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Data-driven rational design of single-atom materials for hydrogen evolution and sensing

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Nano Research 2024年第4期17卷 3352-3358页

作者： Lei Zhou Pengfei Tian Bowei Zhang fu-zhen Xuan Shanghai Key Laboratory of Intelligent Sensing and Detection Technology East China University of Science and TechnologyShanghai 200237China School of Mechanical and Power Engineering East China University of Science and TechnologyShanghai 200237China Key Laboratory of Pressure Systems and Safety of Ministry of Education East China University of Science and TechnologyShanghai 200237China

Herein we proposed a data-driven high-throughput principle to screen high-performance single-atom materials for hydrogen evolution reaction(HER)and hydrogen sensing by combing the theoretical computations and a topology-based multi-scale convolution kernel machine learning *** the rational training by 25 groups of data and prediction of all 168 groups of single-atom materials for HER and sensing,respectively,a high prediction accuracy(>0.931 R^(2) score)was achieved by our *** show that the promising HER catalysts include Pt atoms in C_(4) and Sc atoms in C_(1)N_(3) coordination ***,Y atoms in C_(4) coordination environment and Cd atoms in C_(2)N_(2)-ortho coordination environment were predicted with great potential as hydrogen sensing *** method provides a way to accelerate the discovery of innovative materials by avoiding the time-consuming empirical principles in experiments.

关键词： machine learning single-atom materials sensing hydrogen evolution

A New Industrial Intrusion Detection Method Based on CNN-BiLSTM

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Computers, Materials & Continua 2024年第6期79卷 4297-4318页

作者： Jun Wang Changfu Si zhen Wang Qiang fu College of Computer Science and Technology Shenyang University of Chemical TechnologyShenyang110142China

Nowadays,with the rapid development of industrial Internet technology,on the one hand,advanced industrial control systems(ICS)have improved industrial production ***,there are more and more cyber-attacks targeting industrial control *** ensure the security of industrial networks,intrusion detection systems have been widely used in industrial control systems,and deep neural networks have always been an effective method for identifying cyber *** intrusion detection methods still suffer from low accuracy and a high false alarm ***,it is important to build a more efficient intrusion detection *** paper proposes a hybrid deep learning intrusion detection method based on convolutional neural networks and bidirectional long short-term memory neural networks(CNN-BiLSTM).To address the issue of imbalanced data within the dataset and improve the model’s detection capabilities,the Synthetic Minority Over-sampling Technique-Edited Nearest Neighbors(SMOTE-ENN)algorithm is applied in the preprocessing *** algorithm is employed to generate synthetic instances for the minority class,simultaneously mitigating the impact of noise in the majority *** approach aims to create a more equitable distribution of classes,thereby enhancing the model’s ability to effectively identify patterns in both minority and majority *** the experimental phase,the detection performance of the method is verified using two data *** results show that the accuracy rate on the CICIDS-2017 data set reaches 97.7%.On the natural gas pipeline dataset collected by Lan Turnipseed from Mississippi State University in the United States,the accuracy rate also reaches 85.5%.

关键词： Intrusion detection convolutional neural network bidirectional long short-term memory neural network multi-head self-attention mechanism

Sedimentary Environment and Mineralization of the Black Shale Polymetallic Layer in the Early Cambrian,SW China:Constraints from in situ LA-ICP-MS Analysis of Pyrite

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Acta Geologica Sinica(English Edition) 2024年第2期98卷 416-429页

作者： YANG zhen fu Yong LI Chao CAI Xi GUO Chuan College of Eco-Environmental Engineering Guizhou Minzu UniversityGuiyang 550025China College of Resources and Environmental Engineering Guizhou UniversityGuiyang 550025China Key Laboratory of Karst Georesources and the Environment Ministry of EducationGuizhou UniversityGuiyang 500025China National Research Center for Geoanalysis Chinese Academy of Geological SciencesBeijing 100037China

