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Rare Metals 2024年第7期43卷 3107-3117页

作者： Xin-Yang liu jing-wei liu Gang Li jing-Xiang Zhao College of Chemistry and Chemical Engineering Harbin Normal UniversityHarbin 150025China

Subnanometer metal clusters play an increasingly important role in heterogeneous catalysis due to their high catalytic activity and *** this work,by means of the density functional theory(DFT) calculations,the catalytic activities of transition metal clusters with precise numbers of atoms supported on graphdiyne(TM_(1-4)@GDY,TM=V,Cr,Mn,Fe,Co,Ni,Cu,Ru,Rh,Pd,Ir,Pt) were investigated for oxygen evolution reactions(OER),oxygen reduction reactions(ORR) and hydrogen evolution reactions(HER).The computed results reveal that the Pd_(2),Pd_(4) and Pt_(1) anchored graphdiyne can serve as trifunctional catalysts for OER/ORR/HER with the overpotentials of 0.49/0.37/0.06,0.45/0.33/0.12 and 0.37/0.43/0.01 V,respectively,while Pd_(1) and Pt_(2)@graphdiyne can exhibit excellent catalytic performance for water splitting(OER/HER) with the overpotentials of 0.55/0.17 and 0.43/0.03 *** addition,Ni_(1) and Pd_(3) anchored GDY can perform as bifunctional catalysts for metal-air cells(OER/ORR) and fuels cells(ORR/HER) with the overpotentials of 0.34/0.32 and 0.42/0.04 V,***,by precisely controlling the numbers of atoms in clusters,the TM_(1-4) anchored graphdiyne can serve as promising multifunctional electrocatalysts for OER/ORR/HER,which may provide an instructive strategy to design catalysts for the energy conversation and storage devices.

关键词： Density functional theory Graphdiyne Single-cluster catalysts Multifunctional electrocatalysts Overpotential

Molecular Characteristics of Cephalosporin-Resistant Neisseria gonorrhoeae Strains in China:A Retrospective Study

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International Journal of Dermatology and Venereology 2024年第2期7卷 78-83页

作者： Jin Zhang Xiao-Yu Zhu jing-wei liu Yue-Ping Yin Shao-Chun Chen Reference Laboratory for STD Control Hospital for Skin Diseases(Institute of Dermatology)Chinese Academy of Medical Sciences&Peking Union Medical CollegeNanjingJiangsu 210042China National Center for STD Control Chinese Center for Disease Control and PreventionNanjingJiangsu 210042China

Objective:An increasing level of antimicrobial resistance to extended-spectrum cephalosporins has been reported,so we conducted this study to investigate the molecular characteristics of cephalosporin resistant Neisseria gonorrhoeae(NG)strains isolated from China Gonococcal Antimicrobial Resistance Surveillance Programme(China-GRSP).Methods:In total,2,038 NG isolates were collected from the China-GRSP between 2015 and *** multiantigen sequence typing(NG-MAST),multilocus sequence typing(MLST),and NG sequence typing for antimicrobial resistance(NG-STAR)were used to determine characteristics and resistant determinants of cephalosporin-resistant *** results are described as ***:Seventy-four(3.6%)cephalosporin-resistant isolates were ***_(ST7363)was the most prevalent MLST among cefixime-resistant(CFX-R)isolates,whereas MLST_(ST7365)(n=8)in was the most prevalent sequence type among ceftriaxone-resistant(CRO-R)***-R strains were mainly associated with penA-X(n=27,44.3%),penA-XIII(n=6,9.8%),penA-XVIII(n=5,8.2%),and CRO-R strains were mainly related to penA-XVIII(n=10,25.6%),penA-43(n=9,23.1%),penA-XIII(n=7,17.9%).Conclusion:The main conclusion of this study is that the predominant cephalosporin-resistant clones in China include locally emerged and imported *** CFX-R and CRO-R strains are primarily related to penA mutations,and their predominant genotypes are *** the increase in international travel,tracking high-risk-resistant clones and identifying outbreaks and their associations with epidemiological characteristics are critical to improve public health.

