徐路

化學計量學家

徐路,理學學士(湖南大學),理學博士(湖南大學,分析化學),中國化學會終身會員,碩士生導師。在分析多元校正理論、多元質量控制理論、中醫藥信息學等領域取得一系列突破,獲得國際學術界同行的認可,目前以第一作者/通訊作者在國外權威期刊發表SCI論文30餘篇(總影響因子>60),合作發表SCI論文共計40餘篇。

人物簡介


徐路,理學學士(湖南大學),理學博士(湖南大學,分析化學),中國化學會終身會員,碩士生導師。在分析多元校正理論、多元質量控制理論、中醫藥信息學等領域取得一系列突破,獲得國際學術界同行的認可,目前以第一作者/通訊作者在國外權威期刊發表SCI論文30餘篇(總影響因子>60),合作發表SCI論文共計40餘篇。

研究成果


(1)首次提出用回歸方法解決多元質量控制問題,建立了PLS類模型,與列入教科書的經典SIMCA方法相比,該模型操作更簡便,其化學意義更加清晰,在化學過程式控制制、化學模式識別、食品溯源、食品安全質量控制、食品摻雜假冒的無目標檢測等多個領域獲得了廣泛應用。
(2)在分析化學-多元校正理論的多個領域,包括校正理論框架、代表性樣本選擇、分析通道選擇與優化、分析信號預處理、模型複雜度估計、群專家模型等方面提出了一系列新思路和新方法,在光譜化學分析、統計學和機器學習等領域獲得關注和應用。
(3)西方現代藥學中的定量構效關係 (Quantitative Structure–Activity Relationship,QSAR)方法已在計算機藥物設計中舉足輕重。對中醫藥復方,此類方法尚屬空白。徐路與其合作者首次提出中藥復方的定量方效關係 (Quantitative Formula–Activity Relationship,QFAR)這一新概念,構建了通用和能反映中醫理論知識的中藥復方描述符體系。綜合考慮藥物的整體性質、功效和劑量,所提出的71個通用復方描述符,適用於任何傳統中藥復方,對祖國醫學的海量知識遺產進行計算機挖掘和歸納,為開發中藥復方的自動專家系統提供了理論基礎。

學術活動


擔任Analytica Chimica Acta, Journal of Agricultural and Food Chemistry, Journal of Chemometrics和Biometrika 等分析化學、化學計量學、生物計量學、應用統計學和農業食品科學等領域的國際權威雜誌特邀審稿人。徐路博士發表的學術著作獲得國內外同行的廣泛關注,來自澳大利亞、日本、印度、西班牙、波蘭、巴西、伊朗、義大利等國的研究同行多次專門致信就其研究工作進行諮詢和討論。

