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A novel dual serotonin transporter and M-channel inhibitor D01 for antidepression and cognitive improvement

Acta Pharmaceutica Sinica B 2024年第3期14卷 1457-1466页

作者： Yaqin Wei Xiangqing xu Qiang Guo Song Zhao Yinli Qiu Dongli Wang Wenwen Yu Yani Liu kewei Wang School of Pharmacy Xuzhou Medical UniversityXuzhou 221004China Institute of Pharmaceutical Research Jiangsu Nhwa Pharmaceutical Co.Ltd.&Jiangsu Key Laboratory of Central Nervous System Drug Research and DevelopmentXuzhou 221116China Department of Pharmacology School of PharmacyQingdao University Medical CollegeQingdao 266073China Institute of Innovative Drug Qingdao UniversityQingdao 266021China Center for Brain Science and Brain-Inspired Intelligence Guangdong-Hong Kong-Macao Greater Bay AreaGuangzhou 510515China

Cognitive dysfunction is a core symptom common in psychiatric disorders including depression that is primarily managed by antidepressants lacking efficacy in improving cognition.In this study,we report a novel dual serotonin transporter and voltage-gated potassium Kv7/KCNQ/M-channel inhibitor D01(a 2-methyl-3-aryloxy-3-heteroarylpropylamines derivative)that exhibits both anti-depression effects and improvements in cognition.D01 inhibits serotonin transporters(K_(i)=30.1±6.9 nmol/L)and M channels(IC_(50)=10.1±2.4μmol/L).D01 also reduces the immobility duration in the mouse FST and TST assays in a dose-dependent manner without a stimulatory effect on locomotion.Intragastric administrations of D01(20 and 40 mg/kg)can significantly shorten the immobility time in a mouse model of chronic restraint stress(CRS)-induced depression-like behavior.Additionally,D01 dose-dependently improves the cognitive deficit induced by CRS in Morris water maze test and increases the exploration time with novel objects in normal or scopolamine-induced cognitive deficits in mice,but not fluoxetine.Furthermore,D01 reverses the long-term potentiation(LTP)inhibition induced by scopolamine.Taken together,our findings demonstrate that D01,a dual-target serotonin reuptake and M channel inhibitor,is highly effective in the treatment-resistant depression and cognitive deficits,thus holding potential for development as therapy of depression with cognitive deficits.

关键词： SERT 5-HT Kv7/KCNQ/M current D01 Depression Cognition

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HCRVD: A Vulnerability Detection System Based on CST-PDG Hierarchical Code Representation Learning

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Computers, Materials & Continua 2024年第6期79卷 4573-4601页

作者： Zhihui Song Jinchen xu kewei Li Zheng Shan School of Cyberspace Security Information Engineering UniversityZhengzhou450001China

Prior studies have demonstrated that deep learning-based approaches can enhance the performance of source code vulnerability detection by training neural networks to learn vulnerability patterns in code representations.However,due to limitations in code representation and neural network design,the validity and practicality of the model still need to be improved.Additionally,due to differences in programming languages,most methods lack cross-language detection generality.To address these issues,in this paper,we analyze the shortcomings of previous code representations and neural networks.We propose a novel hierarchical code representation that combines Concrete Syntax Trees(CST)with Program Dependence Graphs(PDG).Furthermore,we introduce a Tree-Graph-Gated-Attention(TGGA)network based on gated recurrent units and attention mechanisms to build a Hierarchical Code Representation learning-based Vulnerability Detection(HCRVD)system.This system enables cross-language vulnerability detection at the function-level.The experiments show that HCRVD surpasses many competitors in vulnerability detection capabilities.It benefits from the hierarchical code representation learning method,and outperforms baseline in cross-language vulnerability detection by 9.772%and 11.819%in the C/C++and Java datasets,respectively.Moreover,HCRVD has certain ability to detect vulnerabilities in unknown programming languages and is useful in real open-source projects.HCRVD shows good validity,generality and practicality.

