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Theoretical Research on the Multi-channel Reaction Mechanism of CHF Radical with HNCO by Density Functional Theory

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Chinese Journal of Structural Chemistry 2015年第8期34卷 1151-1160页

作者： HAN Yan-Xia KONG Chao HOU li-Jie WU Bo-Wan CHEN Dong-Ping gao li-guo School of Chemistry & Chemical Engineering Longdong University State Key Laboratory for Oxo Synthesis and Selective Oxidation Lanzhou Institute of Chemical Physics Chinese Academy of Science School of Chemistry & Chemical Engineering Yulin University

The reaction mechanism of CHF radical with HNCO was investigated by the B3LYP method of density functional theory （DFT）, while the geometries and harmonic vibration frequencies of reactants, intermediates, transition states and products were calculated at the B3LYP/6-311＋＋G＊＊ level. In the temperature range of 100-2600 K, the statistical thermody- namics and Eyring transition state theory with Winger correction were used to study the thermodynamic and kinetic characters of the channel with low energy barrier. In addition, the analysis on the combining interaction between CHF radical and HNCO was performed by atom-in-molecules theory （AIM） and natural bond orbitals （NBO） analysis. The calculation results indicated that the reaction of CHF radical with HNCO had ten channels, and the channel of NH direct extraction （CHF ＋ HNCO→IM6→TS7→IM7→CHFNH ＋ CO） in singlet state was the main channel with low potential energy and high equilibrium constant and reaction rate constant. CHFNH and CO were the main products.

关键词： CHF radical, isocyanic acid, mechanism, equilibrium constant, rate constant

Preparation of Konjac Glucomannan and Acrylamide Grafted Konjac Glucomannan

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Wuhan University Journal of Natural Sciences 1999年第4期4卷 459-462页

作者： Xiao Chao-bo gao Shan-jun li guo-rong Zhang Qun-chao Wuhan University College of Chemistry and Environmental Science Wuhan China (GRID:grid.49470.3e) (ISNI:***)

Konjac glucomannan (KGM) with good water solubility was extracted and purified by a cheap and simple method including fat-extraction, protein-extraction, decolouring, centrifuge, precipitate and other procession from tubers of amorphophallus riveiri. Acrylamide grafted konjac glucomannan (AKGM) was prepared in the presence of Ce(IV) serving as initiator in order to elucidate its molecular weight. Results from the measurements of capillary viscosity by figuring out the specific viscosity and applying to Mark-Howink equation showed that the viscosity-average molecular weight of acrylamide grafted konjac glucomannan was about 9.58×105.

关键词： Konjac glucomannan extract graft

No-formaldehyde Wood-plastic Composite Plywood in China

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Chinese Forestry Science and Technology 2007年第1期6卷 9-13页

作者： CHANG liang WANG Zheng gao li guo Wenjing Research Institute of Wood Industry Chinese Academy of ForestryBeijing 100091. P.R. China

As a new product invented by the Research Institute of Wood Industry, no-formaldehyde wood-plastic composite plywood is the harvest of the cross-study on wood-plastic composite and plywood industry, It has no formaldehyde emission, with an excellent environment-friendly performance and a good bonding quafity. This paper analyses the strongpoints and market of this wood-plastic composite plywood.

关键词： no-formaldehyde plywood wood-plastic composite review environmental protection bonding quality product strongpoint

Notch signaling： a novel regulating differentiation mechanism of human umbilical cord blood-derived mesenchymal stem cells into insulin-producing cells in vitro

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Chinese Medical Journal 2010年第5期123卷 606-614页

作者： HU Yan-hua WU De-quan gao Feng li guo-dong ZHANG Xin-chen Department of General Surgery Second Affiliated Hospital of Harbin Medical University Harbin Heilongjiang 150086 China

