Synthesis, crystal structure, biological activity and theoretical calculations of novel isoxazole derivatives
作者：
Jin, R. Y.* ;Sun, X. H.;Liu, Y. F.;Long, W.;Chen, B.;...
期刊：
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY ,2016年152:226-232 ISSN：1386-1425
通讯作者：
Jin, R. Y.
作者机构：
[Sun, X. H.; Jin, R. Y.; Ma, H. X.] NW Univ Xian, Sch Chem Engn, Xian 710069, Peoples R China.;[Shen, S. Q.; Sun, X. H.] NW Univ Xian, Chem Res Inst, Xian 710069, Peoples R China.;[Liu, Y. F.; Chen, B.] NW Univ Xian, Coll Chem & Mat Sci, Xian 710069, Peoples R China.;[Long, W.] Univ South China, Sch Chem & Chem Engn, Heng Yang 421001, Peoples R China.
通讯机构：
[Jin, R. Y.] N;NW Univ Xian, Sch Chem Engn, Xian 710069, Peoples R China.
关键词：
Synthesis;Isoxazole;Crystal structure;DFT
摘要：
Series of isoxazole derivatives were synthesized by substituted chalcones and 2-chloro-6-fluorobenzene formaldehyde oxime with 1,3-dipolar cycloaddition. The target compounds were determined by melting point, IR, H-1 NMR, elemental analyses and HRMS. The crystal structure of compound 3a was detected by X-ray diffraction and it crystallizes in the triclinic space group p2(1)/c with z = 4. The molecular geometry of compound 3a was optimized using density functional theory (DFT/B3LYP) method with the 6-31G+(d,p) basis set in the ground state. From the optimized geometry of the molecule, FT-IR, FT-Raman, HOMO-LUMO and natural bond orbital (NBO) were calculated at B3LYP/6-31G+(d,p) level. Finally, the antifungal activity of the synthetic compounds were evaluated against Pythium solani, Gibberella nicotiancola, Fusarium oxysporium f.sp. niveum and Gibberella saubinetii. (C) 2015 Elsevier B.V. All rights reserved.
语种：
英文
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A Co2+-selective and chirality-sensitive supermolecular metallohydrogel with a nanofiber network skeleton
作者：
Wang, Xiaojuan;He, Ting;Yang, Lan;Wu, Huiqiong;Zhang, Rui;...
期刊：
Nanoscale ,2016年8(12):6479-6483 ISSN：2040-3364
通讯作者：
Zhang, Yi;Wei, Chuanwan
作者机构：
[Wu, Huiqiong; Shen, Rujuan; He, Ting; Zhang, Zhenzhu; Zhang, Yi; Wang, Xiaojuan; Zhang, Rui; Yang, Lan; Xiang, Juan] Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China.;[Wei, Chuanwan; Wang, Xiaojuan] Univ South China, Coll Chem & Chem Engn, Hengyang 421000, Peoples R China.;[Shen, Rujuan] Cent S Univ, State Key Lab Powder Met, Changsha 410083, Hunan, Peoples R China.
通讯机构：
[Zhang, Yi] C;[Wei, Chuanwan] U;Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China.;Univ South China, Coll Chem & Chem Engn, Hengyang 421000, Peoples R China.
摘要：
This paper introduces a new metallohydrogel precursor that offers a peculiar gelation response to Co<sup>2+</sup>at pH 7-8. It is notable that the stability of this metallohydrogel is significantly dependent on its enantiomeric purity. In addition to the expected multi-stimuli responsive properties, including thixotropy, as well as re-assembly properties on adding HCl, this metallohydrogel possesses excellent self-healing behavior, which is uncommon in low-molecular-weight gelators. Electron microscopy (EM) studies revealed that the cryodried remains of this gel presented as well an organized three dimensional (3D) network of fibrils. This interesting metallohydrogel shows potential for developing new soft materials with drug delivery and catalysis properties. ©The Royal Society of Chemistry 2016.
语种：
英文
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双效功能型复合光催化剂Ag /TiO_2 /AC的制备及光催化活性
作者：
阳鹏飞;孙允凯;柯国军
期刊：
精细化工 ,2016年33(12):1393-1397 ISSN：1003-5214
作者机构：
[孙允凯; 阳鹏飞] School of Chemistry and Chemical Engineering, University of South China, Hengyang, Hunan, 421001, China;[柯国军] School of Civil Engineering, University of South China, Hengyang, Hunan, 421001, China
关键词：
复合光催化剂;银;二氧化钛;活性炭;光催化降解;水处理技术与环境保护
摘要：
以硝酸银、四氯化钛及活性炭为原料,采用溶胶-凝胶法和浸渍法制备了3种复合光催化剂。通过TEM、 XRD、BET和UV-Vis光谱对复合光催化剂的形貌、物相组成、比表面积和吸光性能进行了表征,并以甲基橙的脱色降解为模型反应,考察了样品的光催化性能。结果表明:其光催化活性大小顺序为Ag /TiO_2 /AC > Ag /TiO_2 > TiO_2,其中,Ag /TiO_2 /AC由于具有895.21 m~2 /g的比表面积和Ag的负载改性而具有吸附、光催化双效功能,且对光的吸收扩展到可见光区,对甲基橙的最大降解率能达到95.2%。催化剂连续重复使用5次,Ag /TiO_2 /AC对甲基橙溶液的脱色降解率均保持在90%以上。
语种：
中文
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A New Reforming Reaction Mechanism of Carbon Dioxide with Methane on Nano Scale Nickel catalyst
作者：
Long, Wei* ;Yan, Xue-Ming;Yang, Xing-Yue;Hu, Nian
期刊：
MATEC Web of Conferences ,2016年67:1618-1623 ISSN：2261-236X
通讯作者：
Long, Wei
作者机构：
[Yan, Xue-Ming; Hu, Nian; Long, Wei; Yang, Xing-Yue] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
通讯机构：
[Long, Wei] U;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
会议名称：
2016 International Symposium on Materials Application and Engineering (SMAE 2016)
会议时间：
2016-01-01
会议地点：
Chiang Mai, Thailand
会议主办单位：
[Long, Wei;Yan, Xue-Ming;Yang, Xing-Yue;Hu, Nian] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
会议论文集名称：
MATEC Web of Conferences
摘要：
The reforming mechanism of CO2-CH4 on Nano scale Ni metal catalyst was investigated using the B3LYP density functional method and MP2/Lanl2 dz method. It was found that the reaction include thirteen
语种：
英文
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Adsorption characteristics, recognition properties, and preliminary application of nordihydroguaiaretic acid molecularly imprinted polymers prepared by sol–gel surface imprinting technology
作者：
Liao, Sen;Zhang, Wen;Long, Wei;Hou, Dan;Yang, Xuechun;...
