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Journal of Energy Chemistry 2024年第8期95卷 701-711页

作者： yangyang Chen Yu Liao Ying wu Lei Li Zhen Zhang Sha Luo Yiqiang wu yan qing College of Materials Science and Technology Central South University of Forestry and Technology

Lithium-sulfur batteries（LSBs） are considered promising candidates for next-generation battery technologies owing to their outstanding theoretical energy density and cost-effectiveness. However, the low conductivity and polysulfide shuttling effect of S cathodes severely hamper the practical performance of LSBs. Herein, in situ-generated single layer MXene nanosheet/hierarchical porous carbonized wood fiber（MX/PCWF） composites are prepared via a nonhazardous eutectic activation strategy coupled with pyrolysis-induced gas diffusion. The unique architecture, wherein single layer MXene nanosheets are constructed on carbonized wood fiber walls, ensures rapid polysulfide conversion and continuous electron transfer for redox reactions. The C–Ti–C bonds formed between MXene and PCWF can considerably expedite the conversion of polysulfides, effectively suppressing the shuttle effect. An impressive capacity of 1301.1 m A h g-1at 0.5 C accompanied by remarkable stability is attained with the MX/PCWF host, as evidenced by the capacity maintenance of 722.6 m A h g-1after 500 cycles. Notably, the MX/PCWF/S cathode can still deliver a high capacity of 886.8 m A h g-1at a high S loading of 5.6 mg cm-2.The construction of two-dimensional MXenes on natural wood fiber walls offers a competitive edge over S-based cathode materials and demonstrates a novel strategy for developing high-performance batteries.

关键词： C–Ti–C bonds Lithium-sulfur batteries MXene nanosheets S cathodes Wood fiber

Mixed D-vine copula-based conditional quantile model for stochastic monthly streamflow simulation

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Water Science and Engineering 2024年第1期17卷 13-20页

作者： Wen-zhuo Wang Zeng-chuan Dong Tian-yan Zhang Li Ren Lian-qing Xue Teng wu College of Water Resources and Hydrology Hohai UniversityNanjing 210098China Yellow River Research Center Hohai UniversityNanjing 210098China

Copula functions have been widely used in stochastic simulation and prediction of streamflow.However,existing models are usually limited to single two-dimensional or three-dimensional copulas with the same bivariate block for all months.To address this limitation,this study developed a mixed D-vine copula-based conditional quantile model that can capture temporal correlations.This model can generate streamflow by selecting different historical streamflow variables as the conditions for different months and by exploiting the conditional quantile functions of streamflows in different months with mixed D-vine copulas.The up-to-down sequential method,which couples the maximum weight approach with the Akaike information criteria and the maximum likelihood approach,was used to determine the structures of multivariate Dvine copulas.The developed model was used in a case study to synthesize the monthly streamflow at the Tangnaihai hydrological station,the inflow control station of the Longyangxia Reservoir in the Yellow River Basin.The results showed that the developed model outperformed the commonly used bivariate copula model in terms of the performance in simulating the seasonality and interannual variability of streamflow.This model provides useful information for water-related natural hazard risk assessment and integrated water resources management and utilization.

关键词： Stochastic monthly streamflow simulation Mixed D-vine copula Conditional quantile model Up-to-down sequential method Tangnaihai hydrological station

Rational surface charge engineering of haloalkane dehalogenase for boosting the enzymatic performance in organic solvent solutions

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Chinese Journal of Chemical Engineering 2024年第1期65卷 276-285页

作者： Yin wu yan Sun Department of Biochemical Engineering School of Chemical Engineering and Technology and Key Laboratory of Systems Bioengineering and Frontiers Science Center for Synthetic Biology(Ministry of Education)Tianjin UniversityTianjin 300350China

