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Density Functional Theory Study of Infrared and Ultraviolet Spectra of Urea L-Malic Acid

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Chinese Journal of Chemical Physics 2008年第6期21卷 535-540页

作者： Yan-lan Zhang hong-yan Wang Dong-sheng Jiao Yong-hong hu Institute of Atomic and Molecular Physics Sichuan University Chengdu 610065 China College of Sciences Southwest Jiaotong University Chengdu 610031 China College of Life Science and Pharmaceutical Engineering Nanjing University of Technology Nanjing 210009 China

Urea L-malic acid, a new second order nonlinear optical crystal, was studied using density functional theory （DFT）. PBEPBE/6-31＋G（d,p） method, the optimal method for comparing the results from the several DFT methods, was chosen to study the molecular structure. Infrared and ultraviolet-visible spectra were obtained and compared with experiments. The ultraviolet-visible spectrum was also analyzed by the molecular orbital population. The geometries, and the infrared and ultraviolet-visible spectra in water were studied using DFT methods in combination with the polarized continuum model to predict the perturbations by the solvent effect.

关键词： Urea L-malic acid Density functional theory Molecular structure Infrared spectrum Ultraviolet-visible spectrum

Bacterial diversity in soils around a lead and zinc mine

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Journal of Environmental Sciences 2007年第1期19卷 74-79页

作者： hu Qing QI hong-yan ZENG Jing-hai ZHANG hong-xun Department of Environmental Biotechnology Research Center for Eco-Environmental Sciences Chinese Academy of Sciences Beijing 100085 China

Five samples of soil collected from a lead and zinc mine were used to assess the effect of combined contamination of heavy metals on soil bacterial communities using a polyphasic approach including characterization of isolates by culture method, community level catabolic profiling in BIOLOG GN microplates, and genetic community fingerprinting by denaturing gradient gel electrophoresis of 16S rDNA fragments amplified by PCR from community DNA （PCR-DGGE）. The structure of the bacterial community was affected to a certain extent by heavy metals. The PCR-DGGE analysis of 16S rRNA genes showed that there were significant differences in the structure of the microbial community among the soil samples, which were related to the contamination levels. The number of bacteria and the number of denaturing gradient gel electrophoresis （DGGE） bands in the soils increased with increasing distance from the lead and zinc mine tailing, whereas the concentration of lead （Pb） and cadmium （Cd） was decreased. Heavily polluted soils could be characterized by a community that differs from those of lightly polluted soils in richness and structure of dominating bacterial populations. The clustering analysis of the DGGE profiles showed that the bacteria in all the five samples of soil belonged to three clusters. The data from the BIOLOG analysis also showed the same result. This study showed that heavy metal contamination decreased both the biomass and diversity of the bacterial community in soil.

关键词： BIOLOG system DGGE heavy metal microbial diversity soils

The Existence of LHMTS(m^v) and LHDTS(m^v)

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Acta Mathematica Sinica,English Series 2018年第11期34卷 1703-1717页

作者： Xiang Qian LI Ru hong hu Zi hong TIAN Institute of Mathematics Beijing Jiaotong University Beijing 100044 P. R. China College of Mathematics and Information Science Hebei Normal University Shijiazhuang 050024 P. R. China

In this article, we establish the existence of an LHMTS（mv） for v ≡ 2 （mod 6） and m≡ 3 （mod 6）. Thus there exists an LHMTS（mv） if and only if v（v-1）m2 ≡ 0 （mod 3） except possibly for v=6, m≡ 1, 5 （mod 6） and m≠1. In the similar way, the existence of LHDTS（mv） is completely determined, i.e., there exists an LHDTS（mv） if and only if v（v-1）m2 ≡ 0 （mod 3）.

关键词： Holey Mendelsohn triple system holey directed triple system large set

Preparation of Indolizine by Intramolecular 1,5-Dipolar Cycloaddition of Pyridinium N-Allylides

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Chemical Research in Chinese Universities 1998年第2期14卷 105-106页

作者： ZHOU Jian hu Yue fei hu hong wen Department of Chemistry Nanjing UniversityNanjing210093

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关键词： Indolizine Pyridinium allylide Intramolecular 1,5-dipolar cycloaddition

Matching Realization of U_q(sl_(n+1)) of Higher Rank in the Quantum Weyl Algebra W_q(2n)

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Acta Mathematica Sinica,English Series 2014年第10期30卷 1674-1688页

作者： Nai hong hu Shen You WANG Department of Mathematics and Shanghai Key Laboratory of PMMP East China Normal University

In the paper, we further realize the higher rank quantized universal enveloping algebra Uq（sln＋1） as certain quantum differential operators in the quantum Weyl algebra Wq （2n） defined over the quantum divided power algebra Sq（n） of rank n. We give the quantum differential operators realization for both the simple root vectors and the non-simple root vectors of Uq（sln＋1）. The nice behavior of the quantum root vectors formulas under the action of the Lusztig symmetries once again indicates that our realization model is naturally matched.

