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World Journal of Psychiatry 2024年第1期14卷 148-158页

作者： Qun Zhao Xing Wang Shu-Fan Li Peng Wang Xiang Wang Xin Xin Suo-Wang Yin Zhao-Song Yin Li-Juan Mao School of physical Education Shanghai University of SportShanghai 200438China department of physical Education Donghua UniversityShanghai 201620China

BACKGROUND The detection rate of depression among university students has been increasing in recent years,becoming one of the main psychological diseases that endangers their physical and mental *** to statistics,self-harm and suicide,for which there is no effective intervention,are the second leading causes of *** To explore the relationship between different elements and levels of physical activity and college students’depression-symptom-specific working memory *** Of 143 college students were analyzed using the Beck Depression Self-Rating Scale,the physical Activity Rating Scale,and the Working Memory *** There was a significant difference between college students with depressive symptoms and healthy college students in completing verbal and spatial working memory(SWM)tasks correctly(all Pphysical Activity Scale-3 scores were significantly and positively correlated with the correct rate of the verbal working memory task(r=0.166)and the correct rate of the SWM task(r=0.210)(all P0.05).CONCLUSION An increase in physical exercise among college students,particularly medium-and high-intensity exercise and exercise of 30 min or more,can improve the correct rate of completing working memory tasks.

关键词： physical activity Depression symptoms University students Working memory

Synthesis of hierarchically porous carbon materials by zinc salts-assisted carbonization of biomass and organic solid wastes

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Particuology 2024年第1期84卷 45-52页

作者： Le-Le Zhang Lei Tong Yanwei Ding Wanqun Zhang Hai-Wei Liang Hefei National Research Center for physical Sciences at the Microscale Department of ChemistryUniversity of Science and Technology of ChinaHefei230026China

Hierarchically porous carbons(HPCs)with multimodal pores have attracted considerable attention due to their unique physical and chemical properties and various application potentials in heterogeneous catalysis,environmental treatment,and energy storage and ***,we report a general and simple zinc salts-assisted method for the synthesis of HPCs with varied porosity and chemical func-tionalities by the direct carbonization of diverse biomass and *** the carbonization,zinc salts are thermally decomposed into nanoparticles that serve as in-situ templates to introduce nanopores in *** prepared HPCs exhibit high specific surface areas(up to 2432 m2 g-1),large pore volumes(up to 4.30 cm^(3)g^(-1)),and broad pore size ***,the zinc salts can be recovered and recycled,supporting the sustainable production of HPCs on large *** prepared HPCs-supported catalysts with atomically dispersed metal sites exhibit promising electrocatalytic performance for the oxygen reduction reaction.

关键词： Hierarchical porous carbon Zinc salts Biomass Wastes Electrocatalysis

Universal Machine Learning Kohn–Sham Hamiltonian for Materials

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Chinese Physics Letters 2024年第7期41卷 95-110页

作者：钟阳于宏宇杨吉辉郭星宇向红军龚新高 Key Laboratory of Computational physical Sciences(Ministry of Education) Institute of Computational Physical SciencesState Key Laboratory of Surface Physicsand Department of PhysicsFudan UniversityShanghai 200433China Shanghai Qi Zhi Institute Shanghai 200030China

While density functional theory(DFT)serves as a prevalent computational approach in electronic structure calculations,its computational demands and scalability limitations ***,leveraging neural networks to parameterize the Kohn-Sham DFT Hamiltonian has emerged as a promising avenue for accelerating electronic structure *** advancements,challenges such as the necessity for computing extensive DFT training data to explore each new system and the complexity of establishing accurate machine learning models for multi-elemental materials still *** these hurdles,this study introduces a universal electronic Hamiltonian model trained on Hamiltonian matrices obtained from first-principles DFT calculations of nearly all crystal structures on the Materials *** demonstrate its generality in predicting electronic structures across the whole periodic table,including complex multi-elemental systems,solid-state electrolytes,Moir´e twisted bilayer heterostructure,and metal-organic ***,we utilize the universal model to conduct high-throughput calculations of electronic structures for crystals in GNoME datasets,identifying 3940 crystals with direct band gaps and 5109 crystals with flat *** offering a reliable efficient framework for computing electronic properties,this universal Hamiltonian model lays the groundwork for advancements in diverse fields,such as easily providing a huge data set of electronic structures and also making the materials design across the whole periodic table possible.

