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| 1 | Generalized two-dimensional correlation near-infrared spectroscopy and principal component analysis of the structures of methanol and ethanol显示文摘Liquid state methanol and ethanol under different temperatures have been investigated by FT-NIR(Fourier transform nearinfrared) spectroscopy,generalized two-dimensional(2D) correlation spectroscopy,and PCA(principal component analysis) . First,the FT-NIR spectra were measured over a temperature range of 30-64(or 30-71) °C,and then the 2D correlation spectra were computed.Combining near-infrared spectroscopy,generalized 2D correlation spectroscopy,and references,we analyzed the molecular structures(especially the hydrogen bond) of methanol and ethanol,and performed the NIR band assignments. The PCA method was employed to verify the results of the 2D analysis.This study will be helpful to the understanding of these reagents. | Liu Hao Xu JianPing Qu LingBo Xiang BingRen | 2010 | Science China Chemistry2010，53，5： | 5 |
| 2 | Study on the quantitative structureactivity relation-ship of C-10 substituted artemisinin(QHS)’s derivatives using rough set theory显示文摘The structure-activity relationship study of C-10 substituted artemisinin (QHS) derivatives that are used as antimalarial was performed with the RS (rough sets) method. An RS process is a concise nonlinear process, and it has broad application foreground in the data mining of nonlinear life courses. In this work, initially the parameters of C-10 substituted QHS’s derivatives were computed with the quantum chemistry method, and the information table was constructed from the parameters (condition attributes) and biological activity (decision attributes). Based on the analysis of rough set theory, the core and reduction of attributes sets were obtained. Then the decision rules were extracted and the struc-ture-activity relationship was analyzed. As a nonlinear system, RS theory can extract the special rela-tion in the database. It has the advantage of being nonlinear over multiple linear regression (MLR), principal component analysis (PCA), partial least square (PLS), etc., and the advantage of obtaining results with unambiguous physical meanings over artificial neuron networks (ANNs), etc. The result obtained in this study is instructive to the study of pharmacodynamics, resistance mechanism of QHS and development of QHS’s derivatives. | LIU Hao QU LingBo GAO HongBin WANG JinXiang HAN LiPing XIANG BingRen | 2008 | Science China Chemistry2008，51，10： | 5 |
| 3 | Quantitative and qualitative determination of acid value of peanut oil using near-infrared spectrometry显示文摘 | Yulan Rao Bingren Xiang Xiaohua Zhou Zhimei Wang Shaofei Xie Jianping Xu | 2009 | Journal of Food Engineering2009，，2： | 2 |
| 4 | Direct detection of phoxim in water by two-dimensional correlation near-infrared spectroscopy combined with partial least squares discriminant analysis显示文摘 | Congying Gu Bingren Xiang Jianping Xu | 2012 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy2012，，： | 1 |
| 5 | Quantitative and qualitative determination of acid value of peanut oil using near-infrared spectrometry 显示文摘 | Rao Yulan Xiang Bingren Zhou Xiaohua | 2009 | Journal of Food Engineering2009，93，2： | 1 |
| 6 | Quantitative and qualitative determination of acid value of peanut oil using near-infrared spectrometry显示文摘 | Yulan Rao Bingren Xiang Xiaohua Zhou Zhimei Wang Shaofei Xie Jianping Xu | 2009 | Journal of Food Engineering2009，，2： | 1 |
| 7 | Application of two-di men sion-al near-infrared correlation spectroscopy to the dis crim i na tion of Chinese herbal medicine of different geo graph ic regions显示文摘 | Jun Lu Bingren Xiang Hao Liu | 2008 | Spectrochimica Acta Part A2008，69，： | 1 |
| 8 | Direct determination of dichlorvos in water by partial least square-discriminant analysis 显示文摘 | Songhui Wang Bingren Xiang Yilong Su | 2012 | Environ- mental Chemistry Letters2012，10，： | 1 |
| 9 | Quantitative andqualitative determination of acid value of peanut oil using near-infraredspectrometry显示文摘 | RAO Yulan XIANG Bingren ZHOU Xiaohua | 2009 | Journal of Food Engineering2009，93，2： | 1 |
| 10 | Quantitative and qualitative determination of acid value of peanut oil using near - infrared spectrometry 显示文摘 | RAO Yulan XIANG Bingren ZHOU Xiaohua | 2009 | J Food Eng2009，93，2： | 1 |
| 11 | Application of two-dimensional near-infrared correlation spectroscopy to the discrimination of Chinese herbal medicine of different geographic regions显示文摘 | Jun Lu Bingren Xiang Hao Liu Suyun Xiang Shaofei Xie Haishan Deng | 2007 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy2007，，2： | 1 |
| 12 | Application of two-dimensional near-infrared correlation spectroscopy to the discrimination of Chinese herbal medicine of different geographic regions显示文摘 | Jun Lu Bingren Xiang Hao Liu ctal | 2008 | Spectrochimica Acta Part A2008，69，： | 1 |
| 13 | Classification of Chinese Triditional Medicine-Shanyao (Dioscorea opposita thumb) PyrolysisHigh Resolution Gas ChromatographyPattern Recognition显示文摘 | Yin Xia Xiang Bingren | 1990 | J China Pharm Univer1990，，21： | 1 |
| 14 | A Duffing oscillator algorithm to detect the weak chromatographic signal 显示文摘 | Zhang Wei Xiang Bingren | 2007 | Analytica Chim- ica Acta2007，585，1： | 1 |
| 15 | Rough Set-Based SAR Analysis:An Inductive Method显示文摘 | Dong Ying Xiang Bingren Wang Teng | | 0，，07： | 1 |
| 16 | Classification of Chinese TriditionalMedicine-Shanyao Pyrolysis/High Resolution GC/Pattern Recognition显示文摘 | Yin xia xiang Bingren | 1990 | J China Pharm Univer1990，2，2： | 1 |
| 17 | A new single-well potential stochastic resonance algorithm to detect the weak signal 显示文摘 | Zhang Wei and Xiang Bingren | 2006 | Talanta2006，70，2： | 1 |
| 18 | , Linear Modulated Stochastic Resonance Algorithm Applied to Determination of thidiazuron Residue in Water Using Stochastic Resonance 显示文摘 | Chen Changyun Xiang Bingren Deng Haishan | 2007 | Analytical Letters2007，40，16： | 1 |
| 19 | Determination of Tenacissoside A in rat plasma by liquid chromatography–tandem mass spectrometry method and its application to pharmacokinetic study显示文摘 | Luhua Zhao Bingren Xiang Jing Chen Xiying Tan Dawei Wang Daofeng Chen | 2009 | Journal of Chromatography B2009，，20： | 1 |
| 20 | Application of two-dimensional near-infrared correlation spectroscopy to the discrimination of Chinese herbal medicine of different geographic regions 显示文摘 | Jun Lu Bingren Xiang Hao Liu | 2008 | Spectrochimica Acta Part A2008，69，： | 1 |
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