期刊：
Applied Surface Science ,2016年364:579-588 ISSN：0169-4332
通讯作者：
Tan, Ni
作者机构：
[Yang, Xuechun; Liao, Sen; Long, Wei; Tan, Ni; Hou, Dan; Zhang, Wen] Univ South China, Sch Chem & Chem Engn, 28 Changsheng Rd West, Hengyang 421001, Hunan, Peoples R China.
通讯机构：
[Tan, Ni] U;Univ South China, Sch Chem & Chem Engn, 28 Changsheng Rd West, Hengyang 421001, Hunan, Peoples R China.
关键词：
Ephedra;Nordihydroguaiaretic acid;Selectivity recognition;Sol-gel;Surface molecularly imprinted polymers
摘要：
In this paper, a new core-shell composite of nordihydroguaiaretic acid (NDGA) molecularly imprinted polymers layer-coated silica gel (MIP@SiO<inf>2</inf>) was prepared through sol-gel technique and applied as a material for extraction of NDGA from Ephedra. It was synthesized using NDGA as the template molecule, γ-aminopropyltriethoxysilane (APTS) and methyltriethoxysilane (MTEOS) as the functional monomers, tetraethyl orthosilicate (TEOS) as the cross-linker and ethanol as the porogenic solvent in the surface of silica. The non-imprinted polymers layer-coated silica gel (NIP@SiO<inf>2</inf>) were prepared with the same procedure, but with the absence of template molecule. In addition, the optimum adsorption affinity occurred when the molar ratio of NDGA:APTS:MTEOS:TEOS was 1:6:2:80. The prepared MIP@SiO<inf>2</inf>and NIP@SiO<inf>2</inf>were analyzed by scanning electron microscopy (SEM), thermogravimetric analysis (TGA), and Fourier transform-infrared spectroscopy (FT-IR). Their affinity properties to NDGA were evaluated through dynamic adsorption, static adsorption, and selective recognition experiments, and the results showed the saturated adsorption capacity of MIP@SiO<inf>2</inf>could reach to 5.90 mg g<sup>-1</sup>, which was two times more than that of NIP@SiO<inf>2</inf>. High performance liquid chromatography (HPLC) was used to evaluate the extraction of NDGA from the medicinal plant ephedra by the above prepared materials, and the results indicated that the MIP@SiO<inf>2</inf>had potential application in separation of the natural active component NDGA from medicinal plants. ©2015 Elsevier B.V. All rights reserved.
语种：
英文
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β-Cyclodextrin modified graphitic carbon nitride for the removal of pollutants from aqueous solution: Experimental and theoretical calculation study
作者：
Zou, Yidong;Wang, Xiangxue;Ai, Yuejie* ;Liu, Yunhai;Ji, Yongfei;...
期刊：
Journal of Materials Chemistry A ,2016年4(37):14170-14179 ISSN：2050-7488
通讯作者：
Ai, Yuejie;Wang, Xiangke;Hu, Wenping
作者机构：
[Wang, Xiangke; Wang, Xiangxue; Ai, Yuejie; Ai, YJ; Wang, XK; Zou, Yidong] North China Elect Power Univ, Sch Environm & Chem Engn, Beijing 102206, Peoples R China.;[Liu, Yunhai; Zou, Yidong] East China Inst Technol, Sch Chem Biol & Mat Sci, Nanchang 330013, Peoples R China.;[Wang, Xiangxue] Soochow Univ, Sch Radiol & Interdisciplinary Sci, Collaborat Innovat Ctr Radiat Med Jiangsu Higher, Suzhou 215123, Peoples R China.;[Wang, Xiangke; Ji, Yongfei] Royal Inst Technol, Sch Biotechnol, Theoret Chem & Biol, Roslagstullsbacken 15, S-10691 Stockholm, Sweden.;[Wang, Xiangke; Wang, Hongqing] Univ South China, Sch Chem & Chem Engn, 28 Changsheng West Rd, Hengyang 421001, Hunan, Peoples R China.
通讯机构：
[Ai, YJ; Wang, XK] N;[Wang, Xiangke] R;[Wang, Xiangke] U;[Hu, Wenping] C;North China Elect Power Univ, Sch Environm & Chem Engn, Beijing 102206, Peoples R China.
