摘要：
A novel method for the simultaneous determination of alpha-naphthol (alpha-NAP), beta-naphthol (beta-NAP) and 1-hydroxypyrene (1-OHP) in human urine has been established by using synchronous fluorescence spectrometry. The measurement was carried out in sodium acetate-boroborax buffer solution (pH = 5.0) with beta-cyclodextrin (beta-CD) enhancing fluorescence. At D Delta lambda = 23 nm, 1-OHP and beta-NAP exhibit maximum signal with minimum interferences from alpha-NAP. At Delta lambda = 175 nm, the signal of alpha-NAP is not influenced by the presence of 1-OHP and beta-NAP. The signals detected at these three wavelengths, 360.2 nm, 330.6nm and 296.4nm, vary linearly when the concentration of 1-OHP, beta-NAP and alpha-NAP is in the range of 0.65-218.3 ng mL(-1), 2.8-1441.0 ng mL(-1) and 3.6-1586.0 ng mL(-1), respectively. The limits of detection (LOD) for alpha-NAP, beta-NAP and 1-OHP were 1.53 ng mL(-1), 0.78 ng mL(-1) and 0.020 ng mL(-1) with relative standard deviations (RSD) of 2.3%, 2.4% and 1.8%, respectively. The proposed method was successfully applied for the simultaneous determination of alpha-NAP, beta-NAP and 1-OHP in human urine samples, and the obtained results were in good agreement with those obtained by the method of high-performance liquid chromatography (HPLC).
通讯机构：
[Chen, Xuan] U;Univ S China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
会议名称：
International Conference on Chemical Engineering and Advanced Materials
会议时间：
MAY 28-30, 2011
会议地点：
Changsha, PEOPLES R CHINA
会议主办单位：
[Chen, Xuan;Nie, ChangMing;Wen, Songnian] Univ S China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
会议论文集名称：
Advanced Materials Research
关键词：
Mercaptan;QSPR/QSAR;Quantum mechanics;Quantum topological index
摘要：
A new molecular quantum topological index QT was constructed by molecular topological methods and quantum mechanics (QM), which together with Gibbs free energy(G), Constant volume mole hot melting(CV) that were calculated by density functional theory (DFT) at the B3LYP/6-31G(d) level of theory for mercaptans. Index QT can not only efficiently distinguish molecular structures of mercaptans, but also possess good applications of QSPR/QSAR (quantitative structure-property/activity relationships). And most of the correlation coefficients of the models were 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 verified the good stability and predictive ability of the models employing the cross-validation parameters: RCV, SCV and FCV, which demonstrated the wide potential of the index QT for applications to QSPR/ QSAR.
摘要：
An efficient method for quality control of Fructus Aurantii Immaturus (FAI), a famous traditional Chinese medicine (TCM) was established. A simple and reliable high-performance liquid chromatography-photodiode array detector (HPLC-DAD) procedure coupled with chemometric methods was developed for fingerprint analysis, qualitative analysis and quantitative determination of this herb. In qualitative and quantitative analyses, heuristic evolving latent projection (HELP) method was employed to resolve the overlapping peaks of the tested samples. Two bioactive components, namely hesperidin and naringin, are confirmed and determined, together with four flavonoids compounds tentatively identified including two new ones. From fingerprint analysis, the fingerprint data were processed with correlation coefficients for quantitative expression of their similarity and dissimilarity. The developed method based on an integration of chromatographic fingerprint and quantitative analysis is scientific, and the obtained results can be applied to the quality control of herb medicine.
摘要：
Mesoporous carbon (MC) was utilized to increase the mesoporosity of LiCoO2 composite cathode. Graphite powder (GP) was chosen as a standard of comparison because of its very low mesoporosity. Compared with MC, GP has similar particle size, lower specific surface area, and higher electronic conductivity. Acetylene black (AB) exists in the form of chains of nanoparticles. With all other factors held constant, the mixture of AB and MC (ABMC)-loaded LiCoO2 composite cathode (ABMC cathode) was superior to the mixture of AB and GP (ABGP)-loaded LiCoO2 composite cathode (ABGP cathode). The reason is described as follows. Both GP and MC form a conductive network with AB chains. ABGP cathode has higher electronic conductivity than ABMC cathode. But the ionic conductivity of the ABMC cathode is more easily enhanced than the ABGP cathode because the former has much greater mesoporosity. In addition, the mesopores absorb and retain electrolyte solution and then provide buffer lithium ions for quick electrochemical reactions, so shortening the lithium ion transfer path in the composite cathode.
