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Kinetic study and DFT calculation on the tetracycline abatement by peracetic acid

Chinese Chemical Letters 2024年第9期35卷 346-350页

作者： dan-Ying Xing Xiao-dan Zhao Chuan-shu He Bo Lai College of Chemical Engineering Huaqiao UniversityXiamen 361021China State Key Laboratory of Hydraulics and Mountain River Engineering College of Architecture and EnvironmentSichuan UniversityChengdu 610065China

Water contamination by tetracycline(TC)has emerged as an environmental concern owing to its widespread use and antibiotic *** of peracetic acid(PAA)in the water and wastewater treatment has recently been proposed and demonstrated to be effective for TC abatement,yet the underlying reaction kinetics between the PAA and TC are not yet *** explore the reaction kinetics,the effect of solution pH on TC abatement by PAA is studied and the species-specific rate constants are *** ability to donate and accept electrons for different species of TC and PAA is evaluated via density functional theory(DFT)*** pH-dependent apparent second-order rate constants of TC abatement by PAA exhibits the parabolic shape with the maximum at p H 8.5(9.75 L mol^(-1)s^(-1)).This phenomenon is closely related to the speciation of TC and PAA,in which the reaction between PAAH and TTC^(2-)possesses the highest species-specific rate constants according to the kinetic *** DFT calculations suggest that the HOMO of TTCH^(+),TTC,TTC^(-),TTC^(2-)and the LUMO of PAAH and PAA-are–6.40,–6.26,–5.10,–4.94 e V and–0.24,0.60 e V,*** to the DFT calculations,deprotonation of TC and PAA leads to an increase of the HOMO value of TC and the LUMO value of ***,the HOMOTC–LUMOPAAvalues is in good agreement with the trend of species-specific rate constants,which can be used to evaluate the reactivity between PAA and TC with different *** study provides the kinetic data and theoretical basis for the reaction of PAA and TC,which is critical for the application of PAA in the treatment of water and wastewater.

关键词： Peracetic acid Tetracycline Kinetics Rate constants DFT calculation

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Application of high-pressure technology in exploring mechanical properties of high-entropy alloys

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Tungsten 2023年第1期5卷 50-66页

作者： shu-Cong Li Qing-Lin Wang yu Yao dan-dan Sang Hai-Wa Zhang Guo-Zhao Zhang Cong Wang Cai-Long Liu Shandong Key Laboratory of Optical Communication Science and Technology School of Physics Science&Information TechnologyLiaocheng UniversityLiaocheng 252059China College of Mathematics and Physics Beijing University of Chemical TechnologyBeijing 100029China

In recent years,high-entropy alloys(HEAs) have developed a lot as the new style of materials,which have become a research focus in the materials *** breaks the normal procedure of traditional alloy design(based on one/two elements as the main component,and adds some other elements to improve the micro structure and required related performance of the alloy),and consists of five or more equal or nearly equal elements,with multiple principal ***,HEAs have many excellent mechanical properties compared with traditional alloys,which have aroused great research interest of *** rapid development of high-pressure technology makes it a powerful tool to modulate the structures of HEAs,and brings new chance for the study and optimization of mechanical properties of *** this paper,the application of high-pressure technology in exploring and improving the mechanical properties of HEAs is reviewed,which could deepen the understanding of high-pressure technology and provide a new avenue for further exploration of HEAs’ mechanical properties.