摘要：
A novel β-cyclodextrin modified, multifunctional, layer-by-layer graphitic carbon nitride (g-C3N4/β-CD) was successfully synthesized and applied as an effective adsorbent for the removal of methyl orange (MO) and Pb(ii) from aqueous solutions under various environmental conditions (e.g., solution pH, solid content, contact time and temperature). The kinetic results indicated that the adsorption was dominated by chemisorption, and the higher adsorption capacity of g-C3N4/β-CD was attributed to it having more oxygen-containing functional groups than g-C3N4. The Langmuir, Freundlich and Sips models were applied to simulate the adsorption isotherms of MO and Pb(ii), and the results demonstrated that the adsorption of MO was attributed to multilayer adsorption, while the coverage adsorption of Pb(ii) on the g-C3N4/β-CD was monolayer adsorption. The thermodynamic parameters showed that the adsorption of both MO and Pb(ii) was spontaneous and endothermic. The DFT calculations further evidenced the surface complexation and electrostatic interaction of Pb(ii) on the g-C3N4 and g-C3N4/β-CD, whereas, the interaction of MO with g-C3N4 and g-C3N4/β-CD was mainly attributed to hydrogen bonds and strong π-π interactions. The results demonstrated that g-C3N4/β-CD is a promising material for the efficient removal of organic and inorganic pollutants in environmental pollution remediation. © 2016 The Royal Society of Chemistry.
语种：
英文
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A Co2+-selective and chirality-sensitive supermolecular metallohydrogel with a nanofiber network skeleton (vol 8, pg 6479, 2016)
作者：
Wang, Xiaojuan;He, Ting;Yang, Lan;Wu, Huiqiong;Zhang, Rui;...
期刊：
Nanoscale ,2016年8(15):8390 ISSN：2040-3364
通讯作者：
Zhang, Yi;Wei, Chuanwan
作者机构：
[Wu, Huiqiong; Shen, Rujuan; He, Ting; Zhang, Zhenzhu; Zhang, Yi; Wang, Xiaojuan; Zhang, Rui; Yang, Lan; Xiang, Juan] Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China.;[Wei, Chuanwan; Wang, Xiaojuan] Univ South China, Coll Chem & Chem Engn, Hengyang 421000, Peoples R China.;[Shen, Rujuan] Cent S Univ, State Key Lab Powder Met, Changsha 410083, Hunan, Peoples R China.
通讯机构：
[Zhang, Yi] C;[Wei, Chuanwan] U;Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China.;Univ South China, Coll Chem & Chem Engn, Hengyang 421000, Peoples R China.
摘要：
Correction for 'A Co(2+)-selective and chirality-sensitive supermolecular metallohydrogel with a nanofiber network skeleton' by Xiaojuan Wang et al., Nanoscale, 2016, DOI: 10.1039/c6nr00822d.
语种：
英文
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Peroxidase activity enhancement of myoglobin by two cooperative distal histidines and a channel to the heme pocket
作者：
Wu, Lei-Bin;Du, Ke-Jie;Nie, Chang-Ming;Gao, Shu-Qin;Wen, Ge-Bo;...
期刊：
Journal of Molecular Catalysis B: Enzymatic ,2016年134:367-371 ISSN：1381-1177
通讯作者：
Lin, Ying-Wu
作者机构：
[Nie, Chang-Ming; Wu, Lei-Bin; Lin, Ying-Wu; Du, Ke-Jie] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;[Gao, Shu-Qin; Wen, Ge-Bo; Lin, Ying-Wu] Univ South China, Lab Prot Struct & Funct, Hengyang 421001, Peoples R China.;[Tan, Xiangshi] Fudan Univ, Dept Chem, Shanghai Key Lab Chem Biol Prot Res, Shanghai 200433, Peoples R China.;[Tan, Xiangshi] Fudan Univ, Inst Biomed Sci, Shanghai 200433, Peoples R China.
通讯机构：
[Lin, Ying-Wu] U;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;Univ South China, Lab Prot Struct & Funct, Hengyang 421001, Peoples R China.
会议名称：
8th Meeting on OxiZymes
会议时间：
JUL 03-06, 2016
会议地点：
Wageningen, NETHERLANDS
会议主办单位：
[Wu, Lei-Bin;Du, Ke-Jie;Nie, Chang-Ming;Lin, Ying-Wu] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.^[Gao, Shu-Qin;Wen, Ge-Bo;Lin, Ying-Wu] Univ South China, Lab Prot Struct & Funct, Hengyang 421001, Peoples R China.^[Tan, Xiangshi] Fudan Univ, Dept Chem, Shanghai Key Lab Chem Biol Prot Res, Shanghai 200433, Peoples R China.^[Tan, Xiangshi] Fudan Univ, Inst Biomed Sci, Shanghai 200433, Peoples R China.
