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A Theoretical Study on the Equilibrium Structures and Relative Stabilities of H_2SO

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Chinese Journal of Structural Chemistry 2005年第1期24卷 104-108页

作者：陈文凯杨迎春李俊汉叶芝祥杨怀金 Department of Chemistry Fuzhou University Fuzhou 350002 ChinaState Key Laboratory of Structural Chemistry Fuzhou 350002 China Department of Earth and Environmental Sciences Chengdu University of Information Technology Chengdu 610041 China

MP2 and DFT/B3LYP calculations with Aug-cc-pvTz and Aug-cc-pvQz basis set levels are used to investigate the equilibrium structures and isomerization of H2SO isomers. All of the transition states have been calculated and confirmed by the intrinsic reaction coordinate (IRC). The calculated results show that H2SO isomers have three equilibrium structures and the linear structure is the most stable while the branched H2OS is the most unstable (the relative energies are 0.0, 82.1 and 155.3 kJ/mol for HSOH, H2SO and H2OS, respectively with the zero point vibrational energy correction at B3LYP/Aug-cc-pvQz level). It is difficult for the linear HSOH to convert to the branched H2SO and H2OS isomers due to the high activation energies (higher than ca. 200 and 160 kJ/mol, respectively). The predicted thermodynamic results also suggest that the linear structure is the most stable and may be the only species that can be found experimentally. The kinetic results demonstrate that the isomerization is a unimolecular one, and the reaction rate is slow.

关键词： H_2SO density functional theory isomerization transition-state theory

Hapln1 promotes dedifferentiation and proliferation of iPSC-derived cardiomyocytes by promoting versican-based GDF11 trapping

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Journal of Pharmaceutical Analysis 2024年第3期14卷 335-347页

作者： Ding-Jun Hao Yue Qin Shi-Jie Zhou Bu-huai Dong Jun-Song yang Peng Zou Li-Ping Wang Yuan-Ting Zhao Department of Spine Surgery Honghui HospitalXi'an Jiaotong UniversityXi'an710054China Department of Anesthesiology Honghui HospitalXi'an Jiaotong UniversityXi'an710054China Department of Cardiovascular Medicine Honghui HospitalXi'an Jiaotong UniversityXi'an710054China State Key Laboratory of Biotherapy/Collaborative Innovation Center for Biotherapy West China HospitalSichuan UniversityChengdu610041China

Hyaluronan and proteoglycan link protein 1(Hapln1)supports active cardiomyogenesis in zebrafish hearts,but its regulation in mammal cardiomyocytes is *** study aimed to explore the potential regulation of Hapln1 in the dedifferentiation and proliferation of cardiomyocytes and its therapeutic value in myocardial infarction with human induced pluripotent stem cell(hiPSC)-derived cardiomyocytes(CMs)and an adult mouse model of myocardial ***-CMs and adult mice with myocardial infarction were used as in vitro and in vivo models,*** single-cell RNA sequencing data were retrieved for bioinformatic *** results showed that recombinant human Hapln1(rhHapln1)promotes the proliferation of hiPSC-CMs in a dose-dependent *** a physical binding protein of Hapln1,versican interacted with Nodal growth differentiation factor(NODAL)and growth differentiation factor 11(GDF11).GDF11,but not NODAL,was expressed by ***11 expression was unaffected by rhHapln1 ***,this molecule was required for rhHapln1-mediated activation of the transforming growth factor(TGF)-β/Drosophila mothers against decapentaplegic protein(SMAD)2/3 signaling in hiPSC-CMs,which stimulates cell dedifferentiation and *** mouse Hapln1(rmHapln1)could induce cardiac regeneration in the adult mouse model of myocardial *** addition,rmHapln1 induced hiPSC-CM *** conclusion,Hapln1 can stimulate the dedifferentiation and proliferation of iPSC-derived cardiomyocytes by promoting versican-based GDF11 trapping and subsequent activation of the TGF-β/SMAD2/3 signaling ***1 might be an effective hiPSC-CM dedifferentiation and proliferation agent and a potential reagent for repairing damaged hearts.

