Determination of Sudan I in chilli powder from solvent components gradual change–visible spectra data using second order calibration algorithms
作者：
Yuan, Jintao;Liao, Lifu* ;Lin, Yingwu;Deng, Changai;He, Bo
期刊：
Analytica Chimica Acta ,2008年607(2):160-167 ISSN：0003-2670
通讯作者：
Liao, Lifu
作者机构：
[Yuan, Jintao; Liao, Lifu; Lin, Yingwu; Deng, Changai] Univ S China, Coll Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.;[Yuan, Jintao; He, Bo] Univ S China, Coll Publ Hlth, Hengyang 421001, Hunan, Peoples R China.
通讯机构：
[Liao, Lifu] U;Univ S China, Coll Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
关键词：
Parallel factor analysis;Rank annihilation factor analysis;Second order calibration;Solvent components gradual change;Sudan I;Visible absorption spectra
摘要：
It was discovered that a second order spectra data matrix of Sudan I produced from the solvent components gradual change-visible absorption spectra can be expressed as the combination of two bilinear data matrices. Based on this discovery, a new method for the determination of Sudan I in gray systems using second order calibration algorithms has been developed. The second order calibration algorithms were based on the popular parallel factor analysis (PARAFAC) and rank annihilation factor analysis (RAFA), respectively. In the method described here, the components of the solvent were changed gradually by adding ethanol into cyclohexane, the absorption spectra of Sudan I and chilli samples in a series of cyclohexane-ethanol mixed solvents with various ethanol volume fractions were recorded, and then the second order data were obtained from the solvent components gradual change-visible absorption spectra. Thus, the concentration of Sudan I in a gray system could be determined from the spectra matrices using second order calibration algorithms. This method is simple, convenient and dependable. The method has been used to determine Sudan I in chilli powder with satisfactory results. © 2007 Elsevier B.V. All rights reserved.
语种：
英文
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Study on the interaction among pyronine Y, potassium bromate and naphthols by absorption, three-dimension fluorescence and resonance light scattering spectra and their application
作者：
Yang, Hongmei;Wang, Yongsheng* ;Wang, Ying;Li, Junhong;Xiao, Xilin;...
期刊：
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY ,2008年71(4):1290-1295 ISSN：1386-1425
通讯作者：
Wang, Yongsheng
作者机构：
[Li, Junhong; Wang, Yongsheng; Wang, Ying; Tan, Xuan; Yang, Hongmei] Univ S China, Coll Publ Hlth, Hengyang 421001, Peoples R China.;[Xiao, Xilin] Univ S China, Coll Chem & Chem Engn, Hengyang 421001, Peoples R China.;[Wang, Yongsheng] Univ S China, Coll Publ Hlth, W Changsheng Rd 28, Hengyang 421001, Peoples R China.
通讯机构：
[Wang, Yongsheng] U;Univ S China, Coll Publ Hlth, W Changsheng Rd 28, Hengyang 421001, Peoples R China.
关键词：
Resonance light scattering;Naphthols;PyronineY;Potassium bromate;Urine
摘要：
A novel method for the determination of trace naphthols was proposed based on naphthols, potassium bromate and pyronine Y in dilute sulfuric acid medium can react to form ion-association complexes, which not only resulted in the changes of the three-dimension fluorescence spectra, absorption spectra and the quenching of fluorescence, but also resulted in the great enhancement of resonance light scattering (RLS). The characteristics of RLS spectra, the effective factors and optimum conditions of reaction were studied. It was found that the enhanced intensity of RLS at 396 nm was proportional to the concentration of 1-naphthol and 2-naphthol in the range of 41.4 similar to 3024 ng mL(-1) and 38.3 similar to 3068 ng mL-1, respectively. The urine samples analysis of the relative standard deviation was 3.1-7.1% and the average recovery was 96.0% (n = 6). The present method had been applied to the determination of trace naphthols in human urine, the obtained results were in good agreement with those obtained by the HPLC method; moreover, we had carried on an initial study of the reaction mechanism in terms of spectral characteristics. (C) 2008 Elsevier B.V. All rights reserved.
语种：
英文
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Zr和N共掺杂TiO_2的制备、表征及其光催化性能
作者：
丁坚强;许金生;袁亚莉;邓健;李乐;...
