An investigation of tumor 1H nuclear magnetic resonance spectra by the application of chemometric techniques.

作者: S. L. Howells , R. J. Maxwell , A. C. Peet , J.R. Griffiths

DOI: 10.1002/MRM.1910280205

关键词:

摘要: 1H nuclear magnetic resonance (NMR) spectra of tumors and normal tissue include signals from all hydrogen-containing metabolites can therefore be considered multicomponent multivariate mixtures. We have obtained perchloric acid extracts three tissues (liver, kidney, spleen) five rat (GH3 prolactinoma, Morris hepatomas 7777 9618a, LBDS1 fibrosarcoma, Walker 256 carcinosarcoma). applied several different chemometric methods to analyze the data. First, we used principal component analysis, cluster an optimized artificial neural network develop a classification rule training set samples known origin or class. The was then assessed using unknown samples. were able successfully determine class each sample. Second, techniques factor analysis followed by target testing investigate underlying biochemical differences that are detected between classes samples.© 1992 Academic Press,Inc.

参考文章(23)
Raymond O. Keto, Philip L. Wineman, Detection of petroleum-based accelerants in fire debris by target compound gas chromatography/mass spectrometry Analytical Chemistry. ,vol. 63, pp. 1964- 1971 ,(1991) , 10.1021/AC00018A013
S. L. Howells, R. J. Maxwell, J. R. Griffiths, Classification of tumour 1H NMR spectra by pattern recognition. NMR in Biomedicine. ,vol. 5, pp. 59- 64 ,(1992) , 10.1002/NBM.1940050203
Klaus-Peter Neidig, Rainer Saffrich, Michael Lorenz, Hans Robert Kalbitzer, Cluster analysis and multiplet pattern recognition in two-dimensional NMR spectra Journal of Magnetic Resonance. ,vol. 89, pp. 543- 552 ,(1990) , 10.1016/0022-2364(90)90337-9
K. P. R. Gartland, S. M. Sanins, J. K. Nicholson, B. C. Sweatman, C. R. Beddell, J. C. Lindon, Pattern recognition analysis of high resolution 1H NMR spectra of urine. A nonlinear mapping approach to the classification of toxicological data. NMR in Biomedicine. ,vol. 3, pp. 166- 172 ,(1990) , 10.1002/NBM.1940030404
Joe H. Ward, Hierarchical Grouping to Optimize an Objective Function Journal of the American Statistical Association. ,vol. 58, pp. 236- 244 ,(1963) , 10.1080/01621459.1963.10500845
Z Mádi, B.U Meier, R.R Ernst, Detection of cross peaks in two-dimensional NMR by cluster analysis Journal of Magnetic Resonance. ,vol. 72, pp. 584- 590 ,(1987) , 10.1016/0022-2364(87)90167-3
B. R. Kowalski, T. F. Schatzki, F. H. Stross, Classification of archaeological artifacts by applying pattern recognition to trace element data Analytical Chemistry. ,vol. 44, pp. 2176- 2180 ,(1972) , 10.1021/AC60321A002