关键词： Hapln1 Versican GDF11 iPSC-CMs Cardiomyocyte proliferation

相对论的德布罗意物质波及其应用于Aharonov-Bohm效应

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大学物理 2017年第8期36卷 1-4,35页

作者：崔怀洋北京航空航天大学物理系北京100191

本文提出了一种推广德布罗意物质波到相对论中去的新方法.写出了相对论德布罗意物质波的数学表达式,把相对论德布罗意物质波成功地应用于Aharonov-Bohm效应和计算氢原子能级的精细结构,计算结果与实验相符,与其他量子理论计算结果一致.

关键词：物质波 Aharonov-Bohm效应精细结构

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绿色建筑太阳能集热器有效集热面积设计探讨

中国给水排水 2014年第18期30卷 99-102页

作者：杨俊槐中国联合工程公司厦门分公司福建厦门361009

根据年均费用计算法,通过某绿色建筑超高层办公大楼太阳能热泵热水系统设计,得出结论:太阳能有效集热面积的选择,受当地气候、电费单价、太阳能集热器造价等因素的影响,且以当地气候、电费单价的影响最为显著。设计中,应根据以上因素,... 详细信息

根据年均费用计算法,通过某绿色建筑超高层办公大楼太阳能热泵热水系统设计,得出结论:太阳能有效集热面积的选择,受当地气候、电费单价、太阳能集热器造价等因素的影响,且以当地气候、电费单价的影响最为显著。设计中,应根据以上因素,通过经济效益分析,合理选择太阳能有效集热面积。

关键词：绿色建筑太阳能集热面积空气源热泵

右心结构改变与心电图V_1导联P波终末电势的关系

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中国循环杂志 2011年第4期26卷 291-293页

作者：杨怀恩天水407医院内1科甘肃省天水市741000

目的:应用超声心动图检查,分析右心结构改变与心电图上V1导联P波终末电势(ptfV1)的关系。方法:对52例同时行心电图及超声心动图检查的病例进行分析。结果:右心房心尖四腔短径、右心室心尖四腔长径ptfV1值即P波直立组、ptfV1>-0.03 mm.s... 详细信息

目的:应用超声心动图检查,分析右心结构改变与心电图上V1导联P波终末电势(ptfV1)的关系。方法:对52例同时行心电图及超声心动图检查的病例进行分析。结果:右心房心尖四腔短径、右心室心尖四腔长径ptfV1值即P波直立组、ptfV1>-0.03 mm.s组、ptfV1≤-0.03 mm.s组三个组间比较,差异有统计学意义(P=0.001,表2);但各组间LSD法检测P波直立组与ptfV1>-0.03 mm.s组之间比较差异无统计学意义(P>0.05)。右心室短轴流出道内径ptfV1值即P波直立组、ptfV1≤-0.03 mm.s组、ptfV1>-0.03 mm.s组三个组间比较,差异有统计学意义(P-0.03 mm.s组比较,差异无统计学意义(P>0.05)。肺动脉主干内径、右心房心尖四腔长径、左心室长轴观右心室前后径及右心室心尖四腔短径在P波直立组、ptfV1≤-0.03 mm.s组、ptfV1>-0.03 mm.s组三个组间比较差异均无统计学意义(P>0.05);各组间LSD法检测差异均无统计学意义(P>0.05)。结论:心电图ptfV1的出现与右心结构变化有一定关系。

关键词：超声心动描记术心电描记术 V1导联P波终末电势值

The Effects of Radiationon Crystal Transformationsof Poly（vinylidenefluoride）

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Chemical Research in Chinese Universities 1994年第3期10卷 197-201页

作者： ZHAO Zhu-di, yang huai, LANG Mei-dong and CHEN Xin-fang(Institute of Materiats Science , Jilin University, Changchun , 130023)

his paper covers the effects of γ-radiation on crystal transformations of Poly-(vinylidene fluoride)before and after drawing as well as during annealing *** results show that the drawing results in a drastic increase in both crystallinityalong the meridian direction and β-form crystal content for the irradiated *** the drawn samples were irradiated under appropriate dose and then annealedat 140℃ , transformation from β-form to a-form was subjected to an *** transformation mechanisms between the two types of crystals are discussed onthe basis of results of WAXD and DSC.