期刊：
中国有色金属学报 ,2008年18(12):2212-2217 ISSN：1004-0609
通讯作者：
Ding, J.-Q.
作者机构：
[袁亚莉; 李乐; 郭建波; 许金生; 丁坚强] School of Public Health, University of South China, Hengyang 421001, China;[袁亚莉; 邓健] School of Chemistry and Chemical Engineering, University of South China, Hengyang 421001, China;[许金生] Department of Chemistry and Materials Science, Hengyang Normal University, Hengyang 421008, China
通讯机构：
School of Public Health, University of South China, China
关键词：
纳米TiO2;掺杂;光催化;水解沉淀法;甲基橙
摘要：
利用水解沉淀法制备TiO2、N-TiO2、Zr-TiO2以及Zr和N共掺杂的纳米TiO2,用TEM、XRD、XPS和UV-Vis-DRs等方法对光催化剂的结构、元素组成和对可见光的响应等性能进行表征,并以甲基橙为目标降解物,测试其光催化降解效果。结果表明,Zr掺杂能够降低TiO2光催化剂的粒径;Zr和N共掺杂可以起到协同作用,提高样品的光催化活性,同时增强样品在可见光区的响应。Zr和N共掺杂TiO2在高压汞灯光照下比TiO2具有更好的光催化效果,2%Zr和N共掺杂TiO2光照3h后对甲基橙的降解率比纯TiO2提高32%。
语种：
中文
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Investigation of the relation between Cu (II) and the metabolite bis (5-butyl-2-pyridinecarboxylato-N1, 02)-copper from the marine fungus fusarium sp. ZZF51
作者：
谭倪;邵长伦;何丽仙;潘嘉慧;佘志刚;...
期刊：
中山大学学报(自然科学版)(中英文) ,2008年47(4):59-62 ISSN：0529-6579
通讯作者：
Tan, N.
作者机构：
[谭倪] School of Chemistry and Chemical Engineering, University of South China, Hengyang 421001, China;[邵长伦] School of Medicine and Pharmacy, Ocean University of China, Qingdao 266003, China;[谭倪; 邵长伦; 潘嘉慧; 林永成; 何丽仙; 佘志刚] School of Chemistry and Chemical Engineering, Sun Yat-sen University, Guangzhou 510275, China
通讯机构：
School of Chemistry and Chemical Engineering, University of South China, China
关键词：
代谢产物;二(5-丁基-2-吡啶甲酸-N1,O2)合铜(Ⅱ)
摘要：
从南海红树林内源真菌Fusarium sp. ZZF51的培养液中分离得到一金属络合物(1),通过波谱数据和单晶衍射数据解析其结构为二(5-丁基-2-吡啶甲酸-N1,O2)合铜(Ⅱ)。为提高其产量,研究了Cu(Ⅱ)对络合物(1)产量和菌株生长的影响,结果表明:在参与真菌Fusarium sp. ZZF51代谢活动的过程中,Cu(Ⅱ)能显著促使络合物(1)的产生,但对真菌的生长影响甚微.
语种：
中文
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多元校正电位络合滴定法同时测定合金中铜铅锌
作者：
邓昌爱;廖力夫;刘传湘;付仕福;何博
期刊：
冶金分析 ,2008年28(9):54-57 ISSN：1000-7571
通讯作者：
Deng, C.-A.