Background Human umbilical cord blood-derived mesenchymal stem cells （UCB-MSCs） could be induced to differentiate into insulin producing cells （IPCs） in vitro, which have good application potential in the cell replacement treatment of type-1 diabetes. However, the mechanisms regulating this differentiation have remained largely unknown. Notch signaling is critical in cell differentiation. This study investigated whether Notch signaling could regulate the IPCs differentiation of human UCB-MSCs. Methods Using an interfering Notch signaling protocol in vitro, we studied the role of Notch signaling in differentiation of human UCB-MSCs into IPCs. In a control group the induction took place without interfering Notch signaling. Results Human UCB-MSCs expressed the genes of Notch receptors （Notch 1 and Notch 2） and ligands （Jagged 1 and Deltalike 1）. Human UCB-MSCs with over-expressing Notch signaling in differentiation resulted in the down-regulation of insulin gene level, proinsulin protein expression, and insulin-positive cells percentage compared with the control group. These results showed that over-expressing Notch signaling inhibited IPCs differentiation. Conversely, when Notch signaling was attenuated by receptor inhibitor, the induced cells increased on average by 3.06-fold （n=-4, P 〈0.001） in insulin gene level, 2.60-fold （n=-3, P 〈0.02） in proinsulin protein expression, and 1.62-fold （n=-6, P 〈0.001） in the rate of IPCs compared with the control group. Notch signaling inhibition significantly promoted IPCs differentiation with about 40% of human UCB-MSCs that converted to IPCs, but these IPCs were not responsive to glucose challenge very well both in vitro and in vivo. Hence, further research has to be carried out in the future. Conclusions Notch signaling may be an important mechanism regulating IPCs differentiation of human liCB-MSCs in vitro and Notch signaling inhibition may be an efficient way to increase the number of IPCs, which may resolve the shortage of

关键词： Notch signaling mesenchymal stem cells differentiation insulin producing cells diabetes

木犀草素和Cd(Ⅱ)离子络合反应的光谱及计算研究(英文)

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无机化学学报 2013年第9期29卷 1985-1992页

作者：宋小利高立国曹炜榆林学院化学化工学院榆林719000 西北大学化学工程学院西安710069

用密度泛函理论(DFT)计算研究了木犀草素与镉离子通过不同方式结合所形成的若干种典型结构,包括天然木犀草素分子与镉离子、去质子的木犀草素分子与镉离子、去质子的木犀草素分子与水化镉离子在不同位点结合所形成的所有产物结构,并且... 详细信息

用密度泛函理论(DFT)计算研究了木犀草素与镉离子通过不同方式结合所形成的若干种典型结构,包括天然木犀草素分子与镉离子、去质子的木犀草素分子与镉离子、去质子的木犀草素分子与水化镉离子在不同位点结合所形成的所有产物结构,并且确定了木犀草素与镉离子结合的准确位置。结果表明,木犀草素与镉离子的络合反应发生在5-羟-4-酮位。去质子的木犀草素分子与镉离子的络合能力强于天然木犀草素分子。通过计算概念DFT指数比较了木犀草素及不同配合物之间的反应活性差别。此外,为了进一步验证理论研究所得出的结论,本工作还从实验角度进行了研究,在合成木犀草素-镉配合物的基础上,通过红外和紫外可见光谱分析方法来判断配合物的结构。结果表明,理论计算结果与实验结果很吻合良好。

关键词：配位化学配合物镉离子木犀草素结合位点概念密度泛函理论

我国市县开展“多规合一”试点的成效、制约及对策

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经济纵横 2017年第10期 41-46页

作者：高国力中国宏观经济研究院科研管理部北京100038

针对市县各类规划存在相互分割和矛盾的突出问题,2014年我国启动了市县"多规合一"试点工作。试点工作开展三年以来,在规划调整、路径模式、规程规范、体制机制、立法保障、省级试点等方面进展明显,取得一定成效,积累了一些经验。但同时... 详细信息

针对市县各类规划存在相互分割和矛盾的突出问题,2014年我国启动了市县"多规合一"试点工作。试点工作开展三年以来,在规划调整、路径模式、规程规范、体制机制、立法保障、省级试点等方面进展明显,取得一定成效,积累了一些经验。但同时,在规划期限、规划主体、规划层次、规划审批、规划法律等方面仍存在明显的制度性约束,尚未形成全面、统一、明确的解决办法和标准,严重制约下一步试点工作的持续稳步推进。今后,应从完善市县规划体系、加强省级和市县空间规划协调、理顺配套体制机制、强化立法保障等方面促进市县"多规合一"稳步推进,尽早形成一套可复制、可推广的经验模式,促进我国市县规划体系的功能完善和效益发挥。