关键词： High-entropy alloys Mechanical properties High-pressure torsion High-pressure Diamond anvil cells

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Influence of potential on structure and properties of microarc oxidation coating on Mg alloy

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Journal of Central South University of Technology 2005年第Z1期12卷 12-17页

作者： DENG shu-hao YI dan-qing GONG Zhu-qing SU yu-chang School of Materials Science and Engineering Central South University Changsha 410083 China School of Materials Science and Engineering Central South University Changsha 410083 China School of Metallurgical Science and Engineering Central South University Changsha 410083 China School of Materials Science and Engineering Central South University Changsha 410083 China

In order to obtain optimizing microarc oxidation coating on Mg alloy from a friendly-enviormental electrolyte free of Cr6+ and PO43-, constant potential regime was applied to produce it. The influence of potential on the morphology, composition, structure and other properties, such as microhardness and corrosion resistance were investigated by scanning electron microscopy (SEM), energy dispersive spectroscope (EDS), X-ray diffraction (XRD), hardness tester and electrochemical method. The results clearly show that oxidation potential plays an important role in the formation of coating's structure and properties. The microarc oxidation coating is smooth and white, which consists of two layers. The external layer is loose and porous and enriched in Al and Si. Moreover, its content of Al and Si increases with the increasing operated potential. While the inner layer is compact and the content of Al and Si are lower than that of the external layer. The coating is composed of several phases and the major phases are MgA12O4 and MgO, and the minor phases are Al2O3 and SiO2 when the potential is higher. The microhardness of coating is obtained the maximum at the potential of 45 V, so does the corrosion resistance.

关键词： microarc oxidation magnesium alloy structure property

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In situ assembly of magnetic nanocrystals/graphene oxide nanosheets on tumor cells enables efficient cancer therapy

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Nano Research 2020年第4期13卷 1133-1140页

作者： Mingyang Liu Yang Lu Qilin yu shu-Hong yu Key Laboratory of Molecular Microbiology and Technology Ministry of EducationDepartment of MicrobiologyCollege of Life SciencesNankai UniversityTianjin 300071China Division of Nanomaterials and Chemistry Hefei National Laboratory for Physical Sciences at the MicroscaleCAS Center for Excellence in NanoscienceDepartment of ChemistryUniversity of Science and Technology of ChinaHefei 230026China Key Laboratory of Advanced Catalytic Materials and Reaction Engineering School of Chemistry and Chemical EngineeringHefei University of TechnologyHefei 230009China

Owing to the stimulus-responsive and dynamic properties,magnetism-driven assembly of building blocks to form ordered structures is always a marvelous *** abundant magnetic assemblies have been developed in ideal physical and chemical conditions,it remains a challenge to realize magnetic assembly in complicated biological ***,we report a kind of biomacromolecule-modified magnetic nanosheets,which are mainly composed of superparamagnetic graphene oxide(Y-Fe2O3@GO),the tumor-targeting protein transferrin(TF),and the mitochondrion-targeting peptide(MitP).Such large-size nanosheets(0.5-1μm),noted as L-Fe2O3@GO-MitP-TF,can successfully in s itu assemble on the surface of tumor cells in a size-dependent and tumor cell-specific way,leading to severe inhibition of nutrient uptake for the tumor *** significantly,the nanostructures could efficiently confine the tumor cells,preventing both invasion and metastasis of tumor cells both in vitro and in ***,the 2D assemblies could remarkably disrupt the mitochondria and induce apoptosis,remarkably eradicating tumors under near-infrared(NIR)*** study sheds light on the development of new nano-systems for efficient cancer therapy and other biomedical applications.

关键词： magnetic assembly graphene oxide transferrin mitochondrion-targeting peptide metastasis cancer therapy

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Crystal Structure of 1-(N-Dichlorophosphoryl-N-cyclohexyl)-amino-1-dichlorophosphinyl-chloromethane

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Chinese Journal of Structural Chemistry 2004年第8期23卷 886-889页

作者： WUMing-shu CHENRu-yu HUANGYou （InstituteandStateKeyLaboratoryofElemento-organicChemistry NankaiUniversityTianjin300071China

The crystal and molecular structures of 1-(N-dichlorophosphoryl-N-cyclohexyl) amino-1-dichlorophosphinyl-chloromethane have been determined by X-ray diffraction. The crystal (C7H12Cl5NO2P2) is of orthorhombic, space group Pbca with a = 11.104(7), b = 11.290(6), c = 24.403(14) , V = 3059(3) 3, Mr = 381.37, Z = 8, Dc = 1.656 g/cm3, ?= 1.146 mm-1, F(000) = 1536, the final R = 0.0391 and Rw = 0.0778 for 2657 observed reflections with I > 2s(I). The crystallographic results of the title compound show that the N atom is not a conventionally sp3 hybridized tetrahedron but an sp2 hybridized triangular planar nitrogen.