作者机构：
[邓昌爱; 廖力夫; 付仕福; 刘传湘; 何博] School of Chemistry and Chemical Engineering, University of South China, Hengyang 421001, China
通讯机构：
School of Chemistry and Chemical Engineering, University of South China, China
关键词：
铜;铅;锌;电位络合滴定;多元校正;合金
摘要：
建立了一种可同时测定合金中铜、铅、锌等多组分含量的电位络合滴定方法。用ED-TA与氟化钠的混合溶液作为滴定剂,被滴定液中同时插入了汞膜电极和氟离子选择电极,在滴定过程中的任一滴定点,溶液中汞离子的浓度和滴定剂的加入体积可由两个电极的电位测定值同时获得,从而可应用多元校正法由相应的滴定曲线求得混合金属中每一种组分的含量。该方法免去了直接读取滴定剂的体积,且不需确定滴定终点。应用本方法同时对合金样品中的铜、铅、锌进行了测定,其相对标准偏差为0.18%～0.45%,回收率为99.5%～101.6%。
语种：
中文
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The effect of different kinds of nano-carbon conductive additives in lithium ion batteries on the resistance and electrochemical behavior of the LiCoO2 composite cathodes
作者：
Wang Guoping* ;Zhang Qingtang;Yu Zuolong;Qu MeiZheng
期刊：
Solid State Ionics ,2008年179(7-8):263-268 ISSN：0167-2738
通讯作者：
Wang Guoping
作者机构：
[Wang Guoping] Univ S China, Coll Chem Engn, Hengyang 421001, Peoples R China.;[Wang Guoping; Yu Zuolong; Qu MeiZheng; Zhang Qingtang] Chengdu Inst Organ Chem, Chengdu 610041, Peoples R China.
通讯机构：
[Wang Guoping] U;Univ S China, Coll Chem Engn, Hengyang 421001, Peoples R China.
关键词：
rate capacity;conductive additives;carbon nanotubes;carbon blacks;lithium ion batteries
摘要：
Acetylene black, chemical vapor deposit carbon fibers and carbon nanotubes (CNTs) are employed as conductive additives in lithium ion batteries. Among them, carbon nanotubes are proved to be the most effective for decreasing the resistance and improving electrochemical behavior of the composite cathode. Their wire-like shape, crystallinity and nano-size are all considered to be important factors. Their wire-like shape favors developing continuous conductive network and then assures an efficient electronic transport throughout the cathode. Their higher crystalline and nano-size make them show better ability to rapidly transfer electrons and lower percolation threshold in comparison with vapor carbon fiber. Moreover, their higher surface energy guarantees their close contact with the active materials LiCoO<inf>2</inf>. The results suggest that much conductive additives could be saved by employing CNTs as conducting agents, and the cathode with only a small amount of CNTs conductive additives shows excellent rate capacity. A simplifying model to explain the phenomena is also presented. ©2008 Elsevier B.V. All rights reserved.
语种：
英文
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Study on adsorptive capacity of uranium by 4 biosorbents
作者：
夏良树;谭凯旋;邓帛辉;邓昌爱;王孟
期刊：
化学工程 ,2008年36(2):9-12 ISSN：1005-9954
通讯作者：
Xia, L.-S.(xls1966@hotmail.com)
作者机构：
[夏良树] 中国科学院广州地球化学研究所;[谭凯旋; 邓昌爱; 王孟] 南华大学化学化工学院;[邓帛辉] 湖南中成化工有限公司;南华大学化学化工学院 广东广州510640;湖南衡阳421001
通讯机构：
Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, China
关键词：
啤酒酵母菌;榕树叶;杉树皮;海草;铀;生物吸附剂
摘要：
以保护环境为目的,以寻求廉价而有效的生物吸附材料为出发点,研究了啤酒酵母菌、北海海草、榕树叶、杉树皮等4种吸附剂对铀的吸附性能的影响。结果表明：4种吸附剂对低浓度铀具有很好的富集作用,其吸附率都在99%以上;每种吸附剂都存在1个最适pH值和1个最佳投放质量浓度,依次对应为4.0-5.0,4-4.5,3.5-4.0,3.0-4.0和10,12,8,10 g/L;4种生物吸附剂对铀吸附符合Freundlich和Langmuir吸附等温方程,且吻合良好;另外4种吸附剂对铀的吸附在吸附量之间存在较大差别,在同一平衡浓度下,吸附量大小顺序为：啤酒酵母菌〉榕树叶〉北海海草〉杉树皮。
语种：
中文
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US/Fe~(3+)/H_2O_2体系超声催化降解甲基橙的研究
作者：
夏良树;王孟;李来丙;陈仲清
期刊：
化学工程 ,2007年35(7):58-62 ISSN：1005-9954
通讯作者：
Xia, L.-S.(xls1966@hotmail.com)
作者机构：
[夏良树; 王孟; 陈仲清] 中国科学院,广州地球化学研究所;[李来丙] 湖南工学院,高新材料研究所
通讯机构：
Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, China
关键词：
US/Fe~(3+)/H_2O_2体系;甲基橙;超声催化降解
摘要：
采用US/Fe~(3+)/H_2O_2体系超声催化降解甲基橙,考察了超声波功率、Fe~(3+)初始质量浓度、H_2O_2用量、甲基橙溶液的初始质量浓度及初始pH值对超声催化降解甲基橙的影响,初步探讨了其降解动力学规律.结果表明,US/Fe~(3+)/H_2O_2体系能有效降解甲基橙,且超声波与Fenton试剂对甲基橙废水的降解存在强烈的协同作用;在pH=3、超声波功率500 W、Fe~(3+)和H_2O_2的初始质量浓度分别为30 mg/L和150 mg/L时,对含30 mg/L的甲基橙溶液降解120 min,其去除率达到99.5%;甲基橙的超声催化降解符合一级反应动力学规律,且甲基橙的一级反应速率常数随其初始质量浓度增大而降低.
