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POM analysis and computational interactions of 8-hydroxydiospyrin inside active site of protein tyrosine phosphatase 1B

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BIOCELL 2021年第3期45卷 751-759页

作者： SAUD BAWAZER ASGHAR KHAN ABDUR RAUF TAIBI B EN HADDA YAHYA SAL-AWTHAN OMAR BAHATTAB UMER RASHID INAMULLAH KHAN MUHAMMAD A SIF NAWAZ MD SAHAB UDDIN OLATUNDE AHMED mohammad a li shariati Department of Pharmaceutical Chemistry Faculty of PharmacyUmm Al-Qura UniversityMakkah21955Saudi Arabia Department of Medicine Khyber Teaching Hospital Peshawar25000Pakistan Department of Chemistry University of SwabiSwabi23430Pakistan LCM Laboratory Mohammed First UniversityFaculty of SciencesOujda60000Morocco Biology Department Faculty of SciencesUniversity of TabukTabuk1144Saudi Arabia Department of Biology Faculty of ScienceIbb UniversityIbbYemen Department of Chemistry COMSATS University IslamabadAbbottabad CampusAbbottabad22060Pakistan Department of Pharmacy University of PeshawarPeshawar25120Pakistan Department of Biotechnology Shaheed Benazir Bhutto UniversitySheringal14400Pakistan Department of Pharmacy Southeast UniversityDhaka1213Bangladesh Pharmakon Neuroscience Research Network Dhaka1207Bangladesh Department of Biochemistry Abubakar Tafawa Balewa UniversityBauchi740272Nigeria Moscow State University of Technologies and Management(The First Cossack University) Moscow119991Russian Federation

Proteintyrosine phosphatase 1B(PTP1B)inhibitionis consideredas a potentialtherapeuticfor the treatmentof cancer,type2 diabetes,*** presentwork,weinvestigatedtheanti-diabeticpotentialof8-hydroxydiospyrin(8-HDN)from *** against the PTP1B *** showed significant inhibitory activity of PTP1B with an IC 50 value of 18.37±0.02μM.A detailed molecular docking study was carried out to analyze the binding orientation,binding energy,and mechanism of inhibition.A comparative investigation of 8-HDN in the catalytic,as well as the allosteric site of PTP1B,was *** energy data showed that compound 8-HDN is more selective for the allosteric site and hence avoids the problems associated with catalytic site *** inhibition mechanism of 8-HDN can be further investigated as an active lead compound against PTP1B by using in vitro and in vivo models.

关键词： Diospyros lotus Roots 8-Hydroxydiospyrin Molecular docking Protein tyrosine phosphatase 1B

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Layered niobium carbide enabling excellent kinetics and cycling stability of li-Mg-B-H hydrogen storage material Layered niobium carbide enabling excellent kinetics

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Rare Metals 2024年第3期43卷 1153-1166页

作者： li-Wen Lu Hui Luo Guang-Xu li Yun li Xin-Hua Wang Cun-Ke Huang Zhi-QiangLan Wen-Zheng Zhou Jin Guo mohammad Ismail Hai-Zhen liu Guangxi Novel Battery Materials Research Center of Engineering Technology Guangxi Colleges and Universities Key Laboratory of Blue Energy and Systems IntegrationSchool of Physical Science and TechnologyGuangxi UniversityNanning530004China State Key Laboratory of Featured Metal Materials and life-Cycle Safety for Composite Structures Nanning530004China School of Mechanical and Electrical Engineering Quzhou College of TechnologyQuzhou324000China Department of Materials Science and Engineering Zhejiang UniversityHangzhou310027China Faculty of Ocean Engineering Technology and Informatics Universiti Malaysia Terengganu21030Kuala NerusTerengganuMalaysia Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) Nankai UniversityTianjin300071China

The li-Mg-B-H composite(2liBH_(4)+MgH_(2))has a high capacity of 11.4 wt%as a hydrogen storage ***,the slow kinetics and poor cycling stability severely restrict its practical *** this work,a layered Nb_(2)C MXene was first synthesized and then introduced to tailor the kinetics and cycling stability of the li-Mg-B-H *** milled 2liH+MgB_(2)composites were initially hydrogenated to obtain the 2liBH_(4)+MgH_(2)*** 2liBH_(4)+MgH_(2)+5wt%Nb_(2)C can release 9.0 wt%H_(2)in 30 min at 400℃,while it is only 2.7 wt%for the undoped 2liBH_(4)+MgH_(2).The dehydrogenation activation energies of MgH_(2)and liBH_(4)are 123 and 154 kJ·mol^(-1)respectively for the 5 wt%Nb_(2)C-doped composite,lower than the undoped composite(164 and 165 kJ·mol^(-1)).The 2liBH_(4)+MgH_(2)+5 wt%Nb_(2)C possesses excellent cycling stability,with the reversible capacity only slightly reduced from 9.4 wt%for the 1st cycle to 9.3 wt%for the 20th ***_(2)C keeps stable in the composite and acts as an efficient catalyst for the li-Mg-B-H *** is believed that both the layered structure and the active Nb element contribu te to the enhanced hydrogen storage performances of the li-Mg-B-H *** work confirms that the Nb_(2)C MXene with layered stru cture has a significant enhancing impact on the li-Mg-B-H hydrogen storage materials,which is different from the bulk NbC.