A polymetallic layer is usually developed at the bottom of the early Cambrian black shale in Guizhou *** mineral that makes up the polymetallic layer is related to the sedimentary *** analyze the differentiation mechanism between polymetallic deposits(Ni-Mo and V),the Zhijin Gezhongwu profile located in the outer shelf and the Sansui Haishan V deposit located in the lower slope are selected to study the in situ sulfur isotopes and trace elements of *** results show that δ^(34)S values of pyrite vary widely from−7.8‰to 28‰in the Gezhongwu profile,while the δ^(34)S values are relatively uniform(from 27.8‰to 38.4‰)in the Haishan *** isotopic S composition is consistent with the transition that occurs in the sedimentary phase from the shelf to the deep sea on the transgressive Yangtze platform;this indicates that the δ^(34)SO_(4)^(2−)values in seawater must be differently distributed in depositional *** sulfur in the Ni-Mo layer is produced after the mixing of seawater and hydrothermal fluid,while the V layer mainly originates from ***,the Ni-Mo and V deposits have been differentiated primarily on the basis of the combined effect of continental weathering and hydrothermal fluid.

关键词： sedimentary environment black shale polymetallic layer pyrite early Cambrian

A comparative study on characteristics of retracted publications across different open access levels

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Journal of Data and Information Science 2024年第2期9卷 22-40页

作者： Er-Te zheng Hui-zhen fu Department of Information Resources Management School of Public AffairsZhejiang UniversityHangzhou 310058China School of Information Resource Management Renmin University of ChinaBeijing 100872China

Purpose:Recently,global science has shown an increasing open trend,however,the characteristics of research integrity of open access(OA)publications have rarely been *** aim of this study is to compare the characteristics of retracted articles across different OA levels and discover whether OA level influences the characteristics of retracted ***/methodology/approach:The research conducted an analysis of 6,005 retracted publications between 2001 and 2020 from the Web of Science and Retraction Watch *** publications were categorized based on their OA levels,including Gold OA,Green OA,and *** study explored retraction rates,time lags and reasons within these ***:The findings of this research revealed distinct patterns in retraction rates among different OA *** with Gold OA demonstrated the highest retraction rate,followed by Green OA and non-OA.A comparison of retraction reasons between Gold OA and non-OA categories indicated similar proportions,while Green OA exhibited a higher proportion due to falsification and manipulation issues,along with a lower occurrence of plagiarism and authorship *** retraction time lag was shortest for Gold OA,followed by non-OA,and longest for Green *** prolonged retraction time for Green OA could be attributed to an atypical distribution of retraction reasons.A comparative study on characteristics of retracted publications across different open access levels Research limitations:There is no exploration of a wider range of OA levels,such as Hybrid OA and Bronze *** implications:The outcomes of this study suggest the need for increased attention to research integrity within the OA *** occurrences offalsification,manipulation,and ethical concerns within Green OA publications warrant attention from the scientific ***/value:This study contributes to the understanding of research integrity in the realm of OA publications,she

关键词： Open access Retracted publications Reasons for retraction Retraction time lag Bibliometrics

Mitogenome-based phylogeny of mosquitoes(Diptera:Culicidae)

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Insect Science 2024年第2期31卷 599-612页

作者： De-Hong Chen Shu-Lin He Wen-Bo fu zhen-Tian Yan Yun-Jian Hu Huan Yuan ming-Bin Wang Bin Chen Chongqing Key Laboratory of Vector Insects Institute of Entomology and Molecular BiologyChongqing Normal UniversityChongqingChina