关键词： Hamiltonian utilize twisted

Holevo bound independent of weight matrices for estimating two parameters of a qubit

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Chinese Physics B 2024年第2期33卷 137-143页

作者：牛畅郁司夏 department of Modern Physics&Hefei National Research Center for physical Sciences at the Microscale and School of physical Sciences University of Science and Technology of ChinaHefei 230026China Hefei National Laboratory University of Science and Technology of ChinaHefei 230088China

Holevo bound plays an important role in quantum metrology as it sets the ultimate limit for multi-parameter estimations,which can be asymptotically *** for some trivial cases,the Holevo bound is implicitly defined and formulated with the help of weight *** we report the first instance of an intrinsic Holevo bound,namely,without any reference to weight matrices,in a nontrivial ***,we prove that the Holevo bound for estimating two parameters of a qubit is equivalent to the joint constraint imposed by two quantum Cramér–Rao bounds corresponding to symmetric and right logarithmic *** weightless form of Holevo bound enables us to determine the precise range of independent entries of the mean-square error matrix,i.e.,two variances and one covariance that quantify the precisions of the estimation,as illustrated by different estimation *** result sheds some new light on the relations between the Holevo bound and quantum Cramer–Rao *** generalizations are discussed.

关键词： quantum metrology quantum Fisher information Holevo bound quantum multi-parameter estimation

Absolute partial and total ionization cross sections of carbon monoxide with electron collision from 350 eV to 8000 eV

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Chinese Physics B 2024年第4期33卷 459-464页

作者： Taj Wali Khan 黄伟哲王恩亮单旭陈向军 Hefei National Research Center of physical Sciences at the Microscale and department of Modern Physics University of Science and Technology of ChinaHefei 230026China

The absolute partial and total cross sections for electron impact ionization of carbon monoxide are reported for electron energies from 350 eV to 8000 *** product ions(CO^(+),C^(+),O^(+),CO^(2+),C^(2+),and O^(2+))are measured by employing an ion imaging mass spectrometer and two ion-pair dissociation channels(C^(+)+O^(+)and C^(2+)+O^(+))are *** absolute cross sections for producing individual ions and their total,as well as for the ion-pair dissociation channels are obtained by normalizing the data of CO^(+)to that of Ar^(+)from CO-Ar mixture target with a fixed 1:1 *** overall errors are evaluated by considering various kinds of uncertainties.A comprehensive comparison is made with the available data,which shows a good agreement with each other over the energy ranges that are *** work presents new cross-section data with electron energies above 1000 eV.

关键词： electron impact ionization cross sections carbon monoxide ion imaging mass spectrometer

Recent advances in protein conformation sampling by combining machine learning with molecular simulation

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Chinese Physics B 2024年第3期33卷 80-87页

作者：唐一鸣杨中元姚逸飞周运谈圆王子超潘瞳熊瑞孙俊力韦广红 department of Physics State Key Laboratory of Surface Physicsand Key Laboratory for Computational Physical Sciences (Ministry of Education)Shanghai 200438China

The rapid advancement and broad application of machine learning(ML)have driven a groundbreaking revolution in computational *** of the most cutting-edge and important applications of ML is its integration with molecular simulations to improve the sampling efficiency of the vast conformational space of large *** review focuses on recent studies that utilize ML-based techniques in the exploration of protein conformational *** first highlight the recent development of ML-aided enhanced sampling methods,including heuristic algorithms and neural networks that are designed to refine the selection of reaction coordinates for the construction of bias potential,or facilitate the exploration of the unsampled region of the energy ***,we review the development of autoencoder based methods that combine molecular simulations and deep learning to expand the search for protein ***,we discuss the cutting-edge methodologies for the one-shot generation of protein conformations with precise Boltzmann ***,this review demonstrates the promising potential of machine learning in revolutionizing our insight into the complex conformational ensembles of proteins.

关键词： machine learning molecular simulation protein conformational space enhanced sampling

“Buckets effect”in the kinetics of electrocatalytic reactions

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Journal of Energy Chemistry 2024年第2期89卷 388-396,I0010页

作者： Haowen Cui Yan-Xia Chen Hefei National Laboratory for physical Sciences at Microscale Department of Chemical PhysicsUniversity of Science and Technology of ChinaHefei 230026AnhuiChina

In this study,we systematically investigated the effect of proton concentration on the kinetics of the oxygen reduction reaction(ORR)on Pt(111)in acidic *** results demonstrate a rectangular hyperbolic relationship,i.e.,the ORR current excluding the effect of other variables increases with proton concentration and then tends to a constant *** consider that this is caused by the limitation of ORR kinetics by the trace oxygen concentration in the solution,which determines the upper limit of ORR kinetics.A model of effective concentration is further proposed for rectangular hyperbolic relationships:when the reactant concentration is high enough to reach a critical saturation concentration,the effective reactant concentration will become a constant *** could be due to the limited concentration of a certain reactant for reactions involving more than one reactant or the limited number of active sites available on the *** study provides new insights into the kinetics of electrocatalytic reactions,and it is important for the proper evaluation of catalyst activity and the study of structureperformance relationships.