关键词：
Heme proteins;Peroxidase;Protein design;Cooperativity;Channel
摘要：
To reveal the structure-function relationship of heme proteins, and to provide clues for creating artificial heme proteins with improved functions, we here use myoglobin (Mb) as a model protein, and report that its peroxidase activity can be enhanced by construction of two distal histidines and a channel to the heme pocket. It showed that in addition to a single distal histidine with a suitable distance to the heme iron (Phe43 to His43 mutation), a second distal histidine (Leu29 to His29 mutation) can work cooperatively to increase the turnover number, mimicking the role of well-known His-Arg pair in native peroxidases. Moreover, a channel created to the heme pocket by removal of the native His64 gate (His64 to A1a64 mutation) was shown to facilitate the binding of substrate, resulting in enhanced catalytic efficiency for the triple mutant L29H/F43H/H64A Mb, which is beyond the addition of both double mutants, L29H/H64A Mb and F43 H/H64A Mb. These results provide valuable information for elucidating the structure-function relationship of heme proteins. In addition, this study provides clues for design of artificial heme proteins, and the strategy of creating a channel to the heme active center is expected be extended to design of other artificial enzymes with improved catalytic performance. (C) 2016 Elsevier B.V. All rights reserved.
语种：
英文
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Pb2+-specific metallohydrogel based on tryptophan-derivatives: preparation, characterization, multi-stimuli responsiveness and potential applications in wastewater and soil treatment
作者：
Wang, Xiaojuan;Wei, Chuanwan;He, Ting;Yang, Lan;Wu, Huiqiong;...
期刊：
RSC Advances ,2016年6(84):81341-81345 ISSN：2046-2069
通讯作者：
Zhang, Yi
作者机构：
[Wu, Huiqiong; Shen, Rujuan; Yin, Jiafu; He, Ting; Zhang, Yi; Wang, Xiaojuan; Yang, Lan; Xiang, Juan] Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China.;[Shen, Rujuan] Cent S Univ, State Key Lab Powder Met, Changsha 410083, Hunan, Peoples R China.;[Wei, Chuanwan; Wang, Xiaojuan] Univ South China, Coll Chem & Chem Engn, Hengyang 421001, Peoples R China.
通讯机构：
[Zhang, Yi] C;Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China.
摘要：
A novel Pb<sup>2+</sup>-specific metallohydrogel HAIP-Pb was synthesized. HAIP-Pb possesses multi-stimuli responsiveness, including to pH, temperature, etc. Various measurements were performed to gain insights into the mechanism of gelation. The HAIP gelator can gel Pb<sup>2+</sup>and simultaneously adsorb toxic dyes. Intriguingly, HAIP can cause gelation of soil containing Pb<sup>2+</sup>ions. ©2016 The Royal Society of Chemistry.
语种：
英文
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Interaction mechanism of radionickel on Na-montmorillonite: Influences of pH, electrolyte cations, humic acid and temperature
作者：
Yu, Shujun;Wang, Xiangxue;Chen, Zhongshan;Tan, Xiaoli* ;Wang, Hongqing;...
期刊：
Chemical Engineering Journal ,2016年302:77-85 ISSN：1385-8947
通讯作者：
Tan, Xiaoli;Guo, Wei;Wang, Xiangke
作者机构：
[Tan, Xiaoli; Wang, Xiangke; Hu, Jun; Tan, XL; Guo, Wei; Wang, XK; Wang, Xiangxue; Chen, Zhongshan; Yu, Shujun] North China Elect Power Univ, Sch Environm & Chem Engn, Beijing 102206, Peoples R China.;[Tan, Xiaoli; Wang, Xiangxue; Yu, Shujun] Chinese Acad Sci, Inst Plasma Phys, POB 1126, Hefei 230031, Peoples R China.;[Wang, Xiangke; Wang, Hongqing] Univ South China, Sch Chem & Chem Engn, 28 Changsheng West Rd, Hengyang 421001, Hunan, Peoples R China.;[Wang, Xiangke; Hu, Jun; Alsaedi, Ahmed] King Abdulaziz Univ, NAAM Res Grp, Fac Sci, Jeddah 21589, Saudi Arabia.;[Alharbi, Njud S.] King Abdulaziz Univ, Dept Biol Sci, Biotechnol Res Grp, Fac Sci, Jeddah, Saudi Arabia.
通讯机构：
[Tan, XL; Guo, W; Wang, XK] N;North China Elect Power Univ, Sch Environm & Chem Engn, Beijing 102206, Peoples R China.
关键词：
Desorption;Mechanism;Na-montmorillonite;Radionickel;Sorption
摘要：
Understanding the rate and extent of 63Ni(II) sorption and desorption on/from mineral surfaces are important to predict its mobility performance in the natural environment. We herein systematically investigated the effects of pH, electrolyte cations, humic acid (HA) and temperature on 63Ni(II) sorption/desorption on/from Na-montmorillonite. The results indicated that the sorption/desorption of 63Ni(II) on/from Na-montmorillonite were strongly dependent on pH and electrolyte cations. Desorption abilities of 63Ni(II) were Na+ ≈ K+ > Ca2+ ≈ Mg2+ at the cationic concentration of 0.2 mol/L, which was associated with the clay tactoid size. The kinetic results suggested that 63Ni(II) sorption/desorption initially increased rapidly and remained constant as time increasing. The presence of HA influenced 63Ni(II) sorption clearly and promoted 63Ni(II) desorption as a result of the dissolution of ternary surface complexes. Increasing temperature was favorable for the sorption reaction owing to the formation of strong inner-sphere complexes, however, hampered the desorption reaction because of the increased stability of inner-sphere complexes or the aggregation of montmorillonite. The results are crucial to understand the physicochemical behavior of radionickel in the natural environment. © 2016 Elsevier B.V.
语种：
英文
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Theoretical studies on the AnO2n+ (An = U, Np; N = 1, 2) complexes with di-(2-ethylhexyl)phosphoric acid
作者：
Luo, Juan;Wang, Cong-Zhi;Lan, Jian-Hui;Wu, Qun-Yan;Zhao, Yu-Liang;...