摘要：
Reaction of Cd(Ac)2, 1,4-diazabicyclo[2.2.2]octane (DABCO) and biphenyl-2,2′-dicarboxylic acid or biphenyl-4,4′-dicarboxylic acid, two new cadmium complexes, namely molecular quadrangle [Cd2(2,2′-BPDC)2(Ac)2(DABCOH)2]·2H2O (1) and one dimension (1-D) chain [Cd(Ac)2(DABCO)(H2O)]n·2nH2O (2), have been synthesized and characterized by elemental analysis, IR spectroscopy and X-ray crystallography. The solution–gel–solution transformation course to crystallize 2 was captured. Through the alternately hydrogen bonds between coordinated Ac− and lattice H2O, both 1 and 2 give rise to a three-dimensional supramolecular structures. In room temperature, 1 displays intense blue fluorescent emission derived from ligand-to-metal change transfer (LMCT).
作者机构：
[王晓; 郑伟娜] School of Chemistry and Chemical Engineering, University of South China, Hengyang 421001, China;[谭凯旋; 夏良树] School of Nuclear Resources and Nuclear Fuel Engineering, University of South China, Hengyang 421001, China
通讯机构：
School of Nuclear Resources and Nuclear Fuel Engineering, University of South China, China
作者机构：
[肖静水; 肖锡林; 刘慧君] Chemistry and Chemical Engineering College, University of South China, Hengyang 421001, China;[黄生力] Tianshui Analytical Center for Geology and Mineral, CNNC, Tianshui 741000, China
通讯机构：
Chemistry and Chemical Engineering College, University of South China, China
期刊：
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY,2011年11(3):2389-2397 ISSN：1533-4880
通讯作者：
Chen, Chunying
作者机构：
[Liu, Ying; Du, Jiangfeng; Li, Wei; Chen, Chunying; Ge, Cuicui; Li, Yufeng; Qiu, Yang] Inst High Energy Phys, CAS Key Lab Biol Effects Nanomat & Nanosafety, Beijing 100190, Peoples R China.;[Liu, Ying; Du, Jiangfeng; Li, Wei; Chen, Chunying; Ge, Cuicui; Li, Yufeng; Qiu, Yang] Natl Ctr Nanosci & Technol China, Beijing 100190, Peoples R China.;[Gao, Yuxi; Li, Wei; Chai, Zhifang; Chen, Chunying; Li, Bai; Ge, Cuicui; Li, Yufeng] Chinese Acad Sci, Inst High Energy Phys, CAS Key Lab Nucl Analyt Tech, Beijing 100049, Peoples R China.;[Du, Jiangfeng] Univ S China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
通讯机构：
[Chen, Chunying] I;Inst High Energy Phys, CAS Key Lab Biol Effects Nanomat & Nanosafety, Beijing 100190, Peoples R China.
关键词：
Catalyst Elements;Carbon Nanotubes;Inductively Coupled Plasma Mass Spectrometry;Neutron Activation Analysis
摘要：
Commercially available carbon nanotubes (CNT) often contain some quantities of metallic and carbonaceous impurities. These impurities influence their physicochemical properties and performance, and accordingly a number of potential applications. The lack of information of metal impurities may also preclude accurate environmental and health risk assessments for specific CNT materials. To address these needs, a quantitative analysis of the metal contents has been made in a number of commercial carbon nanotubes produced by different manufacturers. More than 20 metals or metalloids were determined by neutron activation analysis. The results indicate arranging from 0.44 to 3 wt% of catalyst residues remained although the producers claim to provide a catalyst-free product. Most of the impurity elements are transition metals, such as Fe, Ni, Mo, Y, Co and Cr. In addition to the expected catalyst residues, other unexpected impurity elements were detected including As, Gd, W, Yb, Sm and so on. Metallic impurities in carbon nanotube materials should come from the large-scale production procedures, post fabrication and post-purification treatments. The analytical results determined by inductively-coupled plasma mass spectrometry show that a further deep purification using conventional acid reflux cannot completely remove the metallic impurities from carbon nanotubes. Post-production clean up is difficult and often incompletely.
作者机构：
[周继承; 李德华; 任文明; 阳鹏飞] Key Laboratory of Green Catalysis and Chemical Reaction Engineering of Hunan Province, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China;[阳鹏飞] School of Chemistry and Chemical, Engineering University of South China, Hengyang 421001, China