关键词： crystal structure bisphosphonate derivatives synthesis NMR

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Effect of fertigation frequency on soil nitrogen distribution and tomato yield under alternate partial root-zone drip irrigation

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Journal of Integrative Agriculture 2023年第3期22卷 897-907页

作者： FENG Xu-yu PU Jing-xuan LIU Hai-jun WANG dan LIU yu-hang QIAO shu-ting LEI Tao LIU Rong-hao College of Water Resources Science and Engineering Taiyuan University of TechnologyTaiyuan 030024P.R.China College of Water Sciences Beijing Normal UniversityBeijing 100875P.R.China Beijing Key Laboratory of Urban Hydrological Cycle and Sponge City Technology Beijing Normal UniversityBeijing 100875P.R.China Shanxi Province Key Laboratory of Soil Environment and Nutrient Resources Taiyuan 030031P.R.China

Alternate partial root-zone drip fertigation (ADF) is a combination of alternating irrigation and drip fertigation,with the potential to save water and increase nitrogen (N) fertilizer efficiency.A 2-year greenhouse experiment was conducted to evaluate the effect of different fertigation frequencies on the distribution of soil moisture and nutrients and tomato yield under *** treatments included three ADF frequencies with intervals of 3 days (F3),6 days (F6) and 12 days (F12),and conventional drip fertigation as a control (CK),which was fertilized once every 6 *** the ADF treatments,two drip tapes were placed 10 cm away on each side of the tomato row,and alternate drip irrigation was realized using a manual valve on the distribution *** the CK treatment,a drip tape was located close to the roots of the tomato *** total N application rate of all treatments was 180 kg ha^(-1).The total irrigation amounts applied to the CK treatment were450.6 and 446.1 mm in 2019 and 2020,respectively;and the irrigation amounts applied to the ADF treatments were 60%of those of the CK *** F3 treatment resulted in water and N being distributed mainly in the 0–40-cm soil layer with less water and N being distributed in the 40–60-cm soil *** F6 treatment led to 21.0 and 29.0%higher 2-year average concentration of mineral N in the 0–20 and 20–40-cm soil layer,respectively and a 23.0%lower N concentration in the 40–60-cm soil layer than in the CK *** 2-year average tomato yields of the F3,F6,F12,and CK treatments were 107.5,102.6,87.2,and 98.7 t ha^(-1),*** tomato yield of F3 was significantly higher (23.3%) than that in the F12 treatment,whereas there was no significant difference between the F3 and F6 *** F6 treatment resulted in yield similar to the CK treatment,indicating that ADF could maintain tomato yield with a 40%saving in water *** on the distribution of water and N,and tomato yield,a fertigation frequency

关键词： alternate partial root-zone irrigation drip fertigation soil water soil mineral content tomato yield

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A reviving templating method for multiple nanostructures

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Science China Materials 2017年第5期60卷 461-462页

作者： Hui-Hui Li shu-Hong yu Division of Nanomaterials & Chemistry Hefei National Laboratory for Physical Sciences at the Microscale Department of Chemistry University ofScience and Technology of China Hefei 230026 China

Binary materials,comprised by two dissimilar components in one matrix,already exist in nature from the subatomic to the universal scale with different kinds of forms(e.g.,nuclei and electrons,matter and antimatter)[1]... 详细信息