关键词： Hydrogen storage lithium borohydride Magnesium hydride Nb_(2)C MXene

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Longitudinal vibration characteristics of a tapered pipe pile considering the vertical support of surrounding soil and construction disturbance

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Earthquake Engineering and Engineering Vibration 2024年第1期23卷 51-63页

作者： li Zhenya Pan Yunchao He Xianbin Lv Chong mohammad Towhid Key Laboratory of Ministry of Education for Geomechanics and Embankment Engineering Hohai UniversityNanjing 210098China Geotechnical Research Institute Hohai UniversityNanjing 210098China MOE Key Laboratory of Soft Soils and Geoenvironmental Engineering Zhejiang UniversityHangzhou 310058China

This research is concentrated on the longitudinal vibration of a tapered pipe pile considering the vertical support of the surrounding soil and construction ***,the pile-soil system is partitioned into finite segments in the vertical direction and the Voigt model is applied to simulate the vertical support of the surrounding soil acting on the pile *** surrounding soil is divided into finite ring-shaped zones in the radial direction to consider the construction ***,the shear complex stiffness at the pile-soil interface is derived by solving the dynamic equilibrium equation for the soil from the outermost to innermost *** displacement impedance at the top of an arbitrary pile segment is obtained by solving the dynamic equilibrium equation for the pile and is combined with the vertical support of the surrounding soil to derive the displacement impedance at the bottom of the upper adjacent ***,the displacement impedance at the pile head is obtained based on the impedance function transfer ***,the reliability of the proposed solution is verified,followed by a sensitivity analysis concerning the coupling effect of the pile parameters,construction disturbance and the vertical support of the surrounding soil on the displacement impedance of the pile.

关键词： tapered pipe pile longitudinal vibration vertical support of the surrounding soil construction disturbance displacement impedance

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Effects of grain's shape-and size-polydispersities,orientation,and area fraction on tortuosity and permeability of 2D granular media

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Particuology 2024年第7期90卷 535-557页

作者： Ke Cao Huisu Chen mohammad Iqbal Khan Mingqi li lin liu Jiangsu Key Laboratory of Construction Materials School of Materials Science and EngineeringSoutheast UniversityNanjing 211189China Department of Civil Engineering College of EngineeringKing Saud UniversityP.O.Box 800Riyadh 11421Saudi Arabia School of Civil and Transportation Engineering Hebei University of TechnologyTianjin 300401China College of Civil and Transportation Engineering Hohai UniversityNanjing210098China

The microstructure of granular media, including grain's shape- and size-polydispersities, orientation, and area fraction can potentially affect its permeability. However, few studies consider the coupling effects of these features. This work employs geometrical probability and stereology to establish quantitative relationships between the above microstructural features and the geometric tortuosity of the two-dimensional granular media containing superellipse, superoval, and polygon grains. Then the lattice Boltzmann method (LBM) is used to determine the permeabilities of these granular media. By combining the tortuosity model and the LBM-derived permeabilities, modified K–C equations are formulated to predict the permeability and the shape factor, considering the grain's shape- and size-polydispersities, orientation, and area fraction. The reliability of these methods can be verified by comparing them with both our simulations and available experimental, theoretical, and numerical data reported in the literature. The findings implicate that the tortuosity and permeability of the granular media are strongly correlated with the grain's shape, orientation, and area fraction but unaffected by the size polydispersity and spatial arrangement of grains. Only circularity is not enough to derive a unified formula for considering the impact of grain shape on tortuosity and permeability, other shape parameters need to be explored in the future.

