检索结果-南通市图书馆

Evaluation of the individual hydrogen bonding energies in N-methylacetamide chains

Science China Chemistry 2010年第8期53卷 1754-1761页

作者： xiaonan jiang ChangSheng Wang School of Chemistry and Chemical Engineering Liaoning Normal University Dalian 116029 China

The individual hydrogen bonding energies in N-methylacetamide chains were evaluated at the MP2/6-31+G** level including BSSE correction and at the B3LYP/6-311++G(3df,2pd) level including BSSE and van der Waals *** calculation results indicate that compared with MP2 results,B3LYP calculations without van der Waals correction underestimate the individual hydrogen bonding energies about 5.4 kJ m ol-1 for both the terminal and central hydrogen bonds,whereas B3LYP calculations with van der Waals correction produce almost the same individual hydrogen bonding energies as MP2 does for those terminal hydrogen bonds,but still underestimate the individual hydrogen bonding energies about 2.5 kJ mol-1 for the hydrogen bonds near the *** calculation results show that the individual hydrogen bonding energy becomes more negative (more attractive) as the chain becomes longer and that the hydrogen bonds close to the interior of the chain are stronger than those near the *** weakest individual hydrogen bonding energy is about-29.0 kJ m ol-1 found in the dimer,whereas with the growth of the N-methylacetamide chain the individual hydrogen bonding energy was estimated to be as large as-62.5 kJ mol-1 found in the N-methylacetamide decamer,showing that there is a significant hydrogen bond cooperative effect in N-methylacetamide *** natural bond orbital analysis indicates that a stronger hydrogen bond corresponds to a larger positive charge for the H atom and a larger negative charge for the O atom in the N-H···O=C bond,corresponds to a stronger second-order stabilization energy between the oxygen lone pair and the N-H antibonding orbital,and corresponds to more charge transfer between the hydrogen bonded donor and acceptor molecules.

关键词： N-methylacetamide chain the individual hydrogen bonding energy hydrogen bond cooperativity

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

A new method for quick predicting the strength of intermolecular hydrogen bonds

引用

Science China Chemistry 2009年第2期52卷 153-160页

作者： SUN ChangLiang ZHANG Yan jiang xiaonan WANG ChangSheng YANG ZhongZhi Department of Chemistry Liaoning Normal UniversityDalian 116029China

A new method is proposed to quick predict the strength of intermolecular hydrogen *** method is employed to produce the hydrogen-bonding potential energy curves of twenty-nine hydro-gen-bonded *** calculation results show that the hydrogen-bonding potential energy curves obtained from this method are in good agreement with those obtained from MP2/6-31+G calculations by including the BSSE correction,which demonstrate that the method proposed in this work can be used to calculate the hydrogen-bonding interactions in peptides.

关键词： intermolecular hydrogen bonds hydrogen-bonded dimer hydrogen-bonding potential energy curves

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Rapid Evaluation of Individual Hydrogen Bonding Energies in Linear Water Chains

引用

Chemical Research in Chinese Universities 2014年第3期30卷 447-454页

作者： HAO Jiaojiao LI Shushi jiang xiaonan HUANG Cuiying WANG Changsheng School of Chemistry and Chemical Engineering Liaoning Normal University Dalian 116029 P. R. China

A model is proposed to rapidly evaluate the individual hydrogen bonding energies in linear water chains. We regarded the two O--H bonds of a water molecule as two dipoles. The magnitude of the O--H bond dipole mo- ment can be varied due to the other water molecules＇ presence. An analytic potential energy function, which explicitly contains the permanent dipole-dipole interactions, the polarization interactions, the van der Waals interactions and the covalent interactions, was therefore established. The individual hydrogen bonding energies in a series of linear water chains were evaluated via the analytic potential energy function and compared with those obtained from the CP-corrected MP2/aug-cc-pVTZ calculations. The results show that the analytic potential energy function not only can produce the individual hydrogen bonding energies as accurately as the CP-corrected MP2/aug-cc-pVTZ method, but is very efficient as well, demonstrating the model proposed is reasonable and useful. Based on the individual hy- drogen bonding energies obtained, the hydrogen bonding cooperativity in the linear water chains was explored and the natures of the hydrogen bonding in these water chains were discussed.