期刊：
DALTON TRANSACTIONS ,2015年44(7):3227-3236 ISSN：1477-9226
通讯作者：
Shi, Wei-Qun
作者机构：
[Wu, Qun-Yan; Zhao, Yu-Liang; Luo, Juan; Chai, Zhi-Fang; Wang, Cong-Zhi; Lan, Jian-Hui; Shi, Wei-Qun] Chinese Acad Sci, Inst High Energy Phys, Key Lab Nucl Radiat & Nucl Energy Technol, Grp Nucl Energy Chem, Beijing 100049, Peoples R China.;[Wu, Qun-Yan; Zhao, Yu-Liang; Luo, Juan; Chai, Zhi-Fang; Wang, Cong-Zhi; Lan, Jian-Hui; Shi, Wei-Qun] Chinese Acad Sci, Inst High Energy Phys, Key Lab Biomed Effects Nanomat & Nanosafety, Beijing 100049, Peoples R China.;[Chai, Zhi-Fang] Soochow Univ, Sch Radiol & Interdisciplinary Sci RAD X, Suzhou 215123, Peoples R China.;[Chai, Zhi-Fang] Soochow Univ, Jiangsu Higher Educ Inst, Collaborat Innovat Ctr Radiat Med, Suzhou 215123, Peoples R China.;[Nie, Chang-Ming] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
通讯机构：
[Shi, Wei-Qun] C;Chinese Acad Sci, Inst High Energy Phys, Key Lab Nucl Radiat & Nucl Energy Technol, Grp Nucl Energy Chem, Beijing 100049, Peoples R China.
摘要：
Actinide separation in spent nuclear fuel reprocessing is essential for the closed nuclear fuel cycle. Organophosphorus reagents have been found to exhibit strong affinities for actinides in experiments. In this work, the extraction complexes of AnO2n+ (An = U, Np; n = 1, 2) with the traditional organophosphorus ligand HDEHP (di-(2-ethylhexyl)phosphoric acid) have been investigated using density functional theory together with scalar-relativistic effective core potentials (ECPs) for actinide elements. According to our calculations, the HDEHP dimer prefers to act as a bidentate ligand in most of the studied complexes. HDEHP ligands show a higher extraction ability for An(vi) over An(v), and the formation of Np(vi) complexes is slightly more favorable than those of U(vi) analogues, which is mainly attributed to the stronger donor-acceptor interaction in Np(vi) complexes. The intramolecular hydrogen bonds play a significant role in the stability of the 1-1 type complexes AnO2(HL)2(NO3)2 (L = DEHP-). Moreover, AnO2(HL)2(NO3)2 are the most stable species in nitrate-rich acid solutions, while at low nitric acid concentrations, the complexing reaction of AnO2(H2O)52+ + 2(HL)2 → AnO2(HL2)2 + 2H+ + 5H2O is probably the dominant reaction in the extraction process. Our results can help to understand the speciation of actinyl complexes in real solvent extraction of actinides with HDEHP at the molecular level. This journal is © The Royal Society of Chemistry.
语种：
英文
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功能化炭基磁性介孔材料的制备及其对铀的吸附性能
作者：
彭国文;肖方竹;孙世雄;张志军;胡南;...
期刊：
原子能科学技术 ,2015年49(12):2138-2144 ISSN：1000-6931
作者机构：
[王晓亮; 彭国文] School of Chemistry and Chemical Engineering, University of South China, Hengyang, China;[孙世雄] Qinghai Jinrui Mining Development Co., Ltd., Xining, China;[肖方竹; 丁德馨; 彭国文; 胡南; 张志军] Key Discipline Laboratory for National Defence for Biotechnology in Uranium Mining and Hydrometallurgy, University of South China, Hengyang, China
关键词：
炭基磁性介孔材料;功能化;铀;吸附性能;再生性能
摘要：
以介孔氧化硅SBA-15为模板,通过纳米浇筑法在模板孔道中引入不同质量的铁源和炭源作为前驱物,经过原位聚合反应,再使用[3-(三甲氧基硅烷)丙基]脲(UPTS)和氨丙基三乙氧基硅烷(APS)有机试剂对其表面进行后嫁接改性,得到介孔结构规整有序的功能化炭基磁性介孔材料(FCMMC)。并通过红外光谱(FT-IR)、N_2吸附-脱附分别表征了FCMMC的结构。考察了溶液pH值、铀初始浓度、吸附剂用量和吸附时间等因素对FCMMC吸附铀的影响。结果表明:炭基和铁基均被负载在介孔氧化硅基体上,FCMMC具有较高的比表面积和较窄的孔径分布。FCMMC吸附铀的最佳条件为:pH=6.0、铀初始浓度25mg/L、FCMMC用量40mg、吸附时间1.0h。对吸附动力学模型和吸附等温模型进行了分析,FCMMC对铀的吸附动力学过程符合准二级动力学模型,吸附等温线符合Langmuir等温线模型,最大理论吸附量为128.69mg/g。同时,使用3种不同的解吸剂对FCMMC解吸再生8次后,其对铀的吸附率均在80%以上,说明FCMMC具有良好的再生性能。
语种：
中文
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新型功能化吸附剂G-PA-SBA-15对U(VI)的吸附机理
作者：
彭国文;肖方竹;丁德馨;张志军;胡南;...
