Hospital of Southern University of Science and TechnologyShenzhen518000China

Background:Few data are available regarding the long-term case-fatality rate(CFR)among people living with HIV(PLWH)with nontuberculous mycobacteria(NTM)disease.The aim of this study is to analyze the long-term CFR in patients with NTM disease and to identify risk factors for their death.Methods:A retrospective cohort study of 379 cases of microbiologically confirmed NTM disease in PLWH was conducted from January 1,2012,to December 31,2020,in Shanghai,China.We used Kaplan-Meier survival analysis and the log-rank test to compare the long-term CFR in patients with disseminated NTM(DNTM)and localized NTM disease.Univariate Cox proportional hazards regression analysis and a stepwise Cox proportional hazards regression model were used to estimate the predictors of long-term CFR.Results:The cohort was followed up for a median of 26 months.The total CFR was 15.7%by one year and increased to 22.6%at 5 years after the diagnosis of NTM disease.The 5-year CFR of PLWH with DNTM was significantly higher than that of PLWH with localized NTM(26.7%vs 19.6%for DNTM and localized NTM disease,respectively).Older age[hazard ratio(HR)=1.04,95%confidence interval(CI):1.02-1.06,P<0.001],comorbidity(HR=2.05,95%CI:1.21-3.49,P<0.01),DNTM(HR=2.08,95%CI:1.17-3.68,P<0.05),and HIV viral load(HR=1.32,95%CI:1.12-1.55,P<0.001)were all independent risk factors for long-term CFR.In the subgroup analysis,time to culture positivity was negatively correlated with CFR in patients with DNTM(HR=0.90,95%CI:0.82-0.98,P<0.05).Conclusions:NTM was associated with a high long-term CFR in PLWH.Further approaches to prevent NTM disease in PLWH are urgently needed.

关键词： HIV/AIDS Nontuberculous mycobacteria Case-fatality rate Risk factor

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XMe - Xiamen Molecular Electronics Code:An Intelligent and Open-Source Data Analysis Tool for Single-Molecule Conductance Measurements

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Chinese Journal of Chemistry 2024年第3期42卷 317-329页

作者： Zhichao Pan Gang Dong Chi Shang Ruihao Li Tengyang Gao Luchun Lin Huicong Duan Xiaohui Li Jie Bai Yilin Lai Wenfeng Wu Jia Shi junyang Liu Wenjing Hong State Key Laboratory of Physical Chemistry of Solid Surfaces College of Chemistry and Chemical Engineering & Institute of Artificial IntelligenceXiamen UniversityXiamenFujian361005 China School of Artificial Intelligence Guilin University of Electronic TechnologyGuilinGuangxi541004 China

Charge transport characterization of single-molecule junctions is essential for the fundamental research of single-molecule physical chemistry and the development towards single-molecule electronic devices and circuits. Among the single-molecule conductance characterization techniques,the single-molecule break junction technique is widely used in tens of worldwide research laboratories which can generate a large amount of experimental data from thousands of individual measurement cycles. However,data interpretation is a challenging task for researchers with different research backgrounds,and the different data analysis approaches sometimes lead to the misunderstanding of the measurement data and even reproducibility issues of the measurement. It is thus a necessity to develop a user-friendly all-in-one data analysis tool that automatizes the basic data analysis in a standard and widely accepted way. In this work,we present the XMe Code (Xiamen Molecular Electronics Code),an intelligent all-in-one data analysis tool for the comprehensive analysis of single-molecule break junction data. XMe code provides end-to-end data analysis that takes in the original experimental data and returns electronic characteristics and even charge transport mechanisms. We believe that XMe Code will promote the transparency of the data analysis in single-molecule electronics and the collaborations among scientists with different research backgrounds.

关键词： Molecular electronics Single-molecule studies Break junction Data science Software

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Dual-symmetry-perturbed all-dielectric resonant metasurfaces for high-Q perfect light absorption

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Chinese Optics Letters 2024年第2期22卷 200-206页

作者：葛俊洋高一骁徐雷周宁沈祥 Laboratory of Infrared Materials and Devices Research Institute of Advanced TechnologiesNingbo UniversityNingbo 315211China Key Laboratory of Photoelectric Detection Materials and Devices of Zhejiang Province Ningbo 315211China Advanced Optics&Photonics Laboratory Department of EngineeringSchool of Science and TechnologyNottingham Trent UniversityNottingham NG118NSUK School of Physics and Optoelectronic Engineering Hangzhou Institute for Advanced StudyUniversity of Chinese Academy of SciencesHangzhou 310024China Ningbo Institute of Oceanography Ningbo 315832China

We demonstrate a high-Q perfect light absorber based on all-dielectric doubly-resonant metasurface.Leveraging bound states in the continuum(BICs)protected by different symmetries,we manage to independently manipulate the Q factors of the two degenerate quasi-BICs through dual-symmetry perturbations,achieving precise matching of the radiative and nonradiative Q factors for degenerate critical coupling.We achieve a narrowband light absorption with a>600 Q factor and a>99%absorptance atλ_(0)=1550 nm on an asymmetric germanium metasurface with a 0.2λ_(0)thickness.Our work provides a new strategy for engineering multiresonant metasurfaces for narrowband light absorption and nonlinear applications.

关键词： resonant metasurface perfect light absorption bound states in the continuum

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Strengthened Dominance Relation NSGA-Ⅲ Algorithm Based on Differential Evolution to Solve Job Shop Scheduling Problem

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Computers, Materials & Continua 2024年第1期78卷 375-392页

作者： Liang Zeng junyang Shi Yanyan Li Shanshan Wang Weigang Li School of Electrical and Electronic Engineering Hubei University of TechnologyWuhan430068China Hubei Key Laboratory for High-Efficiency Utilization of Solar Energy and Operation Control of Energy Storage System Hubei University of TechnologyWuhan430068China School of Information Science and Engineering Wuhan University of Science and TechnologyWuhan430081China

The job shop scheduling problem is a classical combinatorial optimization challenge frequently encountered in manufacturing systems.It involves determining the optimal execution sequences for a set of jobs on various machines to maximize production efficiency and meet multiple objectives.The Non-dominated Sorting Genetic Algorithm Ⅲ(NSGA-Ⅲ)is an effective approach for solving the multi-objective job shop scheduling problem.Nevertheless,it has some limitations in solving scheduling problems,including inadequate global search capability,susceptibility to premature convergence,and challenges in balancing convergence and diversity.To enhance its performance,this paper introduces a strengthened dominance relation NSGA-Ⅲ algorithm based on differential evolution(NSGA-Ⅲ-SD).By incorporating constrained differential evolution and simulated binary crossover genetic operators,this algorithm effectively improves NSGA-Ⅲ’s global search capability while mitigating pre-mature convergence issues.Furthermore,it introduces a reinforced dominance relation to address the trade-off between convergence and diversity in NSGA-Ⅲ.Additionally,effective encoding and decoding methods for discrete job shop scheduling are proposed,which can improve the overall performance of the algorithm without complex computation.To validate the algorithm’s effectiveness,NSGA-Ⅲ-SD is extensively compared with other advanced multi-objective optimization algorithms using 20 job shop scheduling test instances.The experimental results demonstrate that NSGA-Ⅲ-SD achieves better solution quality and diversity,proving its effectiveness in solving the multi-objective job shop scheduling problem.

关键词： Multi-objective job shop scheduling non-dominated sorting genetic algorithm differential evolution simulated binary crossover

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