Biocatalysis in organic solvents(OSs)has numerous important applications,but native enzymes in OSs often exhibit limited catalytic performance.Herein,we proposed a computation-aided surface charge engineering strategy to improve the catalytic performance of haloalkane dehalogenase DhaA in OSs based on the energetic analysis of substrate binding to the DhaA surface.Several variants with enhanced OS resistance were obtained by replacing negative charged residues on the surface with positive charged residue(Arg).Particularly,a four-substitution variant E16R/E93R/E121R/E257R exhibited the best catalytic performance(five-fold improvement in OS resistance and seven-fold half-life increase in 40%(vol)dimethylsulfoxide).As a result,the overall catalytic performance of the variant could be at least 26 times higher than the wild-type DhaA.Fluorescence spectroscopy and molecular dynamics simulation studies revealed that the residue substitution mainly enhanced OS resistance from four aspects:(a)improved the overall structural stability,(b)increased the hydrophobicity of the local microenvironment around the catalytic triad,(c)enriched the hydrophobic substrate around the enzyme molecule,and(d)lowered the contact frequency between OS molecules and the catalytic triad.Our findings validate that computationaided surface charge engineering is an effective and ingenious rational strategy for tailoring enzyme performance in OSs.

关键词： Surface charge engineering Organic solvent resistance Molecular dynamics simulation Haloalkane dehalogenase

Alzheimer’s disease early diagnostic and staging biomarkers revealed by large-scale cerebrospinal fluid and serum proteomic profiling

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The Innovation 2024年第1期5卷 118-126页

作者： qing-qing Tao Xue Cai yan-yan Xue Weigang Ge Liang Yue Xiao-yan Li Rong-Rong Lin Guo-Ping Peng Wenhao Jiang Sainan Li Kun-Mu Zheng Bin Jiang Jian-Ping Jia Tiannan Guo Zhi-Ying wu Department of Neurology and Research Center of Neurology in the Second Affiliated Hospital and Key Laboratory of Medical Neurobiology of Zhejiang Province Zhejiang University School of MedicineHangzhou 310009China Liangzhu Laboratory Zhejiang UniversityHangzhou 311100China Westlake Laboratory of Life Sciences and Biomedicine Key Laboratory of Structural Biology of Zhejiang ProvinceSchool of Life SciencesWestlake UniversityHangzhou 310024China Institute of Basic Medical Sciences Westlake Institute for Advanced StudyHangzho 310024China Department of Neurology First Affiliated HospitalZhejiang University School of MedicineHangzhou 310009China Department of Neurology First Affiliated HospitalSchool of MedicineXiamen UniversityXiamen 361009China Innovation Center for Neurological Disorders and Department of Neurology Xuanwu HospitalCapital Medical UniversityNational Clinical Research Center for Geriatric DiseasesBeijing 100053China MOE Frontier Science Center for Brain Science and Brain-machine Integration School of Brain Science and Brain MedicineZhejiang UniversityHangzhou 310058China CAS Center for Excellence in Brain Science and Intelligence Technology Shanghai 200031China

Amyloid-b,tau pathology,and biomarkers of neurodegeneration make up the core diagnostic biomarkers of Alzheimer disease(AD).However,these proteins represent only a fraction of the complex biological processes underlying AD,and individuals with other brain diseases in which AD pathology is a comorbidity also test positive for these diagnostic biomarkers.More ADspecific early diagnostic and disease staging biomarkers are needed.In this study,we performed tandem mass tag proteomic analysis of paired cerebrospinal fluid(CSF)and serum samples in a discovery cohort comprising 98 participants.Candidate biomarkers were validated by parallel reaction monitoring–based targeted proteomic assays in an independent multicenter cohort comprising 288 participants.We quantified 3,238 CSF and 1,702 serum proteins in the discovery cohort,identifying 171 and 860 CSF proteins and 37 and 323 serum proteins as potential early diagnostic and staging biomarkers,respectively.In the validation cohort,58 and 21 CSF proteins,as well as 12 and 18 serum proteins,were verified as early diagnostic and staging biomarkers,respectively.Separate 19-protein CSF and an 8-protein serum biomarker panels were built by machine learning to accurately classify mild cognitive impairment(MCI)due to AD from normal cognition with areas under the curve of 0.984 and 0.881,respectively.The 19-protein CSF biomarker panel also effectively discriminated patients with MCI due to AD from patients with other neurodegenerative diseases.Moreover,we identified 21 CSF and 18 serum stage-associated proteins re-flecting AD stages.Our findings provide a foundation for developing bloodbased tests for AD screening and staging in clinical practice.