关键词： gonorrhea resistance cephalosporin cefixime ceftriaxone

Impact of Carbon Chain Structures in the Backbone on the Flexibility of Modified Polyarylene Sulfide Resins: Molecular Dynamics Simulations and Mesoscopic Analysis

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Chinese Journal of Polymer Science 2024年第4期42卷 544-557页

作者： Chi Zhang Rong liu jing-Yuan liu Wen-wei Jiang Key Laboratory of Fine Chemical Engineering and Functional Materials School of Chemical EngineeringSichuan UniversityChengdu610065China

In the domain of high-performance engineering polymers, the enhancement of mechanical flexibility in poly(phenylene sulfide) (PPS) resins has long posed a significant challenge. A novel molecular structure, designated as PP-He-IS, wherein imide rings and an aliphatic hexylene chain are covalently incorporated into the PPS backbone to enhance its flexibility, is introduced in this study. Molecular dynamics (MD) simulations are employed to systematically explore the effects of diversifying the backbone chain structures by substituting phenyl units with alkyl chains of varying lengths, referred to as PP-A-IS where “A” signifies the distinct intermediary alkyl chain configurations. Computational analyses reveal a discernable decrement in the glass transition temperature (Tg) and elastic modulus, counterbalanced by an increment in yield strength as the alkyl chain length is extended. Notably, the PP-He-IS variant is shown to exhibit superior yield strength while simultaneously maintaining reduced elastic modulus and Tg values, positioning it as an advantageous candidate for flexible PPS applications. Mesoscopic analyses further indicate that structures such as PP-He-IS, PP-Pe-IS, and PP-Bu-IS manifest remarkable flexibility, attributable to the presence of freely rotatable carbon-carbon single bonds. Experimental validation confirms that a melting temperature of 504 K which is lower than that of conventional PPS, and lower crystallinity are exhibited by PP-He-IS, thereby affording enhanced processability without compromising inherent thermal stability. Novel insights into the strategic modification of PPS for mechanical flexibility are thus furnished by this study, which also accentuates the pivotal role played by molecular dynamics simulations in spearheading high-throughput investigations in polymer material modifications.

关键词： Molecular dynamics simulations Polyarylene Sulfide Main-chain modifications Flexibility Aliphatic hexylene chain

A highly sensitive fluorescent HClO probe for discrimination between cancerous and normal cells/tissues

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Chinese Chemical Letters 2024年第6期35卷 417-420页

作者： Linfang Wang jing liu Minghao Ren wei Guo Department of Chemistry Changzhi UniversityChangzhi 046011China School of Chemistry and Chemical Engineering Shanxi UniversityTaiyuan 030006China

Elevated level of hypochlorous acid(HClO)is closely associated with cancer *** HClO level in cancer cells would provide important evidence in either early-stage cancer diagnostics or monitoring of its treatment *** this work,a new pyronine-based fluorescent probe for rapid and sensitive detection of HClO was developed by condensing meso-formyl pyronine(PyCHO)with 2-hydrazinopyridine to form meso-pyridylhydrazone-functionalized pyronine PyHP,PyHP is nonfluorescent due to the excited-state C=N isomerization nonradiative decay,whereas the HClO-triggered formation of meso-triazolopyridyl pyronine PyTP abolishes the C=N isomerization and thus greatly enhances the *** the probe,the cancer cells/tumor were distinguished with high-contrast from normal ones by laser confocal fluorescence imaging,and the tumor-to-normal(T/N)ratios obtained exceed the clinically acceptable threshold of ***,its capability of in vivo imaging tumor was also *** results indicate the potential of PyHP as an effective tool in the early clinical diagnosis of cancers.