语种：
中文
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磺胺二甲嘧啶分子印迹聚合物制备与光谱特性
作者：
Liu Hui-Jun* ;Xu Wei-Iian;Liu Yao-Chi;Xiong Yuan-Qin
期刊：
光谱学与光谱分析 ,2007年27(8):1596-1599 ISSN：1000-0593
通讯作者：
Liu Hui-Jun
作者机构：
[Liu Hui-Jun] Univ S China, Coll Chem & Chem Engn, Hengyang 421001, Peoples R China.;Hunan Univ, Coll Chem & Chem Engn, Changsha 410082, Peoples R China.
通讯机构：
[Liu Hui-Jun] U;Univ S China, Coll Chem & Chem Engn, Hengyang 421001, Peoples R China.
关键词：
磺胺二甲嘧啶;分子印迹聚合物;光谱分析;分子识别
摘要：
本研究以磺胺二甲嘧啶为模板分子,甲基丙烯酸为功能单体,低温紫外引发聚合制备分子印迹聚合物,用紫外光谱法对磺胺二甲嘧啶与甲基丙烯酸的结合作用及磺胺二甲嘧啶印迹聚合物的静态吸附性能和选择性能进行研究,试验结果表明,溶液中的功能单体与印迹分子之间产生了结合作用;与空白印迹聚合物相比,以甲基丙烯酸为功能单体、磺胺二甲嘧啶为模板的分子印迹聚合物展现了较高的结合容量,与其他结构类似的底物磺胺异噁唑相比,磺胺二甲嘧啶分子印迹聚合物对磺胺二甲嘧啶模板分子显示出明显的选择性和特异性,静态分配系数KD可达282.3 mg·mL~(-1),分离因子α可达3.9,并预测磺胺二甲嘧啶分子印迹聚合物结合机理.分析了甲基丙烯酸、二甲基丙烯酸乙二醇酯和磺胺二甲嘧啶分子印迹聚合物的红外谱图,研究结果表明制备的磺胺二甲嘧啶印迹聚合物中C=C双键峰很小,并且功能键羧酸键没有明显变化,经交联聚合得到的聚合物确实存在可以同印迹分子相互作用的化学基团.
语种：
中文
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Triton X-100敏化鱼精蛋白共振能量转移荧光猝灭法测定尿中8-羟基脱氧鸟苷
作者：
Mi Xian-Wen* ;Wang Yong-Sheng;Xue Jin-Hua;Ouyang Yun-Fu;Yang Sheng-Yuan;...
期刊：
光谱学与光谱分析 ,2007年27(8):1570-1573 ISSN：1000-0593
通讯作者：
Mi Xian-Wen
作者机构：
[Mi Xian-Wen] Nanhua Univ, Coll Publ Hlth, Hengyang 421001, Peoples R China.;Nanhua Univ, Coll Chem & Chem Engn, Hengyang 421001, Peoples R China.;Huaihua Med Coll, Huaihua 418000, Peoples R China.
通讯机构：
[Mi Xian-Wen] N;Nanhua Univ, Coll Publ Hlth, Hengyang 421001, Peoples R China.