关键词： Geometric tortuosity Konzey-Carman equation Shape and size ploydispersities Grain orientation Lattice Boltzmann method Granular media

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Opportunities and Challenges in Advancing Plant Research with Single-cell Omics

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Genomics, Proteomics & Bioinformatics 2024年第2期22卷 13-26页

作者： mohammad Saidur Rhaman Muhammad Ali Wenxiu Ye Bosheng li Peking University Institute of Advanced Agricultural Sciences Shandong Laboratory of Advanced Agricultural Sciences in WeifangWeifang 261325China

Plants possess diverse cell types and intricate regulatory mechanisms to adapt to the ever-changing environment of *** strategies have been employed to study cell types and their developmental progressions,including single-cell sequencing methods which provide high-dimensional catalogs to address biological *** recent years,single-cell sequencing technologies in transcriptomics,epigenomics,proteomics,metabolomics,and spatial transcriptomics have been increasingly used in plant science to reveal intricate biological relationships at the single-cell ***,the application of single-cell technologies to plants is more limited due to the challenges posed by cell *** review outlines the advancements in single-cell omics technologies,their implications in plant systems,future research applications,and the challenges of single-cell omics in plant systems.

关键词： Multi-omics Single-cell transcriptomics Spatial transcriptomics Single-cell epigenomics Single-cell proteomics

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Two-dimensional MOF-based materials:Preparations and applications as electrodes in li-ion batteries

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Journal of Energy Chemistry 2024年第10期97卷 388-418,I0008页

作者： Narges Nobakht Seyyed Ahmad Etghani mohammad Hosseini Seyed Hamed Aboutalebi Condensed Matter National Laboratory Institute for Research in Fundamental SciencesTehran 19395-5531Iran School of Biological Sciences Institute for Research in Fundamental SciencesTehran 19395-5746Iran BattScout Company London RoadBishopdownSalisbury SP13EnglandUnited Kingdom

Two-dimensional(2D)metal-organic frameworks(MOFs)are rapidly emerging as a unique class of mushrooming family of 2D materials offering distinctive features,such as hierarchical porosity,extensive surface area,easily available active sites,and versatile,adaptable *** promising characteristics have positioned them as highly appealing alternatives for a wide range of applications in energy storage technologies,including lithium ***,the poor conductivity and limited stability of 2D MOFs have limited their real applications in electrochemical energy *** limitations have therefore warranted ongoing research to enhance the performance of 2D *** the significance of 2D MOF-based materials as an emerging class of advanced materials,a multitude of strategy has been devised to address these challenges such as synthesizing 2D conductive MOFs and derivatives along with 2D MOF *** promising approach involves the use of 2D MOF derivatives,including transition metal oxides,which due to their abundant unsatu rated active metal sites and shorter diffusion paths,offer superior electrochemical ***,by combining pristine 2D MOFs with other materials,hybrid 2D MOF materials can be *** hybrids,with their enhanced stability and conductivity,can be directly utilized as active materials in lithium *** the present review,we categorize 2D MOF-based materials into three distinct groups:pristine 2D MOFs,2D MOFderived materials,and 2D MOF hybrid *** synthesis methods for each group,along with their specific applications as electrode materials in lithium-ion batteries,are discussed in *** comprehensive review provides insights into the potential of 2D MOFs while highlighting the opportunities and challenges that are present in this evolving field.

关键词： li-ion batteries 2D materials 2D metal-organic frameworks Energy storage Synthesis

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Preface for Feature Topic on Human Driver Behaviours for Intelligent Vehicles

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Automotive Innovation 2024年第1期7卷 1-3页

作者： Dongpu Cao Argyrios Zolotas Meng Wang mohammad Pirani Wenbo li School of Vehicle and Mobility Tsinghua University30 Shuangqing Rd.Beijing 100084China School of Aerospace Cranfield UniversityCranfieldUK Friedrich list Faculty of Transport and Traffic Sciences Technische Universität DresdenDresdenGermany Department of Mechanical and Mechatronics Engineering University of WaterlooWaterlooCanada

1 Introduction With the advancement of sensing,machine learning,and computing systems,automated driving applications have been growing rapidly *** with the devel-opment of communication technologies such as dedicated short-range communication,extensively emerging intelli-gent vehicles have been developed to connect with vehicles,pedestrians,infrastructures,and clouds in the transportation ***,intelligent vehicles have become intelligent mobile terminal that carries rich functions and services.