关键词： Vulnerability detection deep learning CST-PDG code representation tree-graph-gated-attention network cross-language

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NUMERICAL SIMULATION FOR MEASURING YIELD STRENGTH OF THIN METAL FILM BY NANOINDENTATION METHOD

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中国有色金属学会会刊：英文版 1997年第3期7卷 66-69页

作者： Ma, Dejun xu, kewei He, Jiawen Xi'an Jiaotong Univ Xi'an China

ＮＵＭＥＲＩＣＡＬＳＩＭＵＬＡＴＩＯＮＦＯＲＭＥＡＳＵＲＩＮＧＹＩＥＬＤＳＴＲＥＮＧＴＨＯＦＴＨＩＮＭＥＴＡＬＦＩＬＭＢＹＮＡＮＯＩＮＤＥＮＴＡＴＩＯＮＭＥＴＨＯＤ①ＭａＤｅｊｕｎ，ＸｕＫｅｗｅｉ，ＨｅＪｉａｗｅｎＳ... 详细信息

ＮＵＭＥＲＩＣＡＬＳＩＭＵＬＡＴＩＯＮＦＯＲＭＥＡＳＵＲＩＮＧＹＩＥＬＤＳＴＲＥＮＧＴＨＯＦＴＨＩＮＭＥＴＡＬＦＩＬＭＢＹＮＡＮＯＩＮＤＥＮＴＡＴＩＯＮＭＥＴＨＯＤ①ＭａＤｅｊｕｎ，ＸｕＫｅｗｅｉ，ＨｅＪｉａｗｅｎＳｔａｔｅＫｅｙＬａｂｏｒａｔｏｒｙ...

关键词： nanoindentation method thin metal film mechanical properties finite element method

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Structural and electronic properties of atomic oxygen adsorption on Cu(111) surface:A first-principles investigation

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Science China(Physics,Mechanics & Astronomy) 2013年第3期56卷 573-580页

作者： MA LiangCai ZHANG JianMin xu kewei College of Physics and Information Technology Shaanxi Normal University School of Physics and Electrical Information Engineering Ningxia University State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University

By using the first-principles calculations,we have systematically investigated the adsorption of atomic oxygen on Cu(111) surface for a wide range of coverages Θ(from 0.11 to 1.00 ML) and adsorption sites.We found that the fcc-hollow site is the most stable site for oxygen adsorption.The adsorption energy decreases with increasing oxygen coverage due to the increasing repulsive interaction in the overlayer O adatoms.Except for coverage of 1.00 ML,the oxygen-induced lateral relaxations and bucklings are found in the outermost three Cu layers,and the hillock-like as well as ridge-like bucklings are also found for Θ=0.25 ML and Θ=0.75 ML as well as Θ=0.50 ML,respectively.With an increasing oxygen coverage,the work function increases and the surface dipole moment decreases.Electron transfer from the first layer Cu atoms to O adatoms indicates the O-Cu bond having some degree of ionic character,while the hybridization between O 2p and Cu 3d orbitals implies that it also has some degree of covalence character.Moreover,with the increasing oxygen coverage,more Cu 3d and O 2p states are empty thus weakening the binding of O/Cu(111) system,but increase in the PDOS at the Fermi level.This implies an enhancement in the metallic character of the O/Cu(111) system.

关键词： adsorption oxygen relaxation electronic structures first-principles calculation

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The structural,electronic and magnetic properties of the 3d TM(V,Cr,Mn,Fe,Co,Ni and Cu) doped ZnO nanotubes:A first-principles study

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Science China(Physics,Mechanics & Astronomy) 2012年第3期55卷 428-435页

作者： ZHANG JianMin GAO Dan xu kewei College of Physics and Information Technology Shaanxi Normal UniversityXi’an 710062China Department of Physics Xi’an University of Arts and ScienceXi’an 710065China