关键词： cerebrospinal Alzheimer fluid

Association between the cumulative triglyceride-glucose index and the recurrence of atrial fibrillation after radiofrequency catheter ablation

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Journal of Geriatric Cardiology 2024年第2期21卷 200-210页

作者： qing yan Jia-Qi LIANG Yi-De YUAN Yuan LI Jia-Li FAN Wen-Huan wu Pan XU Jia-Hong XUE Department of Cardiovascular Medicine the Second Affiliated Hospital of Xi’an Jiaotong UniversityShaanxiChina Department of Cardiovascular Medicine Zichang People’s HospitalShaanxiChina Department of Ultrasound Xijing HospitalAir Force Military Medical UniversityShaanxiChina

BACKGROUND Triglyceride-glucose(TyG)index values are a new surrogate marker for insulin resistance.This study aimed to explore the relationship between cumulative TyG index values and atrial fibrillation(AF)recurrence after radiofrequency catheter ablation(RFCA).METHODS A total of 576 patients with AF who underwent RFCA at the Second Affiliated Hospital of Xi'an Jiaotong University were included in this study.The participants were grouped based on cumulative TyG index values tertiles within 3 months after ablation.Cox regression and restricted cubic spline analyses were used to determine the relationship between cumulative TyG index values and AF recurrence.The predictive value of all risk factors was assessed by receiver operating curve analysis.RESULTS There were 375 patients completed the study(age:63.23±10.73 years,64.27%male).The risk of AF recurrence increased with increasing cumulative TyG index values tertiles.After adjusting for potential confounders,patients in the medium cumulative TyG index group[hazard ratio(HR)=4.949,95%CI:1.778–13.778,P=0.002]and the high cumulative TyG index group(HR=8.716,95%CI:3.371–22.536,P<0.001)had a higher risk of AF recurrence than those in the low cumulative TyG index group.The restricted cubic spline regression model also showed an increased risk of AF recurrence with increasing cumulative TyG index values.When considering cumulative TyG index values,left atrial diameter,and lactate dehydrogenase levels as a comprehensive factor,the model could effectively predict AF recurrence after RFCA[area under the curve(AUC)=0.847,95%CI:0.797–0.897,P<0.001].CONCLUSIONS Cumulative TyG index values were a risk factor for AF recurrence after RFCA.Monitoring longitudinal TyG index values may assist with optimized for risk stratification and outcome prediction for AF recurrence.

关键词： atrial fibrillation index

Single thiolate replacement of metal nanoclusters

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Science China Chemistry 2024年第2期67卷 523-528页

作者： Ambreen Ambreen Yue Zhou Wanmiao Gu qing You Liang Fang Guoqing Bian Nan yan Nan Xia Zhikun wu Key Laboratory of Materials Physics Anhui Key Laboratory of Nanomaterials and NanotechnologyInstitute of Solid State PhysicsHefei Institutes of Physical Science(HFIPS)Chinese Academy of SciencesHefei230031China University of Science and Technology of China Hefei230601China Institute of Physical Science and Information Technology Anhui UniversityHefei230601China

Surface thiolates play important roles in evincing the structures and properties of thiolated metal nanoclusters—one type of recently emerging inorganic-organic hybrids,and thus the thiolate substitution,especially single thiolate substitution,is highly desirable for subtly tailoring the structures and properties of metal nanoclusters.However,such a single-thiolate substituting is challenging,and its influence on the metal-metal and metal-sulfur bonds remains mysterious due to the absence of the singlethiolate-substituted structure.Here,we developed a combined method,concurrently synthesized the single-thiolate-substituted nanocluster and its parent nanocluster,and successfully resolved their structures by single crystal X-ray crystallography,which reveals that the single thiolate substitute has an obvious influence on the metal-metal and metal-sulfur bond lengths although it has no effect on the absorption profile.Interestingly,the metal-metal and metal-sulfur bonds show various thermal extensibility and even the negative thermal expansion phenomena of the Au–S bond were observed in the single-thiolate-substituted nanocluster.The bond length-related stability was also observed.Overall,this study highlights a novel synthesis method and offers novel structural insights and an in-depth structure-property correlation of thiolated metal nanoclusters.