代表論著


以第一作者或通訊作者發表的SCI論著
1. Lu Xu(徐路), Li-Juan Tang, Chen-Bo Cai, Hai-Long Wu, Guo-Li Shen, Ru-Qin Yu*, Jian-Hui Jiang*,Chemometric methods for evaluation of chromatographic separation quality from two-way data—A review. Analytica Chimica Acta. 613 (2008) 121-134
2. Lu Xu(徐路), Xiao-Ping Yu, Xiu-Lian Lu, Yi-Hang Wu, Hai-Long Wu, Jian-Hui Jiang*,Guo-Li Shen, Ru-Qin Yu*. Parallel calibration revisited: The second direction for shrinkage estimation of regression coefficients can be as natural and necessary as the traditional one. Analytica Chimica Acta 644 (2009) 25–29
3. Lu Xu(徐路), Li-Juan Tang, Chen-Bo Cai, Hai-Long Wu, Jian-Hui Jiang*,Guo-Li Shen,Ru-Qin Yu*, Ensemble preprocessing of near-infrared (NIR) spectra for multivariate calibration. Analytica Chimica Acta 616 (2008 ) 138-143
4. Lu Xu(徐路),Zi-Hong Ye, Si-Min Yan, Peng-Tao Shi, Hai-Feng Cui, Xian-Shu Fu, Xiao-Ping Yu∗.Combining local wavelength information and ensemble learning to enhance the specificity of class modeling techniques: Identification of food geographical origins and adulteration. Analytica Chimica Acta 754 (2012) 31–38.
5. Lu Xu(徐路), Chen-Bo Cai, De-Hua Deng. Multivariate quality control solved by one-class partial least squares regression: identification of adulterated peanut oils bymid-infrared spectroscopy. Journal of Chemometrics 25 (2011) 568–574.
6. Lu Xu(徐路), De-Hua Deng, Chen Bo Cai. Predicting the Age and Type of Tuocha Tea by Fourier Transform Infrared Spectroscopy and Chemometric Data Analysis. Journal of Agricultural and Food Chemistry. 2011,59, 10461–10469.
7. Lu Xu(徐路)*, Peng-Tao Shi, Zi-Hong Ye, Si-Min Yan, Xiao-Ping Yu *.Rapid analysis of adulterations in Chinese lotus root powder (LRP) by near-infrared (NIR) spectroscopy coupled with chemometric class modeling techniques. Food Chemistry. 141, 2434–2439. 2013.
8. Lu Xu (徐路)*, Si-Min Yan, Chen-Bo Cai, Xiao-Ping Yu*.Untargeted detection and quantitative analysis of poplar balata (PB) in Chinese propolis by FT-NIR spectroscopy and chemometrics. Food Chemistry. 2013.
9. Lu Xu(徐路), De-Hua Deng, Jian-Hui Jiang, Ru-Qin Yu, Xiu-Mei Wu, Yu Zhao. Developing novel and general descriptors for traditional Chinese medicine (TCM)formulas: A case study of quantitative formula–activity relationship (QFAR) model for hypertension prescriptions. Chemometrics and Intelligent Laboratory Systems109 (2011) 186–191.
10. Lu Xu(徐路), Jian-Hui Jiang, Wei-Qi Lin, Yan-Ping Zhou, Ru-Qin Yu*, Optimized sample-weighted partial least squares. Talanta 71 (2007) 561-566.
11. Lu Xu(徐路), Jian-Hui Jiang, Hui Cui, Wei-Jian Xu, Hai-Long Wu, Guo-Li Shen, Ru-Qin Yu*,A criterion for evaluation of chromatographic separation efficiency based on chemometric data treatment: Peak-purity weighted resolution. Chemometrics and Intelligent Laboratory Systems85 (2007) 195-202.
12. Lu Xu(徐路), Jian-Hui Jiang, Yan-Ping Zhou, Hai-Long Wu, Guo-Li Shen, Ru-Qin Yu*, MCCV stacked regression for model combination and fast spectral interval selection in multivariate calibration. Chemometrics and Intelligent Laboratory Systems87 (2007) 226-230.
13. Lu Xu(徐路)Jian-Hui Jiang, Hai-Long Wu, Guo-Li Shen, Ru-Qin Yu* Variable-weighted PLS, Chemometrics and Intelligent Laboratory Systems85 (2007) 140-143.
14. Lu Xu(徐路),Q.-S. Xu, M. Yang,H.-Z. Zhang,C.-B. Cai,J.-H. Jiang,H.-L. Wu,R.-Q. Yu. On estimating model complexity and prediction errors in multivariate calibration: generalized resampling by random sample weighting (RSW). Journal of chemometrrics, 2011,25(2):51-58.
15. Lu Xu(徐路),Peng-Tao Shi, Zi-Hong Ye, Si-Min Yan, Chen-Bo Cai, Wei Zhong, Xiao-Ping Yu*.Rapid geographical origin analysis of pure West Lake lotus root powder (WL-LRP) by near-infrared spectroscopy combined with multivariate class modeling techniques. Food Research International 49 (2012) 771–777.