关键词：英语阅读理解材料科学

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Positively selected genes of the Chinese tree shrew （Tupaia belangeri chinensis） locomotion system

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Zoological Research 2014年第3期35卷 240-248页

作者： yu FAN dan-dan yu Yong-Gang YAO Key Laboratory of Animal Models and Human Disease Mechanisms of Chinese Academy of Sciences & yunnan Province Kunming Institute of Zoology Kunming Yunnan 650223 China Kunming College of Life Science University of Chinese Academy of Sciences Kunming Yunnan 650223 China Kunming Primate Research Center Kunming Institute of Zoology Chinese Academy of Sciences Kunming 650223 China

While the recent release of the Chinese tree shrew （Tupaia belangeri chinensis） genome has made the tree shrew an increasingly viable experimental animal model for biomedical research, further study of the genome may facilitate new insights into the applicability of this model. For example, though the tree shrew has a rapid rate of speed and strong jumping ability, there are limited studies on its locomotion ability. In this study we used the available Chinese tree shrew genome information and compared the evolutionary pattern of 407 locomotion system related orthologs among five mammals （human, rhesus monkey, mouse, rat and dog） and the Chinese tree shrew. Our analyses identified 29 genes with significantly high co （Ka/Ks ratio） values and 48 amino acid sites in 14 genes showed significant evidence of positive selection in the Chinese tree shrew. Some of these positively selected genes, e.g. HOXA6 （homeobox A6） and AVP （arginine vasopressin）, play important roles in muscle contraction or skeletal morphogenesis. These results provide important clues in understanding the genetic bases of locomotor adaptation in the Chinese tree shrew.

关键词： Chinese tree shrew Locomotion system Positively selected genes

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A new ent-labdane diterpenoid from Andrographis paniculata

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Chinese Chemical Letters 2010年第9期21卷 1091-1093页

作者： Qiong yu Zou Na Li Chun dan Wen Long Deng shu Lin Peng Li Sheng Ding Chengdu Institute of Biology Chinese Academy of Sciences Chengdu 610041 China College of Materials and Chemistry & Chemical Engineering Chengdu University of Technology Chengdu 610059 China Sichuan Key Laboratory of Quality and Innovation Research of Chinese Materia Medica Sichuan Academy of Chinese Medicine Scieiwes Chengdu 610041 China

A new ent-labdane diterpenoid,19-O-β-D-glucopyranosyl-ent-labda-8（17）,13-dien-15,16,19-triol,together with six known ent-labdane diterpenoids,was isolated from the aerial parts of Andrographis *** structure of the ... 详细信息

关键词： Andrvgraphis paniculata Acanthaceae ent-Labdane diterpenoid

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Stannous-acetylacetonate:A new catalyst for poly(trimethylene terephthalate) synthesis

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Chinese Chemical Letters 2007年第7期18卷 827-830页

作者： shu Yong Jia yu Rong Ren Liang Ming Liu dan Zhang Yi Zeng Gong Ying Wang Chengdu Institute of Organic Chemistry Chinese Academy of Sciences Chengdu 610041 China College of Chemistry Jilin Normal University Siping 136000 China Graduate University of Chinese Academy of Sciences Beijing 100039 China

Stannous-acetylacetonate was prepared efficiently and characterized by ^1H NMR and FT-IR. Its catalytic activity for poly（trimethylene terephthalate）（PTT） synthesis was investigated. By this catalyst, the degree of esterification of pure terephthalic acid was up to 91.7% after reaction at 260 ℃ for 2 h, while the intrinsic viscosity and content of terminal carboxyl groups of the corresponding PTT polymerized at 260 ℃, 60 Pa for 2 h was 0.8816 dL/g and 17 mol/t,respectively. Stannous-acetylacetonate was more active and promising than tetrabutyl titanate and stannous octoate for PTT synthesis.

关键词： Poly(trimethylene terephthalate) Stannous-acetylacetonate 1,3-Propanediol

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