关键词：
8-羟基脱氧鸟苷;鱼精蛋白;荧光猝灭;共振能量转移
摘要：
研究了8-羟基脱氧鸟苷与鱼精蛋白之间的共振能量转移的最佳条件,建立了鱼精蛋白共振能量转移荧光猝灭法测定8-羟基脱氧鸟苷的新方法.在301 nm,pH 8.2的Tris-HCl缓冲溶液中,鱼精蛋白的荧光猝灭强度与8-羟基脱氧鸟苷的浓度成正比,工作曲线的线性范围为0.50～7.1 μg·mL~(-1),r=0.996 7,方法的检出限为0.18 μg·mL~(-1),RSD=6.2%,平均加标回收率为104%(n=6).
语种：
中文
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Phase transformation of zirconia in sulfated zirconia–LiCl system
作者：
Zhao, Yubao* ;Yuan, Xiaohong;Liu, Chuanxiang;Huang, Chuanjing;Wan, Huilin
期刊：
Materials Letters ,2007年61(4-5):942-943 ISSN：0167-577X
通讯作者：
Zhao, Yubao
作者机构：
[Zhao, Yubao] Xiamen Univ, Dept Chem, State Key Lab Phys Chem Solid Surface, Xiamen 361005, Peoples R China.;Xiamen Univ, Inst Phys Chem, Xiamen 361005, Peoples R China.;Nanhua Univ, Coll Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
通讯机构：
[Zhao, Yubao] X;Xiamen Univ, Dept Chem, State Key Lab Phys Chem Solid Surface, Xiamen 361005, Peoples R China.
关键词：
Zirconia;Phase transformation;Raman spectroscopy;X-ray diffraction
摘要：
The phase transformation from tetragonal to monoclinic of zirconia for a series of sulfated zirconia–LiCl samples was characterized by ultraviolet Raman spectroscopy (UVRS) and X-ray diffraction (XRD). Results show that such phase transformation increases with increasing LiCl content and the monoclinic phase is first detected by XRD than that by UVRS for the sample with Li content of 0.5 wt.%. The comparison between XRD and UVRS characterizations indicates that the phase transition takes place initially at the core.
语种：
英文
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酸度-光谱双线性数据矩阵秩消失因子分析法定量分析混合物中的铀
作者：
廖力夫;谢水波;杨静;袁金涛
期刊：
核化学与放射化学 ,2007年29(3):156-160 ISSN：0253-9950
通讯作者：
Liao, L.-F.
作者机构：
[廖力夫; 杨静; 袁金涛] 南华大学,化学化工学院;[谢水波] 南华大学,建筑工程与资源环境学院
通讯机构：
Department of Chemistry and Chemical Engineering, Nanhua University, China
关键词：
铀;秩消失因子分析法;酸度-光谱双线性数据矩阵
摘要：
为探究不经分离直接定量分析含有钍、镧等元素混合物中的铀,以偶氮胂Ⅲ为显色剂,建立了酸度-光谱双线性数据矩阵秩消失因子分析法.结果表明,当pH=0.3 ～ 4.8 ,λ为600 ～ 680 nm时,方法的检出限为0.085 mg/L;当混合物中铀的质量浓度为1.19 ～ 4.76 mg/L时,相对标准偏差为1.5% ～ 4.2%.用该方法对实际样品进行了测定,加标回收率为 97.5% ～ 103.4%.
语种：
中文
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钼酸铵-异丙醇体系光化学催化分光光度法测定痕量铜
作者：
杨静;廖力夫;刘传湘;杨江柳
期刊：
冶金分析 ,2007年27(10):56-58 ISSN：1000-7571
通讯作者：
Yang, J.
作者机构：
南华大学公共卫生学院,湖南衡阳,421001;南华大学化学化工学院,湖南衡阳,421001;[杨江柳; 杨静; 刘传湘; 廖力夫] 南华大学
通讯机构：
School of Public Health, Nanhua University, China
关键词：
铜;光化学催化;分光光度法;钼酸铵;异丙醇
摘要：
在0.18 mol/L硫酸介质中,通过高压汞灯照射,铜能强烈催化异丙醇还原钼酸铵生成同多钼蓝的反应,据此建立了光化学催化分光光度法测定痕量铜的新方法.讨论了酸度、试剂用量、光照时间、光照距离等因素对测定的影响.方法的线性范围为0.021～0.50 μg/mL,检出限为6.43 ng/mL.用于河水中痕量铜的测定,相对标准偏差为1.1%～3.2%,样品加标回收率为98.3%～101%.