关键词： Quantum divided power algebra quantum differential operators quantum Weyl algebra,Lusztig symmetries matching realization

Objective Reduction Solutions to Higher-Order Boussinesq System in (2+1)-Dimensions

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Communications in Theoretical Physics 2009年第1期51卷 47-52页

作者： hu Ya-hong ZHENG Chun-Long College of Mathematics and Physics Lishui University Lishui Zhejiang 323000 China Shanghai Institute of Applied Mathematics and Mechanics Shanghai University Shanghai 200072 China

With the help of an objective reduction approach （ORA）, abundant exact solutions of （2＋1）-dimensional higher-order Boussinesq system （including some hyperboloid function solutions, trigonometric function solutions, and a rational function solution） are obtained. It is shown that some novel soliton structures, like single linearity soliton structure, breath soliton structure, single linearity y-periodic solitary wave structure, libration dromion structure, and kink-like multisoliton structure with actual physical meaning exist in the （2＋1）-dimensional higher-order Boussinesq system.

关键词： objective reduction approach higher-order Boussinesq exact solution localized excitation

Structural and mechanistic understanding of an active and durable graphene carbocatalyst for reduction of 4-nitrophenol at room temperature

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Nano Research 2015年第12期8卷 3992-4006页

作者： huawen hu John H. Xin hong hu Xiaowen Wang Nanotechnology Centre Institute of Textiles and Clothing The Hong Kong Polytechnic University Hong Kong SAR 999077 China

The development of an active, durable, and metal-free carbocatalyst that is able to replace metal-based catalysts is of increasing scientific and technological importance. The use of such a catalyst would avoid problems caused by metal- containing catalysts, for example, environmental pollution by heavy metals and depletion of rare metal resources. Herein, an active and durable graphene carbocatalyst is presented for the carbocatalytic conversion of 4-nitrophenol to 4-aminophenol at ambient temperature. The carbocatalyst was prepared via a mild, water-based reaction between L-ascorbic acid （AA） and graphene oxide （GO） and did not involve any other reactants. During the structure and catalytic property optimization, a series of carbocatalysts were fabricated at various reaction temperatures and AA/GO ratios. Using several characterization techniques, detailed structural features of these carbocatalysts were identified. Possible active species and sites on the carbocatalysts were also identified such as certain oxygen-containing groups, the ~x-conjugated system, and graphene sheet edges. In addition, the synergistic effect between these active species and sites on the resulting catalytic activity is highlighted. Furthermore, we clarified the origin of the high stability and durability of the optimized carbocatalyst. The work presented here aids the design of high-performance carbocatalysts for hydrogenation reactions, and increases understanding of the structural and mechanistic aspects at the molecular level that lead to high catalyst activity and durability.

关键词： metal-free graphene carbocatalyst activity and durability L-ascorbic acid active sites and domains synergistic effect carbocatalytic conversion of 4-nitrophenol (4NP) to 4-aminophenol (4AP)

A preliminary study of isopropyl alcohol matrix effect and correction in ICP-MS

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Chinese Chemical Letters 2007年第10期18卷 1297-1300页

作者： Zhao Chu hu Shan Gao Sheng hong hu Yong Sheng Liu Hai hong Chen State Key Laboratory of Geological Processes and Mineral Resources China University of Geosciences Wuhan 430074 China ＇State Key Laboratory of Continental Dynamics Northwest University Xi＇an 710069 China

Isopropyl alcohol matrix effect was found to be element specific by using the defined matrix effect factor in ICP-MS, which could not be corrected by using the conventional internal reference method. Unlike the conventional internal reference method, the presented method allows for the analyte to behave differently from the internal reference under the influence of the matrix.

关键词： ICP-MS Isopropyl alcohol Matrix effect

Intrinsic Decoherence on Two-Qubit Heisenberg XX Chain

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Communications in Theoretical Physics 2007年第5期47卷 811-815页

作者： HE Zheng-hong XIONG Zu-hong hu Dong-Mei School of Physics Southwest University Chongqing 400715 China

Quantum teleportation is investigated by using the entangled states of two-qubit Heisenberg XX chain in an external uniform magnetic field as resources in the model of Milburn＇s intrinsic decoherence. Though intrinsic decoherence on quantum entanglement and quantum teleportation exerts different effects in different initial systems, proper magnetic fields and probabilities of different eigenstates in the initial states can weaken the effects.

关键词： Heisenberg chain fidelity intrinsic decoherence entanglement