关键词： Oxygen reduction reaction Kinetics Zero order Rectangular hyperbolic relationship pH effect

Confluence of asymmetric catalysis and electrosynthesis in sustainable chemical transformations

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Science China Chemistry 2024年第3期67卷 755-758页

作者： Qinglin Zhang Kang Liang Chang Guo Hefei National Research Center for physical Sciences at the Microscale and department of Chemistry University of Science and Technology of ChinaHefei 230026China

Electrosynthesis has gained widespread recognition for its extraordinary ability to precisely control the redox *** outstanding capability enables the direct conversion of non-functionalized substrates into reactive intermediates by utilizing easily accessible starting materials, eliminating the need for preliminary functionalization procedures and allowing for unconventional bond activations.

关键词： Confluence of asymmetric catalysis and electrosynthesis in sustainable chemical transformations

Assessment of sediment connectivity using modelling and field-based approaches in the Slavíč River catchment(MoravskoslezskéBeskydy Mts,Czech Republic)

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Journal of Mountain Science 2024年第3期21卷 734-753页

作者： MACUROVÁ Tereza ŠKARPICH Václav department of physical Geography and Geoecology Faculty of ScienceUniversity of OstravaChittussiho 1071000 OstravaCzech Republic

Mountain streams act as conveyors of sediments within the river continuum,where the physical transport of sediments between river reaches through the catchment or between individual parts(e.g.,between hillslopes and channels)of the catchment is *** study focused on sediment connectivity analysis in the SlavíčRiver catchment in the MoravskoslezskéBeskydy Mts in the eastern part of the Czech *** connectivity index and connectivity index target modelling were combined with an analysis of anthropogenic ***,field mapping,grain size of bed sediments and stream power analysis were used to obtain information about connectivity in the *** on the analysis and obtained results,terrain topography is the current main driving factor affecting the connectivity of sediment movement in the SlavíčRiver ***,the modelling provided valuable information about high sediment connectivity despite different recent land use conditions(highly forested area of the catchment)than those in historical times from the 16th to 19th centuries when the SlavíčRiver catchment was highly deforested and sediment connectivity was probably *** analysis of anthropogenic interventions,field mapping,grain size of bed sediments and stream power analysis revealed more deceleration of sediment movement through the catchment,decreased sediment connectivity with bed erosion,and gradual river channel process transformation in some *** mapping has identified various natural formations and human-induced changes impacting the longitudinal and lateral connectivity in the Slavíč*** instance,embankments along 48%of the river's length,both on the right and left banks,significantly hinder lateral sediment supply to the *** power index analysis indicates increased energy levels in the flowing water in the river's upper reaches(up to 404.8 W m^(-2)).This high energy is also observed in certain downstream sections(up to 337.6 W

关键词： Mountain stream Connectivity analysis Modelling Grain size analysis SlavíčRiver MoravskoslezskéBeskydy Mts

What aspects do we overlook in the rehabilitation of patients with inflammatory bowel disease?

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World Journal of Gastroenterology 2024年第27期30卷 3268-3272页

作者： Benil Nesli Ata Sibel Eyigor department of physical Medicine and Rehabilitation Izmir City HospitalIzmir 35530Türkiye department of physical Medicine and Rehabilitation Faculty of MedicineEge UniversityIzmir 35100Türkiye

In this editorial,we comment on the article by Stafie et *** bowel disease(IBD)constitutes a cluster of chronic and progressive inflammatory disorders affecting the digestive *** can impede an individual’s capacity to perform daily activities,hinder work productivity,limit physical capabilities,and negatively impact medical *** physical activity and structured exercise programs are becoming increasingly important in many chronic inflammatory diseases,they are not being sufficiently implemented in IBD *** prevention of future disability and drug dependence in IBD patients requires timely diagnosis and treatment of musculoskeletal problems,including sarcopenia,as well as decreased muscle strength,aerobic capacity,and bone mineral *** improve treatment outcomes for IBD patients,it is crucial to develop individualized rehabilitation programs tailored to their unique *** critical is the active participation of pertinent departments in this *** is imperative to highlight the significance of creating a personalized rehabilitation program with a multidisciplinary approach in IBD management.

关键词： Inflammatory bowel disease physical activity Disability Sarcopenia Structured exercise Rehabilitation