期刊：
中国有色金属学报 ,2015年25(11):3237-3244 ISSN：1004-0609
通讯作者：
Peng, Guo-Wen(pgwnh@sohu.com)
作者机构：
[王晓亮; 彭国文] School of Chemistry and Chemical Engineering, University of South China, Hengyang, China;[杨锦然; 黄红; 周归] Wang Chuanshan College, University of South China, Hengyang, China;[彭国文] School of Resources and Safety Engineering, Central South University, Changsha, China;[胡南; 肖方竹; 彭国文; 丁德馨; 张志军] Key Discipline Laboratory for National Defence for Biotechnology in Uranium Mining and Hydrometallurgy, University of South China, Hengyang, China
通讯机构：
School of Chemistry and Chemical Engineering, University of South China, Hengyang, China
关键词：
介孔氧化硅SBA-15;功能化改性;铀;吸附动力学;吸附等温线
摘要：
采用啤酒酵母菌为生物大孔模板,三嵌段聚合物(P123)为介孔相模板制备合成介孔氧化硅SBA-15。再采用Fe_3O_4为铁源,二乙基磷酰乙基三乙氧基硅烷(PTS)和氨丙基三乙氧基硅烷(APS)为有机改性基团,通过后嫁接法使有机改性基团对介孔氧化硅SBA-15进行功能化改性,得到新型功能化吸附剂G-PA-SBA-15,并通过扫描电镜、粉末X射线衍射和比表面分析仪分别表征吸附剂G-PA-SBA-15和SBA-15的结构。考察溶液pH值、吸附时间、铀初始浓度和温度等因素对吸附剂G-PA-SBA-15和SBA-15吸附铀的影响。结果表明:吸附剂G-PA-SBA-15直径均匀分布、孔径均一,吸附铀的最佳条件是pH值为6.0、吸附时间为1.0 h、铀初始浓度为20 mg/L和吸附反应温度为25 ℃。对吸附动力学模型和吸附等温模型进行分析,G-PA-SBA-15对铀的吸附动力学过程符合准二级动力学模型(相关系数R~2均大于0.99), 吸附等温线符合BET等温线模型,说明该吸附体系是一个多层吸附过程。
语种：
中文
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Determination of dimetridazole using carbon paste electrode modified with aluminum doped surface molecularly imprinted siloxane
作者：
Hu, Canhui;Deng, Jian* ;Xiao, Xilin;Zhan, Xiaozhu;Huang, Kaihui;...
期刊：
Electrochimica Acta ,2015年158:298-305 ISSN：0013-4686
通讯作者：
Deng, Jian
作者机构：
[Huang, Kaihui; Xiao, Ni; Hu, Canhui; Xiao, Xilin; Deng, Jian; Ju, Saiqin] Univ South China, Coll Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.;[Zhan, Xiaozhu] Sanming Supervis & Testing Ctr Qual & Safety Agro, Fujian 365000, Peoples R China.
通讯机构：
[Deng, Jian] U;Univ South China, Coll Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
关键词：
dimetridazole;aluminum doping;surface molecularly imprinted siloxane;carbon paste electrode;differential pulse stripping voltammetry
摘要：
For the first time, a simple and highly sensitive electrochemical dimetridazole (DMZ) sensor based on a carbon paste electrode modified with core-shell aluminum doped surface molecularly imprinted siloxane has been developed and tested. Because of aluminum doping, the surface imprinting sensor exhibits higher rebinding capacity, recognition ability and affinity for DMZ in comparison with the aluminum free and the non-imprinted ones. In addition, the as-prepared sensor shows good stability and satisfactory reproducibility for the determination of DMZ. Under optimal experimental conditions, the peak currents by differential pulse stripping voltammetry were found to vary linearly with DMZ concentrations in the range from 1.0 × 10−8 to 1.0 × 10−6 mol L−1 and 1.0 × 10−6 to 1.0 × 10−4 mol L−1, with a detection limit of 3.6 × 10−9 mol L−1. This sensor was successfully employed to detect DMZ in egg, milk powder, and pig feed samples with acceptable recoveries of 91.4% to 107.6%, which was verified by high performance liquid chromatography.
语种：
英文
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Improving the specific capacitance of Ni(OH)2 -based supercapacitors by tailoring its porous structures and particle size
作者：
Liang, Runfen;Wang, Guoping* ;Huang, Xiaobing;Zhu, Liwei;Li, Shiwei;...
期刊：
Materials Letters ,2015年158(Nov.1):128-131 ISSN：0167-577X
通讯作者：
Wang, Guoping
作者机构：
[Yan, Yunhai; Zhu, Liwei; Liang, Runfen; Wang, Guoping; Li, Shiwei] Univ South China, Coll Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.;[Huang, Xiaobing] Hunan Univ Arts & Sci, Coll Chem & Chem Engn, Changde 415000, Peoples R China.;[Zhong, Benhe] Sichuan Univ, Coll Chem Engn, Chengdu 610064, Peoples R China.