关键词： metal nanoclusters single thiolate replacement thermal expansion stability intercluster interaction

Warming intensified the effects of nitrogen addition on N_(2)O emissions from alpine meadow in the northern qinghai-Tibet Plateau

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Advances in Climate Change Research 2024年第1期15卷 101-112页

作者： Ming-Jie LI Yi-qing GE Hasbagan GANJURJAV Guo-Zheng HU Hong-Bao wu Jun yan Shi-Cheng HE qing-Zhu GAO Institute of Environment and Sustainable Development in Agriculture Chinese Academy of Agricultural SciencesBeijing 100081China National Agricultural Experimental Station for Agricultural Environment Nagqu 852100China Ecology and Nature Conservation Institute Chinese Academy of ForestryBeijing 100091China College of Resource and Environment Anhui Science and Technology UniversityFengyang 233100China Nagqu Agriculture Animal Husbandryand Prataculture Science and Technology Research and Extension CenterNagqu 852100China Tongliao Experimental Middle School Tongliao 028000China

Warming and nitrogen(N)addition may impact soil nitrous oxide(N_(2)O)emissions,but the relationship between plant community composition and soil microbial activities remains unclear.For a two-year field study in the qinghai-Tibet Plateau,open-top chambers were used to quantify the effects of warming,N-addition,and their interactions on N_(2)O emissions.We found that the N-addition greatly increased N_(2)O emissions by 77.4%in 2018 when compared to the control group.In contrast,warming showed little effect on N_(2)0 emissions but did increase the activity of enzymes associated with soil nitrification and denitrification.A combined effect of warming and N-addition of resulted in 208.6%(2018)and 90.8%(2019)increase in N_(2)0 emissions,respectively,compared to the individual treatments of warming or N-addition.Global warming in alpine meadows is causally linked to increased legume biomass which is further intensified with the N-addition.Intensified legume biomass(p<0.05),soil moisture(p<0.001)and enzyme activity(p<0.001)had a positive effect on N_(2)0 emissions,while diminished microbial carbon/nitrogen(MBC/MBN)(p<0.05)correlated with reduced N_(2)O emissions.Final results indicated that N-addition has a positive effect on N_(2)O emissions,and the addition of warming further intensifies this effect.The increased dominance of legumes and microbial N content contributes to this effect.These outcomes suggest that warming and atmospheric N deposition can stimulate N_(2)O emissions of alpine meadows inthefuture.

关键词： Alpine meadow Community composition Nitrogen addition Nitrous oxide flux qinghai-Tibet Plateau Warming

Advances of Electrochemical and Electrochemiluminescent Sensors Based on Covalent Organic Frameworks

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Nano-Micro Letters 2024年第2期16卷 395-422页

作者： Yue Cao Ru wu yan‑yan Gao yang Zhou Jun‑Jie Zhu Key Laboratory for Organic Electronics and Information Displays(KLOEID)and Institute of Advanced Materials(IAM) Nanjing University of Posts and Telecommunications(NJUPT)Nanjing 210023People’s Republic of China State Key Laboratory of Analytical Chemistry for Life Science School of Chemistry and Chemical EngineeringNanjing UniversityNanjing 210023People’s Republic of China

Covalent organic frameworks(COFs),a rapidly developing category of crystalline conjugated organic polymers,possess highly ordered structures,large specific surface areas,stable chemical properties,and tunable pore microenvironments.Since the first report of boroxine/boronate ester-linked COFs in 2005,COFs have rapidly gained popularity,showing important application prospects in various fields,such as sensing,catalysis,separation,and energy storage.Among them,COFs-based electrochemical(EC)sensors with upgraded analytical performance are arousing extensive interest.In this review,therefore,we summarize the basic properties and the general synthesis methods of COFs used in the field of electroanalytical chemistry,with special emphasis on their usages in the fabrication of chemical sensors,ions sensors,immunosensors,and aptasensors.Notably,the emerged COFs in the electrochemiluminescence(ECL)realm are thoroughly covered along with their preliminary applications.Additionally,final conclusions on state-of-the-art COFs are provided in terms of EC and ECL sensors,as well as challenges and prospects for extending and improving the research and applications of COFs in electroanalytical chemistry.