关键词： Hydrogen bond Dipole-dipole interaction Polarization Covalency Water chain Cooperativity

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Crizotinib： From Chemical Entity to Anticancer Agent

引用

Journal of Pharmacy and Pharmacology 2017年第10期5卷 755-759页

作者： xiaonan jiang Weihua Song Qi Yang Zhangqun Yang Department of pharmacy Affiliated Hospital of Hebei University Hebei 071000 China

Crizotinib is a mesenchymal-epithelial transition/anaplastic largecell kinase （MET/ALK） multi-targeted receptor tyrosine kinase inhibitor and has been rapidly and successfully developed as an inhibitor in ALK-rearranged NSCLC （non-small cell lung cancer）. Lung cancer is the major cause of cancer-related mortality, accounting for over one quarter of cancer deaths. Lung cancers are generally divided into two main categories： SCLC （small cell lung cancer） and NSCLC. NSCLC accounts for approximately 85% of all lung cancers. ALK gene rearrangements are identified and targeted resulting in promising response rates for NSCLC in early studies. Considering the significance of Crizotinib in the treatment of NSCLC, the synthesis, pharmacodynamics, pharmacokinetics, therapeutic trials and adverse events are briefly overviewed in order to make more scholars, medical workers and patients have a more clear and comprehensive recognition on Crizotinib.

关键词： Crizotinib non-small cell lung cancer anaplastic largecell kinase inhibitor review.

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Aspect sensitivity of polar mesosphere summer echoes observed with the EISCAT VHF radar

引用

Advances in Polar Science 2018年第1期29卷 34-39页

作者： LI Hui WU Jian TIAN Ruihuan jiang xiaonan LIANG Yonggan China Research Institute of Radio wave Propagation(CRIRP) Beijing 100041China Department of physics Harbin Institute of TechnologyHarbin 150001China School of Physics and Optoelectronic Engineering Xidian UniversityXi’an 710126China

The European Incoherent Scatter Scientific Association(EISCAT) Very High Frequency(224 MHz) Radar has been used to investigate the aspect sensitivity of polar mesosphere summer echoes(PMSE) in the period 13–15 July 2010. The aspect sensitivity of PMSE using this radar and at such a high frequency has not been previously reported. Data concerning the aspect sensitivity of PMSE were collected by traversing the antenna beam from the zenith direction, and comparing the received power. Surprisingly, as the intensity received by the oblique beam was often larger than that of the vertical beam, suggesting the presence of tilted dusty plasma layers as a potential cause, a theoretical model was developed to confirm the existence of these layers and their formation process. The experimental results and theoretical model presented help elucidate the structural properties of the possible generation mechanism of strong radar echoes in the polar summer mesosphere region.

关键词： polar mesosphere radar echoes gravity wave dusty plasma layers

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

含酰胺和尿嘧啶的氢键复合物的三体效应

引用

高等学校化学学报 2014年第11期35卷 2403-2409页

作者：李书实姜笑楠王长生辽宁师范大学化学化工学院大连116029

采用包含BSSE校正的MP2／aug—cc—pVTZ方法对酰胺、二肽、尿嘧啶和水分子形成的氢键复合物的三体效应进行了研究，分析了三体作用能对体系总作用能的贡献．结果表明，在这些氢键复合物中，三体作用能占体系总作用能的10％～20％，三体... 详细信息

采用包含BSSE校正的MP2／aug—cc—pVTZ方法对酰胺、二肽、尿嘧啶和水分子形成的氢键复合物的三体效应进行了研究，分析了三体作用能对体系总作用能的贡献．结果表明，在这些氢键复合物中，三体作用能占体系总作用能的10％～20％，三体作用属于近程作用，因此在分子模拟中至少应考虑近处的三体效应．

关键词：三体效应氢键复合物作用能酰胺尿嘧啶团簇体系凝聚相体系

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Simulation of DC glow discharge plasma with free-moving dust particles in the radial direction

引用

Plasma Science and Technology 2023年第9期25卷 73-81页

作者：田瑞焕梁勇敢郝书吉冯杰江晓楠李辉袁承勋吴健 National Key Laboratory of Electromagnetic Environment(LEME) China Research Institute of Radio Wave PropagationQingdao 266170People’s Republic of China School of Physics Harbin Institute of TechnologyHarbin 150001People’s Republic of China

A self-consistent fluid model is developed to investigate the radial distributions of dusty plasma parameters in a DC glow discharge,in which the extended fluid approach of plasma particles and the transport equations of dust particles are *** electrical interaction between charged dust particles is considered in the *** time evolution of radial distributions of dust density,plasma density,the radial component of electric field and the forces acting on dust particles when dust density tends to be stable,are obtained and analyzed under different discharge currents and dust particle *** is shown that the dust density structure is determined mainly by the radial electrostatic force,thermophoretic force and ion drag force in the discharge tube,and both discharge current and dust particle radius have an obvious effect on the transport processes of dust *** dust particles gather in the central region of the discharge tube for low discharge current and small dust radius,then dust voids are formed and become wider when the discharge current and dust radius *** plasma parameters in the dust gathering region are obviously affected by the dust particles due to the charging processes of electrons and ions to the dust surface.