Mosquitoes are of great medical significance as vectors of many deadly *** have been widely used in phylogenetic studies,but mitogenome knowledge within the family Culicidae is limited,and Culicidae phylogeny is far from *** this study,we surveyed the mitogenomes of 149 Culicidae species,including 7 newly sequenced *** analysis of 149 mosquito mitogenomes shows gene composition and order to be identical to that of an ancestral insect,and the AT bias,length variation,and codon usage are all consistent with that of other reported Dipteran *** analyses based on the DNA sequences of the 13 protein-coding genes from the 149 species robustly support the monophyly of the subfamily Anophelinae and the tribes Aedini,Culicini,Mansonini,Sabethini,and *** resolve ambiguous relationships between clades within the subfamily Culicinae,we performed topological tests and show that Aedini is a sister to Culicini and that Uranotaenini is a sister to(Mansonini)+(Toxorhynchitini+Sabethini).In addition,we estimated divergence times using a Bayesian relaxation clock based on the sequence data and 3 fossil calibration *** results show mosquitoes diverged during the Early Jurassic with massive Culicinae radiations during the Cretaceous,coincident with the emergence of angiosperms and the burst of mammals and ***,this study,which uses the largest number of Culicidae mitogenomes sequenced to date,comprehensively reveals the mitogenome characteristics and mitogenome-based phylogeny and divergence times of Culicidae,providing information for further studies on the mitogenome,phylogeny,evolution,and taxonomic revision of Culicidae.

关键词： characterization Culicidae evolution mitogenomes mosquitoes phylogeny

Antibonding orbital tailor and stress relief engineering for FeS2 complex toward superior sodium storage

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Rare Metals 2024年第10期43卷 5048-5059页

作者： You-Bin Zhang zhen-Guo Qi fu-Sheng Liu Guo-Hui Qin State Key Laboratory Base for Eco-Chemical Engineering College of Chemical EngineeringQingdao University of Science and Technology Shandong Synergetic Innovation Center of Ecological and Chemical Engineering

The sluggish kinetics behaviors and vast volume variations of Na+hosts to FeS2anode involved intercalation,and conversion reactions plague its applicability of sodium-ion batteries （SIBs）.Here,a significantly expedited kinetics via cation intercalation and considerably relieved stress accumulation by constructing the concave scaffold protector are approached for *** Mn2+intercalation into FeS2,a new stable Mn–FeS2was generated with distorted coordination;elevated antibonding orbital occupancy and lowed d band center to the release of more free Na+were achieved,which was further encapsulated by hollow bowl-like carbon spheres （BC）This cation intercalation and concave morphology strategies confer Mn–FeS2@BC significantly enhanced electron ion transport kinetics via reversed electron transfer to FeS2fast desolvation kinetics,and evidently depressed structural deformation during Na+insertion and ***,Mn–FeS2@BC delivers the longevity and stable Na+storage capacity in both half and full cell ***,Mn–FeS2@BC also displays excellen adaptability in a wider temperature *** work proposes new views into the deep regulation of electrochemical performance of transition metal anodes via intercalation chemistry and concave engineering.

关键词： Concave engineering FeS2 Intercalation chemistry Sodium capture

Controlling reversible complexation-mediated polymerization(RCMP)via deep eutectic solvents:fast kinetics,narrow molecular weight distribution and mechanistic insights

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Science China Chemistry 2024年第8期67卷 2728-2736页

作者： Xin fu zhen Lu Shen Li zheng-Hong Luo Lin-Xi Hou Department of Materials-Oriented Chemical Engineering College of Chemical EngineeringFuzhou UniversityFuzhou 350116China Department of Chemical Engineering School of Chemistry and Chemical EngineeringState Key Laboratory of Metal Matrix CompositesShanghai Jiao Tong UniversityShanghai 200030China Chemical Engineering Zhicheng College of Fuzhou UniversityFuzhou 350116China Qingyuan Innovation Laboratory Quanzhou 362801China

The exploitation of new green polymerization avenues for the effective synthesis of polymers by reversible-deactivation radical polymerization plays a critical role in pursuing the development of polymeric *** this work,serials of deep eutectic solvents(DES)with intermolecular-hydrogen-bonding interaction were constructed as catalysts and medium for actuating reversible complexation-mediated polymerization(RCMP)for the first time,yielding methacrylate polymers with high monomer conversion and narrow dispersion molecular weight in both water and oil *** mechanism and elementary reaction of RCMP were explored deeply,revealing that the complexation of initiator with DES to generate radicals was a ratecontrolling step and intermolecular-hydrogen-bond was primary factor to influence polymerization ***,the insights of density functional theory calculations revealed that negative electrostatic potential ensured nucleophilic *** investigation demonstrated the considerable potential of DES for RCMP,which is anticipated for other polymerization applications as a novel medium mode.