通讯机构：
[Wang, Guoping] U;Univ South China, Coll Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
关键词：
Porous materials;Poly(acrylamide);Ni(OH)(2)-based electrode;Microstructure
摘要：
Ni(OH)(2) samples were synthesized by hydrothermal process, accompanied with poly(acrylamide) (PAM) or cetyltrimethylammonium bromide (CTMAB) as structure-directing reagents. Under the effects of PAM and CTMAB, both of the Ni(OH)(2) samples show wider pore size distribution, especially more mesopores. Besides, Ni(OH)(2)-PAM presents fluffy wadding, and Ni(OH)(2)-CTMAB looks like pompon sphere. The Ni(OH)(2)-PAM and Ni(OH)(2)-CTMAB based electrodes have a specific capacitance of 1200 and 757 F g(-1), respectively at the discharge current density of 1 A g(-1), much higher than that of Ni(OH)(2) with no structure-directing reagent (only 113 F g(-1)). Therefore, appropriate structure-directing reagents are necessary to improve the electrochemical performance of electrode materials. (C) 2015 Elsevier B.V. All rights reserved.
语种：
英文
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聚多联苯2,6-二甲酰对苯二胺的力学性能模拟
作者：
Zhao Yao;Wu Hongmei* ;Huang Huijun;Wang Yuan;Wang Meng;...
期刊：
高等学校化学学报 ,2015年36(7):1416-1421 ISSN：0251-0790
通讯作者：
Wu Hongmei
作者机构：
[Wu Hongmei; Wang Meng; Zhao Yao; Wang Yuan; Ding Yong; Huang Huijun] Univ South China, Dept Polymer Sci & Engn, Coll Chem & Chem Engn, Hengyang 421001, Peoples R China.
通讯机构：
[Wu Hongmei] U;Univ South China, Dept Polymer Sci & Engn, Coll Chem & Chem Engn, Hengyang 421001, Peoples R China.
关键词：
拉胀聚合物;聚多联苯2,6-二甲酰对苯二胺;力学性能;计算机模拟;负泊松比
摘要：
设计了一类线型聚多联苯2,6-二甲酰对苯二胺聚合物,并对聚合物分子模型进行了计算机模拟,通过分子力学和力学性质模块的计算得到了聚多联苯2,6-二甲酰对苯二胺的一些力学参数.模拟结果表明,聚多联苯2,6-二甲酰对苯二胺类型芳酰胺聚合物通过自组装可以呈现类倒插蜂窝结构排列,除聚二联苯2, 6-二甲酰对苯二胺和聚三联苯2,6-二甲酰对苯二胺以外,该系列聚合物在xy平面内均具有负泊松比.
语种：
中文
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Highly sensitive and selective determination of melamine in milk using glassy carbon electrode modified with molecularly imprinted copolymer
作者：
Deng, Jian* ;Ju, Saiqin;Liu, Yating;Xiao, Ni;Xie, Jin;...
期刊：
Food Analytical Methods ,2015年8(10):2437-2446 ISSN：1936-9751
通讯作者：
Deng, Jian
作者机构：
[Xiao, Ni; Zhao, Haiqing; Deng, Jian; Ju, Saiqin; Xie, Jin] Univ South China, Coll Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.;[Liu, Yating] Jiangxi Jingde PVMTech Co Ltd, Jingdezhen 333000, Jiangxi, Peoples R China.
通讯机构：
[Deng, Jian] U;Univ South China, Coll Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
关键词：
Electropolymerization;Gallic acid;Melamine;Molecularly imprinted polymer;o-Phenylenediamine;Square wave voltammetry
摘要：
A novel electrochemical sensor was constructed for highly sensitive and selective determination of melamine by depositing a molecularly imprinted copolymer film, prepared by electrocopolymerization of gallic acid and o-phenylenediamine from aqueous electrolyte solution, onto glassy carbon electrode surface. The morphologic feature of the modified electrode was characterized via cyclic voltammetry, electrochemical impedance spectrometry, and scanning electron microscopy. The interactions between the molecularly imprinted copolymer and melamine cause the decrease in the peak currents of hexacyanoferrate, which could be used for electrochemical sensing of melamine. In this study, square wave voltammetry was selected as transducing mechanism. Several important parameters controlling the performance of the molecularly imprinted polymer (MIP) electrode were investigated and optimized. In the optimal conditions, the sensor response was sensitive to melamine from 5.0 to 100.0 nmol L<sup>−1</sup>with good selectivity. The limit of detection based on a signal to noise ratio of 3 was low up to 1.4 nmol L<sup>−1</sup>. The method was applied successfully to determine melamine in milk products with satisfactory precision (2.11~3.38 % of relative standard deviation (RSD)) and acceptable recoveries (96.6~106.4 %), demonstrating a promising feature for applying the MIP sensor to trace detection of melamine in milk and other related products. [Figure not available: see fulltext.] ©2015, Springer Science+Business Media New York.
语种：
英文
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Rational design of heterodimeric protein using domain swapping for myoglobin
作者：
Lin, Ying-Wu;Nagao, Satoshi;Zhang, Mohan;Shomura, Yasuhito;Higuchi, Yoshiki;...
期刊：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION ,2015年54(2):511-515 ISSN：1433-7851
通讯作者：
Hirota, Shun
作者机构：
[Hirota, Shun; Nagao, Satoshi; Lin, Ying-Wu; Zhang, Mohan] Nara Inst Sci & Technol, Grad Sch Mat Sci, Ikoma, Nara 6300192, Japan.;[Lin, Ying-Wu] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;[Higuchi, Yoshiki; Shomura, Yasuhito] Univ Hyogo, Grad Sch Life Sci, Dept Life Sci, Kakogawa, Hyogo 6781297, Japan.;[Higuchi, Yoshiki; Shomura, Yasuhito] RIKEN SPring 8 Ctr, Sayo, Hyogo 6795148, Japan.;[Hirota, Shun] Nara Inst Sci & Technol, Grad Sch Mat Sci, 8916-5 Takayama, Ikoma, Nara 6300192, Japan.