We have performed the first-principles calculations onto the structural,electronic and magnetic properties of seven 3d transition-metal(TM=V,Cr,Mn,Fe,Co,Ni and Cu) atom substituting cation Zn in both zigzag(10,0) and armchair(6,6) zinc oxide nanotubes(ZnONTs).The results show that there exists a structural distortion around 3d TM impurities with respect to the pristine ZnONTs.The magnetic moment increases for V-,Cr-doped ZnONTs and reaches maximum for Mn-doped ZnONTs,and then decreases for Fe-,Co-,Ni-and Cu-doped ZnONTs successively,which is consistent with the predicted trend of Hund's rule for maximizing the magnetic moments of the doped TM ions.However,the values of the magnetic moments are smaller than the predicted values of Hund's rule due to strong hybridization between p orbitals of the nearest neighbor O atoms of ZnONTs and d orbitals of the TM atoms.Furthermore,the Mn-,Fe-,Co-,Cu-doped(10,0) and(6,6) ZnONTs with half-metal and thus 100% spin polarization characters seem to be good candidates for spintronic applications.

关键词：第一原理计算 Mn掺杂电子应用碳纳米管铜掺杂低铁 3D TM

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First-principles study of the adsorption of oxygen atoms on copper nanowires

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Science China(Physics,Mechanics & Astronomy) 2012年第3期55卷 413-418页

作者： MA LiangCai ZHANG JianMin xu kewei College of Physics and Information Technology Shaanxi Normal UniversityXi’an 710062China School of Physics and Electrical Information Engineering Ningxia UniversityYinchuan 750021China Department of Physics Xi’an University of Arts and ScienceXi’an 710065China

By using first-principles calculations,we have systematically investigated the structural stability and electronic properties of a single oxygen atom adsorbed on the surface of foursquare Cu nanowires for a wide range of adsorption sites.In view of binding energy maximization,we found that the long bridge site at the edge of the Cu nanowires is the most stable site for oxygen adsorption,which is always slightly energetically favorable compared with the hollow site at the surface.The electron transferring from Cu atoms to O adatom and a significant polarization indicate the O-Cu chemical bond,showing some degree of ionic character.In addition,the hybridization between O-2p and Cu-3d states implies the O-Cu bond which also shows some degree of covalence character.The main factors which affect the oxygen preferred adsorption site are analyzed from the local geometrical configurations and electronic properties.

关键词：第一原理计算原子吸附铜原子纳米线氧原子结构稳定性电子性质吸附原子

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Structural and electronic properties of chiral single-wall copper nanotubes

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Science China(Physics,Mechanics & Astronomy) 2014年第4期57卷 644-651页

作者： DUAN YingNi ZHANG JianMin xu kewei College of Physics and Information Technology Shaanxi Normal University Department of Medical Engineering and Technology Xinjiang Medical University College of Physics and Mechanical and Electronic Engineering Xi'an University of Arts and Science

The structural,energetic and electronic properties of chiral(n,m)(3≤n≤6,n/2≤m≤n)single-wall copper nanotubes(CuNTs)have been investigated by using projector-augmented wave method based on density-functional theory.The(4,3)CuNT is energetically stable and should be observed experimentally in both free-standing and tip-suspended conditions,whereas the(5,5)and(6,4)CuNTs should be observed in free-standing and tip-suspended conditions,respectively.The number of conductance channels in the CuNTs does not always correspond to the number of atomic strands comprising the nanotube.Charge density contours show that there is an enhanced interatomic interaction in CuNTs compared with Cu bulk.Current transporting states display different periods and chirality,the combined effects of which lead to weaker chiral currents on CuNTs.

关键词：单壁碳纳米管电子性质手性结构原子间相互作用铜密度泛函理论悬浮条件

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Modulation of the electronic and magnetic properties of a GaN nanoribbon from dangling bonds

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Science China(Physics,Mechanics & Astronomy) 2012年第4期55卷 631-638页

作者： ZHANG JoanMin SUN ChunFeng xu kewei College of Physics andlnformation Technology Shaanxi Normal UniversityXi'an 710062China Department of Physics Xi'an University of Arts and ScienceXi'an 710065China