语种：
中文
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Relationship between apolipoprotein concentrations and HDL subclasses distribution
作者：
Tian, Li;Fu, Mingde* ;Jia, Lianqun;Xu, Yanhua;Long, Shiyin;...
期刊：
Lipids ,2007年42(5):419-426 ISSN：0024-4201
通讯作者：
Fu, Mingde
作者机构：
Sichuan Univ, W China Hosp, Lab Endocrinol & Metab, Chengdu 610041, Sichuan, Peoples R China.;Chengdu Hoist Biotechnol Co Ltd, Chengdu, Sichuan, Peoples R China.;Nanhua Univ, Dept Biochem & Mol Biol, Hengyang, Hunan, Peoples R China.;[Fu, Mingde] Sichuan Univ, W China Hosp, Lab Endocrinol & Metab, New Bldg 6,Room 902,16 Sect 3,People S Rd, Chengdu 610041, Sichuan, Peoples R China.
通讯机构：
[Fu, Mingde] S;Sichuan Univ, W China Hosp, Lab Endocrinol & Metab, New Bldg 6,Room 902,16 Sect 3,People S Rd, Chengdu 610041, Sichuan, Peoples R China.
会议名称：
第五届中国蛋白质组学大会暨首届粤港蛋白质组学学术交流会
会议时间：
2007-8-20
会议地点：
广州
会议主办单位：
中国生物化学与分子生物学会
会议论文集名称：
第五届中国蛋白质组学大会暨首届粤港蛋白质组学学术交流会论文集
关键词：
Apolipoproteins;Lipoproteins;Plasma lipids;Arteriosclerosis
摘要：
Alterations in plasma apolipoproteins levels can influence the composition, content, and distribution of plasma lipoproteins that affect the risk of atherosclerosis. This study assessed the relationship between plasma apolipoproteins levels, mainly apoAI, and HDL subclass distribution. The contents of plasma HDL subclasses were determined by two-dimensional gel electrophoresis coupled with immunodetection in 545 Chinese subjects. Compared with a low apoAI group, the contents of all HDL subclasses increased significantly both in middle and high apoAI group, and the contents of large-sized HDL(2b) increased more significantly relative to those of small-sized prebeta(1)-HDL in a high apoAI group. When apoAI and HDL-C levels increased simultaneously, in comparison to a low apoAI along with HDL-C concentration group, a significant increase (116%) was shown in HDL2b but only a slight increase (26%) in prebeta1-HDL. In addition, Pearson correlation analysis revealed that apoAI levels were positively and significantly correlated with all HDL subclasses. Multiple liner regression demonstrated that the apoAI concentrations were the most powerful predictor for HDL subclass distribution. With the elevation of apoAI concentrations, the contents of all HDL subclasses increased successively and significantly, especially, an increase in large-sized HDL(2b). Further, when apoAI and HDL-C concentrations increased simultaneously, the shift to larger HDL size was more obvious. Which, in turn, indicated that HDL maturation might be enhanced and, the reverse cholesterol transport might be strengthened along with apoAI levels which might be a more powerful factor influencing the distribution of HDL subclasses.
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英文
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A novel semi-empirical topological descriptor Nt and the application to study on QSPR/QSAR
作者：
Zhou, Congyi;Nie, Changming* ;Li, Shan;Li, Zhonghai
期刊：
Journal of Computational Chemistry ,2007年28(15):2413-2423 ISSN：0192-8651
通讯作者：
Nie, Changming
作者机构：
[Nie, Changming] Nanhua Univ, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;Waseda Univ, Sch Sci & Engn, Dept Appl Chem, Tokyo 1698555, Japan.;Cent S Univ Foresty & Technol, Sch Life Sci & Technol, Changsha 410004, Peoples R China.