关键词： Meso-pyridylhydrazone-functionalized pyronine Meso-substituents Tumor-to-normal(T/N)ratios Fluorescent probes Hypochlorous acid

Regression Method for Rail Fastener Tightness Based on Center-Line Projection Distance Feature and Neural Network

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Chinese Journal of Mechanical Engineering 2024年第2期37卷 356-371页

作者： Yuanhang Wang Duxin liu Sheng Guo Yifan Wu jing liu wei Li Hongjie Wang Robotics Research Center School of MechanicalElectronic and Control EngineeringBeijing Jiaotong UniversityBeijing 100044China China Construction Industrial&Energy Engineering Group Co. Ltd.Nanjing 210023China

In the railway system,fasteners have the functions of damping,maintaining the track distance,and adjusting the track ***,routine maintenance and inspection of fasteners are important to ensure the safe operation of track ***,assessment methods for fastener tightness include manual observation,acoustic wave detection,and image *** are limitations such as low accuracy and efficiency,easy interference and misjudgment,and a lack of accurate,stable,and fast detection *** at the small deformation characteristics and large elastic change of fasteners from full loosening to full tightening,this study proposes high-precision surface-structured light technology for fastener detection and fastener deformation feature extraction based on the center-line projection distance and a fastener tightness regression method based on neural ***,the method uses a 3D camera to obtain a fastener point cloud and then segments the elastic rod area based on the iterative closest point algorithm *** component analysis is used to calculate the normal vector of the segmented elastic rod surface and extract the point on the centerline of the elastic *** point is projected onto the upper surface of the bolt to calculate the projection ***,the mapping relationship between the projection distance sequence and fastener tightness is established,and the influence of each parameter on the fastener tightness prediction is ***,by setting up a fastener detection scene in the track experimental base,collecting data,and completing the algorithm verification,the results showed that the deviation between the fastener tightness regression value obtained after the algorithm processing and the actual measured value RMSE was 0.2196 mm,which significantly improved the effect compared with other tightness detection methods,and realized an effective fastener tightness regression.

关键词： Railway system Fasteners Tightness inspection Neural network regression 3D point cloud processing

HEN:a novel hybrid explainable neural network based framework for robust network intrusion detection

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Science China(Information Sciences) 2024年第7期67卷 72-90页

作者： wei wei Sijin CHEN Cen CHEN Heshi WANG jing liu Zhongyao CHENG Xiaofeng ZOU School of Computer Science and Engineering Xi'an University of TechnologyShaanxi Key Laboratory for Network Computing and Security Technology School of Computer Science and Technology Wuhan University of Science and Technology School of Future Technology South China University of Technology Shenzhen Research Institute of Hunan University School of Computer Science Hunan University of Technology and Business Institute for Infocomm Research (I2R) Agency for Science Technology and Reseach (A*STAR)

With the rapid development of network technology and the automation process for 5G, cyberattacks have become increasingly complex and threatening. In response to these threats, researchers have developed various network intrusion detection systems(NIDS) to monitor network traffic. However, the incessant emergence of new attack techniques and the lack of system interpretability pose challenges to improving the detection performance of NIDS. To address these issues, this paper proposes a hybrid explainable neural network-based framework that improves both the interpretability of our model and the performance in detecting new attacks through the innovative application of the explainable artificial intelligence(XAI)method. We effectively introduce the Shapley additive explanations(SHAP) method to explain a light gradient boosting machine(Light GBM) model. Additionally, we propose an autoencoder long-term short-term memory(AE-LSTM) network to reconstruct SHAP values previously generated. Furthermore, we define a threshold based on reconstruction errors observed during the training phase. Any network flow that surpasses the specified threshold is classified as an attack flow. This approach enhances the framework's ability to accurately identify attacks. We achieve an accuracy of 92.65%, a recall of 95.26%, a precision of 92.57%,and an F1-score of 93.90% on the dataset NSL-KDD. Experimental results demonstrate that our approach generates detection performance on par with state-of-the-art methods.