通讯机构：
[Hirota, Shun] N;Nara Inst Sci & Technol, Grad Sch Mat Sci, 8916-5 Takayama, Ikoma, Nara 6300192, Japan.
关键词：
dimerization;heme coordination;heme proteins;salt bridges;X-ray crystallography
摘要：
Protein design is a useful method to create novel artificial proteins. A rational approach to design a heterodimeric protein using domain swapping for horse myoglobin (Mb) was developed. As confirmed by X-ray crystallographic analysis, a heterodimeric Mb with two different active sites was produced efficiently from two surface mutants of Mb, in which the charges of two amino acids involved in the dimer salt bridges were reversed in each mutant individually, with the active site of one mutant modified. This study shows that the method of constructing heterodimeric Mb with domain swapping is useful for designing artificial multiheme proteins. © 2015 Wiley-VCH Verlag GmbH & Co. KGaA.
语种：
英文
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Resonance light scattering detection of fructose bisphosphates using uranyl-salophen complex-modified gold nanoparticles as optical probe
作者：
Li, Shijun;Liao, Lifu* ;Wu, Rurong;Yang, Yanyan;Xu, Li;...
期刊：
Analytical and Bioanalytical Chemistry ,2015年407(29):8911-8918 ISSN：1618-2642
通讯作者：
Liao, Lifu
作者机构：
[Wu, Rurong; Xu, Li; Yang, Yanyan; Li, Shijun; Xiao, Xilin; Liao, Lifu; Nie, Changming] Univ South China, Coll Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
通讯机构：
[Liao, Lifu] U;Univ South China, Coll Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
关键词：
Fructose bisphosphates;Resonance light scattering;Uranyl;Salophen;Gold nanoparticles
摘要：
In this paper, we report a resonance light scattering (RLS) method for the determination of fructose bisphosphates (FBPs) in water solution using fructose 1,6-bisphosphate (F-1,6-BP) as a model analyte without the procedure of extracting target analyte. The method used a type of modified gold nanoparticles (GNPs) as optical probe. The modified GNPs are uranyl-salophen-cysteamine-GNPs (U-Sal-Cy-GNPs) which are obtained through the acylation reaction of carboxylated salophen with cysteamine-capped GNPs (Cy-GNPs) to form Sal-Cy-GNPs and then the chelation reaction of uranyl with tetradentate ligand salophen in the Sal-Cy-GNPs. A FBP molecule is used easily to connect two U-Sal-Cy-GNPs to cause the aggregation of the GNPs by utilizing the specific affinity of uranyl-salophen complex to phosphate group, resulting in the production of strong RLS signal from the system. The amount of FBPs can be determined through detecting the RLS intensity change of the system. A linear range was found to be 2.5 to 75 nmol/L with a detection limit of 0.91 nmol/L under optimal conditions. The method has been successfully used to determine FBPs in real samples with the recoveries of 96.5-103.5 %. © 2015 Springer-Verlag Berlin Heidelberg.
语种：
英文
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Chemical and biological insights into uranium-induced apoptosis of rat hepatic cell line
作者：
Liu, Fang;Du, Ke-Jie;Fang, Zhen;You, Yong;Wen, Ge-Bo* ;...
期刊：
Radiation and Environmental Biophysics ,2015年54(2):207-216 ISSN：0301-634X
通讯作者：
Wen, Ge-Bo
作者机构：
[Wen, Ge-Bo; You, Yong; Liu, Fang] Univ South China, Key Lab Tumor Cellular & Mol Pathol, Coll Hunan Prov, Hengyang 421001, Peoples R China.;[Lin, Ying-Wu; Du, Ke-Jie] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;[Fang, Zhen] Anhui Normal Univ, Coll Chem & Mat Sci, Wuhu 241000, Peoples R China.;[Wen, Ge-Bo; Lin, Ying-Wu] Univ South China, Lab Prot Struct & Funct, Hengyang 421001, Peoples R China.
通讯机构：
[Wen, Ge-Bo] U;Univ South China, Lab Prot Struct & Funct, Hengyang 421001, Peoples R China.
关键词：
Uranium;Hepatic cell;Cytotoxicity;Apoptosis;Caspases
摘要：
Ur anium release into the environment is a threat to human health, and the mechanisms of cytotoxicity caused by uranium are not well-understood. To improve our understanding in this respect, we herein evaluated the effects of uranium exposure on normal rat hepatic BRL cells. As revealed by scanning electron microscopy and transmission electron microscope analysis, uranyl nitrate was found to be transformed into uranyl phosphate particles in the medium and taken up by BRL cells in an endocytotic uptake manner, which presumably initiates apoptosis of the cell, although soluble uranyl ion may also be toxic. The apoptosis of BRL cells upon uranium exposure was also confirmed by both the acridine orange and ethidium bromide double staining assay and the Annexin V/propidium iodide double staining assay. Further studies revealed that uranium induced the loss of mitochondrial membrane potential in a dose-dependent manner. Moreover, the uranium-induced apoptosis was found to be associated with the activation of caspase-3, caspase-8 and caspase-9, indicating both a mitochondria-dependent signaling pathway and a death receptor pathway by a crosstalk. This study provides new chemical and biological insights into the mechanism of uranium toxicity toward hepatic cells, which will help seek approaches for biological remediation of uranium.
语种：
英文
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