通讯机构：
[Nie, Changming] N;Nanhua Univ, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
关键词：
equilibrium electronegativity;organic compounds;QSPR/QSAR;topological descriptor Nt
摘要：
A novel semi-empirical topological descriptor Nt was proposed by revising the traditional distance matrix based on the equilibrium electronegativity and the relative bond length. Nt can not only efficiently distinguish structures of organic compounds containing multiple bonds and/or heteroatoms, but also possess good applications of QSPR/QSAR (quantitative structure-property/activity relationships) to a large diverse set of compounds, which are alkanes, alkenes, alkynes, aldehydes, ketones, thiols, and alkoxy silicon chlorides with all the correlation coefficients of the models over 0.99. The LOO CV (leave-one-out cross-validation) method was used to testify the stability and predictive ability of the models. The validation results verify the good stability and predictive ability of the models employing the cross-validation parameters: R<inf>CV</inf>. SEP<inf>CV</inf> and S<inf>CV</inf>. which demonstrate the wide potential of the Nt descriptor for applications to QSPR/ QSAR. ©2007 Wiley Periodicals, Inc.
语种：
英文
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Simultaneous determination of calcium and magnesium by calculative spectrophotometric complexometric titration
作者：
Liao Li-Fu* ;Xiao Xi-Lin;Yang Ming-Hu;Yang Jing
期刊：
光谱学与光谱分析 ,2007年27(12):2601-2604 ISSN：1000-0593
通讯作者：
Liao Li-Fu
作者机构：
[Yang Jing; Liao Li-Fu; Xiao Xi-Lin] Nanhua Univ, Dept Chem & Chem Engn, Henyang 421001, Peoples R China.;[Yang Ming-Hu; Xiao Xi-Lin] Hunan Univ, State Key Lab Chemo Biosensing & Chemomet, Changsha 410082, Peoples R China.
通讯机构：
[Liao Li-Fu] N;Nanhua Univ, Dept Chem & Chem Engn, Henyang 421001, Peoples R China.
关键词：
配位滴定;光谱法;化学计量学;钙;镁
摘要：
建立了一种将光谱配位滴定分析法与化学计量学相结合同时测定混合金属离子的新方法。在这种方法中,滴定剂是由EDTA和两种指示剂组成的混合溶液。滴定过程中滴定剂的加入体积和滴定反应进程可由吸收光谱通过计算同时获得,并进一步得到滴定曲线。应用滴定曲线可建立相应的矩阵方程,从而可应用主成分回归法计算金属混合物中各组分的浓度。该方法只需要光谱信息就可得到分析结果,免去了对体积的计量,因此方法简便,准确。应用该方法以孔雀绿和Cu-PAN为指示剂对钙和镁的混合溶液进行了同时测定,结果满意。
语种：
中文
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Process monitored spectrophotometric titration coupled with chemometrics for simultaneous determination of mixtures of weak acids
作者：
Liao, Lifu* ;Yang, Jing;Yuan, Jintao
期刊：
Analytica Chimica Acta ,2007年591(1):123-131 ISSN：0003-2670
通讯作者：
Liao, Lifu
作者机构：
[Liao, Lifu; Yang, Jing; Yuan, Jintao] Nanhua Univ, Coll Chem & Chem Engn, Hengyang 421001, Peoples R China.
通讯机构：
[Liao, Lifu] N;Nanhua Univ, Coll Chem & Chem Engn, Hengyang 421001, Peoples R China.
关键词：
Mixture of weak acids;Principal component regression;Spectrophotometric titration
摘要：
A new spectrophotometric titration method coupled with chemometrics for the simultaneous determination of mixtures of weak acids has been developed. In this method, the titrant is a mixture of sodium hydroxide and an acid-base indicator, and the indicator is used to monitor the titration process. In a process of titration, both the added volume of titrant and the solution acidity at each titration point can be obtained simultaneously from an absorption spectrum by least square algorithm, and then the concentration of each component in the mixture can be obtained from the titration curves by principal component regression. The method only needs the information of absorbance spectra to obtain the analytical results, and is free of volumetric measurements. The analyses are independent of titration end point and do not need the accurate values of dissociation constants of the indicator and the acids. The method has been applied to the simultaneous determination of the mixtures of benzoic acid and salicylic acid, and the mixtures of phenol, o-chlorophenol and p-chlorophenol with satisfactory results. © 2007 Elsevier B.V. All rights reserved.