关键词： explainable artificial intelligence light gradient boosting machine machine learning network intrusion detection Shapley additive explanation hybrid explainable neural network (HEN)

Cellular strategies to induce immune tolerance after liver transplantation:Clinical perspectives

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World Journal of Gastroenterology 2024年第13期30卷 1791-1800页

作者： Ai-wei Zhou jing Jin Yuan liu Department of Liver Surgery Renji Hospital Affiliated to Shanghai Jiao Tong University School of MedicineShanghai 200127China Department of Nursing Renji Hospital Affiliated to Shanghai Jiao Tong University School of MedicineShanghai 200127China Department of Liver Transplantation Shanghai Immune Therapy InstituteShanghai 200127China

Liver transplantation(LT)has become the most efficient treatment for pediatric and adult end-stage liver disease and the survival time after transplantation is becoming longer due to the development of surgical techniques and perioperative ***,long-term side-effects of immunosuppressants,like infection,metabolic disorders and malignant tumor are gaining more *** tolerance is the status in which LT recipients no longer need to take any immunosuppressants,but the liver function and intrahepatic histology maintain *** approaches to achieve immune tolerance after transplantation include spontaneous,operational and induced *** first two means require no specific intervention but withdrawing immunosuppressant gradually during *** clinical factors or biomarkers so far could accurately predict who are suitable for immunosuppressant withdraw after *** the understanding to the underlying mechanisms of immune tolerance,many strategies have been developed to induce tolerance in LT *** strategy is one of the most promising methods for immune tolerance induction,including chimerism induced by hematopoietic stem cells and adoptive transfer of regulatory immune *** safety and efficacy of various cell products have been evaluated by prospective preclinical and clinical trials,while obstacles still exist before translating into clinical ***,we will summarize the latest perspectives and concerns on the clinical application of cellular strategies in LT recipients.

关键词： Cellular therapy Induced tolerance Liver transplantation Regulatory T cells Regulatory dendritic cells

Carbon cathode with heteroatom doping and ultrahigh surface area enabling enhanced capacitive behavior for potassium-ion hybrid capacitors

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Rare Metals 2024年第5期43卷 2136-2149页

作者： Yan Xiong Ya-Fei Zhang Chun-liu Zhu Lei Yang Huan-Yu Liang jing Shi jing-wei Chen wei-QianTian Shuai liu Zhi Li jing-Yi Wu Huan-Lei Wang School of Materials Science and Engineering Ocean University of ChinaQingdao 266100China Department of Chemical and Materials Engineering University of AlbertaEdmontonAB T6G 2V4Canada

Potassium-ion hybrid capacitors(PIHCs)are widely regarded as highly promising energy storage devices,due to their exceptional energy density,impressive power density,and abundant potassium ***,restricted by the inherent capacitive storage mechanism,the carbon cathodes possess a much lower specific capacity than battery-type ***,designing high-performance carbon cathodes is extremely urgent for the development of ***,N,O codoped porous carbon(NOPC)was fabricated through the NaCl hard template method and combined KOH/melamine chemical activation technique,displaying the characteristics of abundant N/O content(4.7 at%/16.9 at%),ultrahigh specific surface area(3092 m^(2)g^(-1))and hierarchical pore *** designed NOPC cathode delivers a high specific capacity(164.4 mAh.g^(-1)at 0.05 A.g^(-1))and superior cyclability(95.1%retention ratio at 2 A·g^(-1)over 2500 cycles).Notably,the adjustable ratio of micropores to mesopores facilitates the achievement of the optimal bal-ance between capacity and rate ***,the pseudocapacitance can be further augmented through the incorporation of N/O functional *** expected,the graphite//NOPC based PIHC possesses a high energy density of 113 Wh·kg-at 747 W·kg^(-1)and excellent capacity retention of 84.4% fter 400 cycles at 1.0 A·g^(-1).This work introduces a novel strategy for designing carbon cathodes that enhances the electrochemical performance of PIHCs.