关键词： dusty plasma glow discharge extended fluid model dust transport processes dust-void

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

An HDR Imaging Method With DTDI Technology for Push-Broom Cameras

引用

Photonic Sensors 2018年第1期8卷 34-42页

作者： Wu SUN Chengshan HAN Xucheng XUE Hengyi LV Junxia SHI Changhong HU Xiangzhi LI Yao FU xiaonan jiang Liang HUANG Hongyin HAN Changchun Institute of Optics Fine Mechanics and Physics Chinese Academy of Sciences Changchun 130033 China University of Chinese Academy of Sciences Beijing 100049 China

Conventionally, high dynamic-range （HDR） imaging is based on taking two or more pictures of the same scene with different exposure. However, due to a high-speed relative motion between the camera and the scene, it is hard for this technique to be applied to push-broom remote sensing cameras. For the sake of HDR imaging in push-broom remote sensing applications, the present paper proposes an innovative method which can generate HDR images without redundant image sensors or optical components. Specifically, this paper adopts an area array CMOS （complementary metal oxide semiconductor） with the digital domain time-delay-integration （DTDI） technology for imaging, instead of adopting more than one row of image sensors, thereby taking more than one picture with different exposure. And then a new HDR image by fusing two original images with a simple algorithm can be achieved. By conducting the experiment, the dynamic range （DR） of the image increases by 26.02dB. The proposed method is proved to be effective and has potential in other imaging applications where there is a relative motion between the cameras and scenes.

关键词： Push-broom cameras HDR imaging remote sensing

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

槲皮素与腺嘌呤氢键作用的最佳位点

引用

高等学校化学学报 2015年第5期36卷 932-938页

作者：王晓雯李爽姜笑楠王长生辽宁师范大学化学化工学院大连116029

本文优化得到了16个由槲皮素与腺嘌呤形成的氢键复合物的稳定结构,并计算了它们的结合能.研究发现,在气相和水相中,槲皮素均通过qu1位点与腺嘌呤作用形成稳定的氢键复合物.比较了腺嘌呤与槲皮素形成的氢键复合物、腺嘌呤与胸腺嘧啶形成... 详细信息

本文优化得到了16个由槲皮素与腺嘌呤形成的氢键复合物的稳定结构,并计算了它们的结合能.研究发现,在气相和水相中,槲皮素均通过qu1位点与腺嘌呤作用形成稳定的氢键复合物.比较了腺嘌呤与槲皮素形成的氢键复合物、腺嘌呤与胸腺嘧啶形成的Watson-Crick碱基对的相对稳定性.在气相条件下Watson-Crick碱基对更稳定,在水相条件下腺嘌呤与槲皮素形成的氢键复合物更稳定,说明水相条件下腺嘌呤与槲皮素之间的相互作用强于与胸腺嘧啶之间的相互作用.基于标准反应Gibbs自由能变的计算结果估算了水相条件下腺嘌呤与槲皮素形成的氢键复合物和Watson-Crick碱基对的相对平衡浓度.

关键词：槲皮素腺嘌呤氢键复合物结合能标准反应Gibbs自由能变

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

极区夏季中层尘埃等离子体密度扰动功率谱分析研究

引用

电波科学学报 2019年第2期34卷 244-248页

作者：江晓楠李辉郭立新西安电子科技大学物理与光电工程学院西安710071 中国电波传播研究所电波环境特性及模块化技术重点实验室青岛266107

利用北欧火箭探空测量的极区夏季中层尘埃等离子体历史试验数据,采用傅里叶分析方法,计算了不同高度的尘埃密度和电子密度扰动功率谱.数值结果表明,在不同高度尘埃等离子体的扰动功率谱指数存在较大的差异,从功率谱的角度证明了中层顶... 详细信息

利用北欧火箭探空测量的极区夏季中层尘埃等离子体历史试验数据,采用傅里叶分析方法,计算了不同高度的尘埃密度和电子密度扰动功率谱.数值结果表明,在不同高度尘埃等离子体的扰动功率谱指数存在较大的差异,从功率谱的角度证明了中层顶尘埃等离子体不规则体结构并非都是由中性大气湍流产生的,与实验观测结果相符.研究结果对理解极区夏季中层回波(polar mesopause summer echoes, PMSE)的物理机制具有重要的意义.

关键词：中层大气尘埃等离子体雷达回波大气湍动功率谱

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：