关键词： Covalent organic frameworks Electrochemistry Electrochemiluminescence Sensors

Numerical Study on Local Flow and Heat Transfer Characteristics of Supercritical CO_(2) in PCHE with Sinusoidal Channels

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Journal of Thermal Science 2024年第1期33卷 41-55页

作者： WENZhexi LV Yigao LI qing wu Jinglin School of Energy Science and Engineering Central South UniversityChangsha 410083China

Local heat transfer and flow characteristics,which is crucial to the overall performance of supercritical CO_(2) recuperators,is rarely examined in details in reported studies.In this paper,the local heat transfer and flow characteristics of supercritical CO_(2) in sinusoidal channel printed circuit heat exchangers are numerically investigated under the working conditions of recuperators.Based on the simplified physical model constituted by10 pitches,the variations of Re,heat flux,Nu,secondary flow and other relevant parameters along the flow direction are analyzed firstly.Comparison is further made between the high and low temperature recuperators(HTR and LTR).It's observed that the local heat transfer and flow characteristics vary greatly from the inlet to the outlet,especially in the LTR.Differences of 127.5% and 61.7% can be observed on the cold side of the LTR for Re and heat transfer coefficient h, respectively.Results indicate that the temperature difference and heat transfer coefficient h should not be regarded as constant and the distribution of h should be carefully considered in the design of the LTR.The complicated interactions among the varying thermophysical properties,buoyancy and the periodically changed centrifugal force are believed to be the key that shapes the flow fields.Furthermore,the changes of the wavy angle θ are found to have greater influence than the changes of mass flow rate in reshaping the flow field when θ>25°.Though gravity direction strongly affects the local heat transfer and flow characteristics,it's also found that the effects on the overall thermal-hydraulic performance are relatively minor.Yet the installation direction that yields a_y=g should better be avoided for the sinusoidal channel printed circuit heat exchanger.

关键词： printed circuit heat exchanger supercritical CO_(2) sinusoidal channel heat transfer recuperator

HHO optimized support vector machine classifier for traditional Chinese medicine syndrome differentiation of diabetic retinopathy

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International Journal of Ophthalmology(English edition) 2024年第6期17卷 991-1000页

作者： Li Xiao Cheng-wu Wang Ying Deng Yi-Jing yang Jing Lu Jun-Feng yan qing-Hua Peng School of Chinese Medicine Hunan University of Chinese MedicineChangsha 410208Hunan ProvinceChina School of Informatics Hunan University of Chinese MedicineChangsha 410208Hunan ProvinceChina Hunan Provincial Key Laboratory for Prevention and Treatment of Ophthalmology and Otolaryngology Diseases with Chinese Medicine Hunan University of Chinese MedicineChangsha 410208Hunan ProvinceChina Hunan Provincial Engineering and Technological Research Center for Prevention and Treatment of Ophthalmology and Otolaryngology Diseases with Chinese Medicine and Protecting Visual Function Hunan University of Chinese MedicineChangsha 410208Hunan ProvinceChina

AIM:To develop a classifier for traditional Chinese medicine(TCM)syndrome differentiation of diabetic retinopathy(DR),using optimized machine learning algorithms,which can provide the basis for TCM objective and intelligent syndrome differentiation.METHODS:Collated data on real-world DR cases were collected.A variety of machine learning methods were used to construct TCM syndrome classification model,and the best performance was selected as the basic model.Genetic Algorithm(GA)was used for feature selection to obtain the optimal feature combination.Harris Hawk Optimization(HHO)was used for parameter optimization,and a classification model based on feature selection and parameter optimization was constructed.The performance of the model was compared with other optimization algorithms.The models were evaluated with accuracy,precision,recall,and F1 score as indicators.RESULTS:Data on 970 cases that met screening requirements were collected.Support Vector Machine(SVM)was the best basic classification model.The accuracy rate of the model was 82.05%,the precision rate was 82.34%,the recall rate was 81.81%,and the F1 value was 81.76%.After GA screening,the optimal feature combination contained 37 feature values,which was consistent with TCM clinical practice.The model based on optimal combination and SVM(GA_SVM)had an accuracy improvement of 1.92%compared to the basic classifier.SVM model based on HHO and GA optimization(HHO_GA_SVM)had the best performance and convergence speed compared with other optimization algorithms.Compared with the basic classification model,the accuracy was improved by 3.51%.CONCLUSION:HHO and GA optimization can improve the model performance of SVM in TCM syndrome differentiation of DR.It provides a new method and research idea for TCM intelligent assisted syndrome differentiation.

关键词： traditional Chinese medicine diabetic retinopathy Harris Hawk Optimization Support Vector Machine syndrome differentiation