关键词： Template method N/O co-doping High specific surface area Carbon cathode Potassium-ion capacitors

Spatiotemporal variations in ecosystem services and their trade-offs and synergies against the background of the gully control and land consolidation project on the Loess Plateau,China

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Journal of Arid Land 2024年第1期16卷 131-145页

作者： WANG jing wei Yulu PENG Biao liu Siqi LI Jianfeng Key Laboratory of Degraded and Unused Land Consolidation Engineering Ministry of Natural and ResourcesXi'an 710075China Institute of Land Engineering and Technology Shaanxi Provincial Land Engineering Construction Group Co.Ltd.Xi'an 710021China School of Human Settlements and Civil Engineering Xi'an Jiaotong UniversityXi'an 710049China Shaanxi Key Laboratory of Land Consolidation Xi'an 710064China

Studying the spatiotemporal variations in ecosystem services and their interrelationships on the Loess Plateau against the background of the gully control and land consolidation(GCLC)project has significant implications for ecological protection and quality development of the Yellow River ***,in this study,we took Yan'an City,Shaanxi Province of China,as the study area,selected four typical ecosystem services,including soil conservation service,water yield service,carbon storage service,and habitat quality service,and quantitatively evaluated the spatiotemporal variation characteristics and trade-offs and synergies of ecosystem services from 2010 to 2018 using the Integrated Valuation of Ecosystem Services and Trade-offs(InVEST)*** also analysed the relationship between the GCLC project and regional ecosystem service changes in various regions(including 1 city,2 districts,and 10 counties)of Yan'an City and proposed a coordinated development strategy between the GCLC project and the ecological *** results showed that,from 2010 to 2018,soil conservation service decreased by 7.76%,while the other three ecosystem services changed relatively little,with water yield service increasing by 0.56% and carbon storage service and habitat quality service decreasing by 0.16% and 0.14%,*** ecological environment of Yan'an City developed in a balanced way between 2010 and 2018,and the four ecosystem services showed synergistic relationships,among which the synergistic relationships between soil conservation service and water yield service and between carbon storage service and habitat quality service were *** GCLC project had a negative impact on the ecosystem services of Yan'an City,and the impact on carbon storage service was more *** study provides a theoretical basis for the scientific evaluation of the ecological benefits of the GCLC project and the realization of a win-win situation between food security and e

关键词： ecosystem services trade-offs and synergies gully control and land consolidation habitat quality Integrated Valuation of Ecosystem Services and Trade-offs(InVEST)model Loess Plateau

Mesoporous polymers:soft-template self-assembly synthesis and applications

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Science China Chemistry 2024年第5期67卷 1442-1464页

作者： Facai wei Tingting Zhang Jianwei Fu Chengbin jing Jiangong Cheng Shaohua liu State Key Laboratory of Precision Spectroscopy Engineering Research Center of Nanophotonics&Advanced Instrument(Ministry of Education)School of Physics and Electronic ScienceEast China Normal UniversityShanghai 200241China School of Materials Science and Engineering Zhengzhou UniversityZhengzhou 450052China State Key Lab of Transducer Technology Shanghai Institute of Microsystem and Information TechnologyChinese Academy of SciencesShanghai 200050China

Mesoporous polymers combine the advantages of polymer materials(abundant polar functional groups,lightweight,flexibility,and processability)and mesoporous structures(high specific surface area,adjustable pore structure,and large pore volume);hence,they have great application potential in sensing,adsorption,catalysis,energy storage,biomedicine,***,developing advanced synthetic strategies for mesoporous polymers and investigating their intrinsic applications have become hot research ***-template-based self-assembly is regarded as a promising approach for synthesizing mesoporous *** work reviews recent progress in the synthetic strategy for producing various mesoporous polymers using soft-template selfassembly,focusing on the synthesis of conductive polymers,phenol-based polymers,and resin-based polymers and their potential ***,perspectives on future applications of mesoporous polymers,along with a few challenges that need to be resolved,are also discussed in this review.

关键词： mesoporous polymer porous material self-assembly soft templates interface synthesis