关键词： Driver Together driving

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Additives strategies to improving cycling stability of li metal batteries by modifying electrode electrolyte interphases

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Progress in Natural Science:Materials International 2024年第2期34卷 338-344页

作者： Yuan li Pengfei Huang Chunyu Cui Xiaoyuan Ma li Chen Zekun li linhai li Yuhong Tian School of Biological and Chemical Engineering Guangxi University of Science and Technology School of College of Chemistry and Chemical Engineering Hunan University Isky Future Energy Institute

li metal batteries（LMBs） have attracted much attention due to the ultra-high theoretical capacity of the li metal anode（LMA）.However,the uncontrollable dendrites growth and low coulombic efficiency hinder their practical ***,we explore 3,5-difluoropyridine（2F-BD） as a novel electrolyte additive to enable highperformance *** 2F-BD additive participates in and modifies the solvation structure of li ions by reducing the coordinated number of PF6-at the electrode surface,leading to the formation of a liF and li3N-rich solid electrolyte interphase（SEI）.The liF component increases the robustness of SEI and suppresses the formation of li dendrites,while the li3N component facilitates the transportation and reaction kinetics of li *** a result,the li‖li symmetric cell presents a stable cycling performance of up to 500 h at a current density of 1 mA *** coupling with liFePO4cathode,the obtained full cell achieves high specific capacities of 106.06 mA h g-1and 84.98 mA h g-1at 2.55 mA cm-2and 5.10 mA cm-2,respectively,and maintains a high capacity retention of84.0% after 1000 cycles at 0.13 mA cm-2,with an average cycling CE of 99.58%.

关键词： li metal batteries li dendrites Electrolyte additive

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Leaching kinetics of fluorine during the aluminum removal from spent li-ion battery cathode materials

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Journal of Environmental Sciences 2024年第4期138卷 312-325页

作者： Shengjie li Jianxin Zhu Research Center for Eco-Environmental Sciences Chinese Academy of SciencesBeijing 100085China University of Chinese Academy of Sciences Beijing 100049China

The high content of aluminum(Al)impurity in the recycled cathode powder seriously affects the extraction efficiency of Nickel,Cobalt,Manganese,and lithium resources and the actual commercial value of recycled materials,so Al removal is crucially important to conform to the industrial standard of spent li-ion battery cathode *** this work,we systematically investigated the leaching process and optimum conditions associated with Al removal from the cathode powder materials collected in a wet cathode-powder peeling and recycling production line of spent li-ion batteries(liBs).Moreover,we specifically studied the leaching of fluorine(F)synergistically happened along with the removal process of Al,which was not concerned about in other studies,but one of the key factors affecting pollution prevention in the recovery *** mechanism of the whole process including the leaching of Al and F from the cathode powder was indicated by using NMR,FTIR,and XPS,and a defluoridation process was preliminarily investigated in this *** leaching kinetics of Al could be successfully described by the shrinking core model,controlled by the diffusion process and the activation energy was 11.14 kJ/***,the leaching of F was attributed to the dissolution of liPF6and decomposition of PVDF,and the kinetics associated was described by Avrami *** interaction of Al and F is advantageous to realize the defluoridation to some *** is expected that our investigation will provide theoretical support for the large-scale recycling of spent liBs.

关键词： Al removal F leaching Cathode powder Heating alkali leaching Leaching kinetics

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Ultrahigh thermoelectric properties of p‐type Bi_(x)Sb_(2−x)Te_(3)thin films with exceptional flexibility for wearable energy harvesting

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Carbon Energy 2024年第8期6卷 273-284页

作者： Zhuang‐Hao Zheng Yi‐Ming Zhong Yi‐liu li mohammad Nisar Adil Mansoor Fu li Shuo Chen Guang‐Xing liang Ping Fan Dongyan Xu Meng Wei Yue‐Xing Chen Shenzhen Key Laboratory of Advanced Thin Films and Applications Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong ProvinceCollege of Physics and Optoelectronic EngineeringShenzhen UniversityShenzhenChina Department of Mechanical and Automation Engineering The Chinese University of Hong KongSha TinChina

Use of a flexible thermoelectric source is a feasible approach to realizing selfpowered wearable electronics and the Internet of *** thin films are promising candidates for fabricating flexible power supply,but obtaining highthermoelectric‐performance thin films remains a big *** the present work,a p‐type Bi_(x)Sb_(2−x)Te_(3)thin film is designed with a high figure of merit of 1.11 at 393 K and exceptional flexibility(less than 5%increase in resistance after 1000 cycles of bending at a radius of∼5 mm).The favorable comprehensive performance of the Bi_(x)Sb_(2−x)Te_(3)flexible thin film is due to its excellent crystallinity,optimized carrier concentration,and low elastic modulus,which have been verified by experiments and theoretical ***,a flexible device is fabricated using the prepared p‐type Bi_(x)Sb_(2−x)Te_(3)and n‐type Ag_(2)Se thin ***,an outstanding power density of∼1028μWcm^(−2)is achieved at a temperature difference of 25 *** work extends a novel concept to the fabrication of highperformance flexible thin films and devices for wearable energy harvesting.

关键词： Bi_(x)Sb_(2−x)Te_(3) electrical transport properties flexibility thermoelectric

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