语种：
英文
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纳米TiO_2协同Fenton试剂光催化降解甲基橙
作者：
夏良树;李来丙;王孟;邓昌爱
期刊：
太阳能学报 ,2007年28(1):51-54 ISSN：0254-0096
通讯作者：
Xia, L.(xls1966@hotmail.com)
作者机构：
[王孟; 邓昌爱; 夏良树] School of Chemistry and Chemical Engineering, Nanhua University, Hengyang 421001, China;[李来丙] New-high Material Institute, Hunan Institute of Technology, Hengyang 421008, China
通讯机构：
School of Chemistry and Chemical Engineering, Nanhua University, China
关键词：
纳米TiO_2;甲基橙;协同效应
摘要：
采用纳米TiO_2协同Fenton试剂光催化降解甲基橙，研究了纳米TiO_2与Fenton试剂的协同效应，考察了H2O2用量、甲基橙溶液的初始浓度及初始pH值对降解效率的影响，并对其降解动力学规律作了初步探讨。结果表明：纳米TiO_2强化了Fenton试剂对甲基橙的降解效率，它们之间产生了较强烈的协同效应。在实验过程中，纳米TiO_2协同Fenton试剂光催化降解初始浓度30mg／L、pH=3．0的甲基橙120min，其降解率达到99．4％，分别是同等实验条件下单独纳米TiO_2降解率的2．63倍。单独Fenton试剂降解率的2．32倍，是两者算术和的1．2倍。在实验浓度范围内，甲基橙的降解反应符合准一级动力学过程；与Fenton反应相比，在0.2、0．4、0．6g/L纳米TiO_2的协同作用下，甲基橙的降解表现反应常数分别提高了1．71、2．51和3．36倍。半衰期相应缩短。另外，H_2O_2用量、甲基橙溶液初始浓度及初始pH对降解率有一定影响。
语种：
中文
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Predicting thermodynamic properties with a novel semiempirical topological descriptor and path numbers
作者：
Zhou, Congyi* ;Chu, Xi;Nie, Changming
期刊：
JOURNAL OF PHYSICAL CHEMISTRY B ,2007年111(34):10174-10179 ISSN：1520-6106
通讯作者：
Zhou, Congyi
作者机构：
[Zhou, Congyi] Univ Montana, Dept Chem, Missoula, MT 59812 USA.;Nanhua Univ, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
通讯机构：
[Zhou, Congyi] U;Univ Montana, Dept Chem, Missoula, MT 59812 USA.
摘要：
Group electronegativities, which take into account the influence of chemical environment, are calculated. Equilibrium electronegativity is defined on the basis of group electronegativity. Using relative bond lengths and equilibrium electronegativies, we create a novel semiempirical topological descriptor, Nt. A quantitative structure-property relationship (QSPR) model is subsequently developed using Nt together with path numbers P<inf>2</inf> and P<inf>3</inf>, to accurately predict thermodynamic properties of organic compounds. Excellent correlation coefficient values demonstrate the accuracy of the method. The contribution analysis indicates that Nt plays the most important role in the modeling. With the new QSPR model, we are able to predict a wide range of thermodynamic properties of an extensive number of molecules. The predictions are provided in the Supporting Information. ©2007 American Chemical Society.
语种：
英文
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Molecular descriptors of topology and a study on quantitative structure and property relationships
作者：
Zhou, Congyi* ;Nie, Changming
期刊：
Bulletin of the Chemical Society of Japan ,2007年80(8):1504-1510 ISSN：0009-2673
通讯作者：
Zhou, Congyi
作者机构：
[Zhou, Congyi] Nanhua Univ, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;Univ Montana, Dept Chem, Missoula, MT 59812 USA.;Waseda Univ, Sch Sci & Engn, Dept Appl Chem, Shinjuku Ku, Tokyo 1698555, Japan.
通讯机构：
[Zhou, Congyi] N;Nanhua Univ, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
摘要：
The novel topological descriptor PE was proposed, using a revised distance matrix involving relative bond length as well as equilibrium electronegativity. Along with PE, the quantitative structure-property relationships were included with path number P3. The analyzed models could be applicable to the condensed-type properties of hydrocarbons. Moreover, the models also were applicable to the Kováts retention indexes under different conditions. © 2007 The Chemical Society of Japan.
语种：
英文
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