Though GaN nanoribbons(GaNNRs) with H atoms terminating both edges are nonmagnetic semiconductors,the extra dangling bond bands around the Fermi level lead to a transition from semiconducting to metallic,except for the armchair edge GaNNRs(AGaNNRs) with bare N and Ga edges,which are still nonmagnetic semiconductors due to the strong coupling of the dangling bonds of dimeric N and Ga atoms at the same edge.The larger difference in the charge density(up down) for edge bare N atoms and decaying for N sub-lattices away from the edge,as well as the smaller difference in the charge density for edge bare Ga atoms and without decaying for Ga sub-lattices away from the edge is consistent with the magnetic moment of a GaNNR with bare N edge being larger than that of a GaNNR with bare Ga edge.The magnetic moment of a zigzag edge GaNNR(ZGaNNR) with bare N(Ga) edge has nearly half the value of the magnetic moment of a AGaNNR with bare N(Ga) edge.Such a relationship also exists in the number of extra dangling bond states appearing around the Fermi level in the band structures.For ZGaNNRs,the magnetic moment of bare N and Ga edges is larger than either bare N edge or bare Ga edge,but smaller than their sum,implying that there exists an interaction between the dangling bonds at both edges of bare N and Ga edges.

关键词：磁性半导体氮化镓纳米带悬挂键调制电子费米能级 H原子

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Numerical study on two-phase flow in horizontal pipe

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排灌机械工程学报 2021年第4期39卷 379-385,425页

作者： WU Yuting xu kewei KIM Hyoungbum School of Mechanical and Aerospace Engineering Gyeongsang National UniversityJinju 52828S.Korea Research Center for Aircraft Parts Technology Gyeongsang National UniversityJinju 52828S.Korea

Two-phase flow in a horizontal pipe was investigated by using numerical and experimental visualization methods.A horizontal pipe was built for qualitative and quantitative flow visualization.The length of horizontal pipe flow system was 9.5 m and the inner diameter was 51 mm.High-speed video method was used for the qualitative visualization and PIV method was applied for the quantitative visua-lization.The same geometry model was used for the numerical study.Three flow regimes including stratified flow,elongated bubble and slug flow field were generated and visualized by using numerical and experimental methods.The results show that the numerical simulation results are qualitatively si-milar to that of the experimental results.In addition,more quantitative results can be analyzed by numerical method.Development and decay process of slug flow was investigated,showing that the decay of slug heavily depends on the magnitude of nose velocity and its lasting time.It can also be found that the liquid superficial velocity plays a significant role in affecting the slug frequency.When keeping the gas superficial velocity constant,the frequency will increase with the liquid superficial velocity.

关键词： two-phase flow CFD PIV slug flow slug frequency

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Scaling Behaviors of Surface Roughening of Cu Thin Films Deposited by Oblique Angle Deposition

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稀有金属材料与工程 2012年第S1期41卷 93-96页

作者： Liu Bo Yang Jijun Tang Rui xu kewei Sichuan Univ Key Lab Radiat Phys & Technol Minist Educ Inst Nucl Sci & Technol Chengdu 610064 Peoples R China Nucl Power Inst China Sci & Technol Reactor Fuel & Mat Lab Chengdu 610041 Peoples R China Xi An Jiao Tong Univ State Key Lab Mech Behav Mat Xian 710049 Peoples R China

Cu thin films with different thicknesses were deposited by magnetron sputtering at various oblique angle θ of incidence between the deposition flux and the substrate surface normal.Cross-section microstructure and surface morphology of the films were investigated by scanning electron microscope(SEM)and atomic force microscope(AFM),respectively.Then the scaling behaviors of film surface roughening were analyzed in terms of dynamic scaling theory.With the increasing of the deposition angle θ,the angleφbetween grain growth direction and substrate surface normal increased gradually.With increasing θ in the range of<50°,the roughness exponent α increased from 0.76 to 0.82 and the growth exponent β decreased from 0.42 to 0.35.However,when θ increased to 70°,α and β changed to 0.72 to 0.61,respectively.The evolution of the scaling exponents effectively revealed the fact that the film surface roughening arises from the competition between surface diffusion and shadowing effect.

关键词： Cu thin film surface scaling oblique angle deposition

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