关键词： Poly(vinylidene fluoride) . γ-Irradiation. Drawing Annealing Crystaltransformation

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成岩作用效应模拟的应用

中国石油大学学报（自然科学版） 2009年第2期33卷 1-6页

作者：袁波杨俊生杨怀宇中国石油大学地球资源与信息学院山东东营257061 中国石油新疆油田分公司勘探开发研究院地球物理所新疆乌鲁木齐830011

以准噶尔盆地中央1区块侏罗系三工河组为例,改进成岩效应模拟研究方法,选取单井成岩指标镜质体反射率、甾烷异构化指数、粘土矿物伊/蒙混层中蒙皂石含量、古地温和石英加大体积含量来模拟侏罗系储层的成岩演化过程,建立单井纵向成岩演... 详细信息

以准噶尔盆地中央1区块侏罗系三工河组为例,改进成岩效应模拟研究方法,选取单井成岩指标镜质体反射率、甾烷异构化指数、粘土矿物伊/蒙混层中蒙皂石含量、古地温和石英加大体积含量来模拟侏罗系储层的成岩演化过程,建立单井纵向成岩演化序列。在此基础上模拟侏罗系三工河组的成岩史,得到平面上成岩演化阶段的空间展布特征和趋势,并对三工河组储层进行成岩相评价。研究表明,改进后的方法能够预测不同地史时期的成岩阶段和生、储、盖层的发育;在研究区东北侧的成岩阶段为晚成岩A1期,西北侧和南侧为晚成岩A2期。

关键词：准噶尔盆地成岩作用效应模拟成岩阶段成岩史

Iron-doping induced multiferroic in two-dimensional In2Se3

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Science China Materials 2020年第3期63卷 421-428页

作者： huai yang Longfei Pan Mengqi Xiao Jingzhi Fang Yu Cui Zhongming Wei State Key Laboratory of Superlattices and Microstructures Institute of SemiconductorsChinese Academy of Sciences&Center of Materials Science and Optoelectronics EngineeringUniversity of Chinese Academy of SciencesBeijing 100083China Beijing Academy of Quantum Information Sciences Beijing 100193China

Multiferroic materials exhibit tremendous potentials in novel magnetoelectric devices such as high-density non-volatile ***,we report the coexistence of ferroelectricity and ferromagnetism in two-dimensional Fedoped In2Se3(Fe0.16In1.84Se3,FIS).The Fe atoms were doped at the In atom sites and the Fe content is^3.22%according to the *** first-principles calculation based on the density-functional theory predicts a magnetic moment of 5μB per Fe atom when Fe substitutes In sites in *** theoretical prediction was further confirmed experimentally by magnetic *** results indicate that pure In2Se3 is diamagnetic,whereas FIS exhibits ferromagnetic behavior with a parallel anisotropy at 2 K and a Curie temperature of^8 ***,the sample maintains stable room-temperature ferroelectricity in piezoresponse force microscopy(PFM)measurement after the introduction of Fe atom into the ferroelectric In2Se3 *** findings indicate that the layered Fe0.16In1.84Se3 materials have potential in future nanoelectronic,magnetic,and optoelectronic applications.

关键词： 2D materials multiferroic iron-doping In2Se3

Mathematical Model,Numerical Simulation and Convergence Analysis of a Semiconductor Device Problem with Heat and Magnetic Influences

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Acta Mathematicae Applicatae Sinica 2024年第2期40卷 302-319页

作者： Chang-feng LI Yi-rang YUAN huai-ling SONG School of Economics Shandong UniversityJinan 250100China Institute of Mathematics Shandong UniversityJinan 250100China College of Mathematics and Econometrics Hunan UniversityChangsha 410082China

In this paper,the authors discuss a three-dimensional problem of the semiconductor device type involved its mathematical description,numerical simulation and theoretical *** important factors,heat and magnetic influences are *** mathematical model is formulated by four nonlinear partial differential equations(PDEs),determining four major physical *** influences of magnetic fields are supposed to be weak,and the strength is parallel to the *** elliptic equation is treated by a block-centered method,and the law of conservation is *** computational accuracy is improved one *** equations are convection-dominated,thus are approximated by upwind block-centered *** difference can eliminate numerical dispersion and nonphysical *** diffusion is approximated by the block-centered difference,while the convection term is treated by upwind ***,the unknowns and adjoint functions are computed at the same *** characters play important roles in numerical computations of conductor device *** the theories of priori analysis such as energy estimates,the principle of duality and mathematical inductions,an optimal estimates result is *** a composite numerical method is shown for solving this problem.

关键词： three-dimensional conductor device problem with heat and magnetic influences upwind blockcentered differences elemental conservation of mass numerical analysis