关键词： deep eutectic solvent reversible complexation-mediated polymerization intermolecular hydrogen bonding density functional theory elementary reaction steps

Testing the first law of black hole mechanics with gravitational waves

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Science China(Physics,Mechanics & Astronomy) 2024年第10期67卷 76-82页

作者： Chao-Wan-zhen Wang Jin-Bao Zhu Guo-Qing Huang fu-Wen Shu Department of Physics Nanchang UniversityNanchang 330031China Center for Relativistic Astrophysics and High Energy Physics Nanchang UniversityNanchang 330031China GCAP-CASPER Physics DepartmentBaylor UniversityWaco 76798-7316USA

The successful observation of gravitational waves has provided humanity with an additional method to explore the universe,particularly black *** this study,we utilize data from LIGO and Virgo gravitational wave observations to test the first law of black hole mechanics,employing two different *** consider the secondary compact object as a perturbation to the primary black hole before the merger,and the remnant black hole as a stationary black hole after the *** the pre-merger and post-merger analysis,our results demonstrate consistency with the first law,with an error level of approximate 25%at a68%credibility level for *** the full inspiral-merger-ringdown analysis,our results show consistency with the first law of black hole mechanics,with an error level of about 6%at a 68%credibility level and 10%at a 95%credibility level for ***,we observe that the higher the mass ratio of the gravitational wave source,the more consistent our results are with the first law of black hole ***,our study sheds light on the nature of compact binary coalescence and their implications for black hole mechanics.

关键词： gravitational waves black hole mechanics data analysis ringdown

Impact of metabolic syndrome components on clinical outcomes in hypertriglyceridemia-induced acute pancreatitis

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World Journal of Gastroenterology 2024年第35期30卷 3996-4010页

作者： zhen-Hua fu Zi-Yue Zhao Yao-Bing Liang Dong-Yu Cheng Jian-ming Luo Hai-Xing Jiang Shan-Yu Qin Department of Gastroenterology The First Affiliated Hospital of Guangxi Medical UniversityNanning 530021Guangxi Zhuang Autonomous RegionChina

BACKGROUND The incidence of hypertriglyceridemia(HTG)-induced acute pancreatitis(AP)is steadily increasing in China,becoming the second leading cause of *** complications and outcomes associated with HTG-AP are generally more severe than those seen in AP caused by other ***-AP is closely linked to metabolic dysfunction and frequently coexists with metabolic syndrome or its ***,the impact of metabolic syndrome components on HTGAP clinical outcomes remains *** To investigate the impact of metabolic syndrome component burden on clinical outcomes in *** In this retrospective study of 255 patients diagnosed with HTG-AP at the First Affiliated Hospital of Guangxi Medical University,we collected data on patient demographics,clinical scores,complications,and clinical ***,we analyzed the influence of the presence and number of individual metabolic syndrome components,including obesity,hyperglycemia,hypertension,and low high-density lipoprotein cholesterol(HDL-C),on the aforementioned parameters in HTG-AP *** This study found that metabolic syndrome components were associated with an increased risk of various complications in HTG-AP,with low HDL-C being the most significant risk factor for clinical *** risk of complications increased with the number of metabolic syndrome *** for age and sex,patients with highcomponent metabolic syndrome had significantly higher risks of renal failure[odds ratio(OR)=3.02,95%CI:1.12-8.11)],SAP(OR=5.05,95%CI:2.04-12.49),and intensive care unit admission(OR=6.41,95%CI:2.42-16.97)compared to those without metabolic *** The coexistence of multiple metabolic syndrome components can synergistically worsen the clinical course of HTGAP,making it crucial to monitor these components for effective disease management.

关键词： Hypertriglyceridemia-induced acute pancreatitis Metabolic syndrome High density lipoprotein cholesterol Obesity Hyperglycemia Hypertension Clinical outcomes