16. L. Xu(徐路),C.B. Cai, H.F. Cui, Z.H. Ye, X.P. Yu*.Rapid discrimination of pork in Halal and non-Halal Chinese ham sausages by Fourier transform infrared (FTIR) spectroscopy and chemometrics. Meat Science 92 (2012) 506–510.
17. Lu Xu(徐路), Zi-Hong Ye, Hai-Feng Cui,Xiao-Ping Yu,Chen-Bo Cai,Hong-Wei Yang.Calibrating the Shelf-life of Chinese Flavored Dry Tofu by FTIR Spectroscopy and Chemometrics: Effects of Data Preprocessing and Nonlinear Transformation on Multivariate Calibration Accuracy. Food Anal. Methods (2012) 5:1328–1334.
18. De-Hua Deng, Lu Xu(徐路*),Zi-Hong Ye,Hai-Feng Cui,Chen-Bo Cai,Xiao-Ping Yu*.FTIR Spectroscopy and Chemometric Class Modeling Techniques for Authentication of Chinese Sesame Oil. J Am Oil Chem Soc (2012) 89:1003–1009.
19. Lu Xu(徐路), Peng-Tao Shi,Xian-Shu Fu,Hai-Feng Cui,Zi-Hong Ye,Chen-Bo Cai,and Xiao-Ping Yu.Protected Geographical Indication Identification of a Chinese Green Tea (Anji-White) by Near-Infrared Spectroscopy and Chemometric Class Modeling Techniques. Journal of Spectroscopy.2013 (2013), 1-8.
20. Lu Xu (徐路) *, Si-Min Yan, Chen-Bo Cai, Xiao-Ping Yu*.One-class partial least squares (OCPLS) classifier. Chemometrics and Intelligent Laboratory Systems, 126,1–5. 2013.
21. Lu Xu (徐路), Si-Min Yan, Chen-Bo Cai, Xiao-Ping Yu*.Untargeted Detection of Illegal Adulterations in Chinese Glutinous Rice Flour (GRF) by NIR Spectroscopy and Chemometrics: Specificity of Detection Improved by Reducing Unnecessary Variations. Food Anal. Methods , Published online. 2013.
22. Lu Xu (徐路), Si-Min Yan, Chen-Bo Cai, Wei Zhong, and Xiao-Ping Yu*.Rapid Analysis of Geographical Origins and Age of Torreya grandis Seeds by NIR Spectroscopy and Pattern Recognition Methods. Journal of Spectroscopy, Volume 2013, Article ID 468509, 9 pages. 2013.
23. Xian-Shu Fu, Lu Xu(徐路,並列第一), Xiao-Ping Yu, Zi-Hong Ye, and Hai-Feng Cui.Robust and Automated Internal Quality Grading of a Chinese Green Tea (Longjing) by Near-Infrared Spectroscopy and Chemometrics Journal of Spectroscopy, Volume 2013, Article ID 139347, 7 pages. 2013.
24. 徐路,葉子弘,崔海峰,丁田田,王詩雨,俞曉平*,穩健偏最小二乘類模型及其在清真香腸紅外質量控制中的應用. 分析化學,40(2012)1429-1433.
25. 徐路,付海燕,姜寧,俞曉平。基於偏最小二乘回歸的類模型方法用於中藥牛黃的真偽鑒別. 分析化學 38 (2010) 175–180.
26. Lu Xu (徐路), Si-Min Yan, Zi-Hong Ye, Xian-Shu Fu, and Xiao-Ping Yu. Combining Electronic Tongue Array and Chemometrics for Discriminating the Specific Geographical Origins of Green Tea. Journal of Analytical Methods in Chemistry. Volume 2013,1-5.
27. Lu Xu(徐路), De-Hua Deng, Chen-Bo Cai, and Hong-Wei Yang. Automatic Discrimination of the Geographical Origins of Milks by Excitation-Emission Fluorescence Spectrometry and Chemometrics. Journal of Automated Methods and Management in Chemistry, 2011,1-6.
28. Lu Xu(徐路), Si-Min Yan, Chen-Bo Cai, Xiao-Ping Yu*, Jian-Hui Jiang, Hai-Long Wu and Ru-Qin Yu*.Nonlinear Multivariate Calibration of Shelf-Life of Preserved Eggs (Pidan) by Near Infrared Spectroscopy: Stacked Least Squares Support Vector Machine with Ensemble Preprocessing, Journal of Spectroscopy, Volume 2013, Article ID 797302, 7 pages.
29. Lu Xu(徐路),Si-Min Yan, Chen-Bo Cai, Zhen-JiWang, and Xiao-Ping Yu. The Feasibility of Using Near-Infrared Spectroscopy and Chemometrics for Untargeted Detection of Protein Adulteration in Yogurt: Removing Unwanted Variations in Pure Yogurt. Journal of Analytical Methods in Chemistry, Volume 2013, Article ID 201873, 9 pages.
30. Lu Xu, (徐路), Si-Min Yan,Chen-Bo Cai,Xiao-Ping Yu. Nondestructive Discrimination of Lead (Pb) in Preserved Eggs (Pidan) by Near-Infrared Spectroscopy and Chemometrics. Journal of Spectroscopy Volume 2014, Article ID 253143, 7 pages.