关键词：多规合一试点工作空间规划规划体系

Local magnetic moment oscillation around an Anderson impurity on graphene

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 192-201页

作者： Shuai li Zhen Ma Jin-Hua gao School of Science Hebei University of Science and Technology School of Electronics and Information Zhengzhou University of Light Industry School of Physics and Wuhan National High Magnetic Field Center Huazhong University of Science and Technology

We theoretically investigate the spin resolved Friedel oscillation （FO） and quasiparticle interference （QPI） in graphene induced by an Anderson *** the impurity becomes magnetic,the resulted FO becomes spin dependent,which gives rise to a local magnetic moment oscillation with an envelop decaying as r-2in real space in the doping ***,at half filling,the electron density and local magnetic moment will not oscillate but decay as *** spin resolved FO has both sublattice and spin ***,the local magnetic moment decay at half filling only occurs at one sublattice of graphene,which is quite like the phenomenon observed in the STM experiment (***ález-Herrero et al.,Science 352,437 （2016）).We further give an analytic formula about such spin dependent FO based on the stationary phase ***,we study the interference of quasiparticles around the magnetic impurity by calculating the spin dependent Fourier-transformed local density of states （FT-LDOS）.Our work gives a comprehensive understanding about the local magnetic moment oscillation around an Anderson impurity on graphene.

关键词： Friedel oscillation local magnetic moment graphene Anderson impurity

面向中国式现代化的新型城市高质量发展战略方向

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城市问题 2023年第1期 12-14页

作者：高国力中国城市和小城镇改革发展中心中国城市经济学会

党的二十大报告首次全面系统地对中国式现代化进行了远景式勾勒,明确了中国共产党的中心任务就是在未来带领全国各族人民全面建成社会主义现代化强国,全面推进中华民族伟大复兴。实现两个“全面”的重要抓手就是党的二十大报告中提出的... 详细信息

党的二十大报告首次全面系统地对中国式现代化进行了远景式勾勒,明确了中国共产党的中心任务就是在未来带领全国各族人民全面建成社会主义现代化强国,全面推进中华民族伟大复兴。实现两个“全面”的重要抓手就是党的二十大报告中提出的中国式现代化。这是首次系统阐述了中国式现代化的五个主要特色,紧密贴合了中国的基本国情,也旗帜鲜明地体现了我国与西方发达经济体现代化的不同之处。中国式现代化的中国特色是人口规模巨大、全体人民共同富裕、物质文明和精神文明相协调、人与自然和谐共生、走和平发展道路的现代化。城市高质量发展离不开中国式现代化的五个特色指引,中国式现代化顺利推进更离不开城市高质量发展的有力支撑。

关键词：发达经济体中国式现代化社会主义现代化强国质量发展战略和平发展道路高质量发展全面建成基本国情

DESIGN AND ANALYSIS OF MULTI-STEP AMPliTUDE QUANTIZATION WEIGHTED 2-D SOliD-STATE ACTIVE PHASED ARRAY ANTENNAS

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Journal of Electronics(China) 1994年第1期11卷 71-78页

作者：高铁李建新郭燕昌 Nanjing Research Institute of Electronic Technology Nanjing 210013Nanjing Research Institute of Electronic Technology Nanjing 210013Nanjing Research Institute of Electronic Technology Nanjing 210013

An aperture design technique using multi-step amplitude quantization for two-dimensional solid-state active phased arrays to achieve low sidelobe is described. It can be applied to antennas with arbitrary complex aperture. Also, the gain drop and sidelobe degradation due to random amplitude and phase errors and element (or T/R module) failures are investigated.

关键词： Solid-state active phased array antenna Multi-step amplitude quantization Low sidelobe Amplitude and phase errors Gain loss Failure