Analysis of DOSY and GPC-NMR Experiments on Polymers by Multivariate Curve Resolution

Multivariate curve resolution (MCR) was successfully applied to the analysis of DOSY experiments on polymer mixtures and GPC-NMR experiments on industrial copolymer samples. MCR generates pure factors of spectral and concentration profiles using, successively, principal factor analysis, Varimax rotation, and alternating least-squares optimization. The method described is robust and can be directly applied to DOSY and GPC-NMR data and one obtains 1H NMR spectra of the individual compounds with their corresponding diffusion or elution profiles, respectively. Copyright 1998 Academic Press. Copyright 1998 Academic Press

[1]  W. Windig,et al.  Direct exponential curve resolution algorithm (DECRA): A novel application of the generalized rank annihilation method for a single spectral mixture data set with exponentially decaying contribution profiles , 1997 .

[2]  P. Griffiths,et al.  Global Least-Squares Analysis of Large, Correlated Spectral Data Sets: Application to Component-Resolved FT-PGSE NMR Spectroscopy , 1996 .

[3]  D. L. Massart,et al.  Eigenstructure tracking analysis for assessment of peak purity in high-performance liquid chromatography with diode array detection , 1995 .

[4]  Charles S. Johnson,et al.  Diffusion-ordered two-dimensional nuclear magnetic resonance spectroscopy , 1992 .

[5]  H. Gampp,et al.  Calculation of equilibrium constants from multiwavelength spectroscopic data-IV Model-free least-squares refinement by use of evolving factor analysis. , 1986, Talanta.

[6]  H. Gampp,et al.  Calculation of equilibrium constants from multiwavelength spectroscopic data-III Model-free analysis of spectrophotometric and ESR titrations. , 1985, Talanta.

[7]  G. Kateman,et al.  Three-component curve resolution in liquid chromatography with multiwavelength diode array detection , 1985 .

[8]  S. Provencher.  A constrained regularization method for inverting data represented by linear algebraic or integral equations , 1982 .

[9]  Edmund R. Malinowski,et al.  Factor Analysis in Chemistry , 1980 .

[10]  Edmund R. Malinowski,et al.  Theory of error in factor analysis , 1977 .

[11]  S. Provencher,et al.  An eigenfunction expansion method for the analysis of exponential decay curves , 1976 .

[12]  H. Kaiser.  The varimax criterion for analytic rotation in factor analysis , 1958 .

[13]  W. Windig,et al.  Generalized Rank Annihilation Method Applied to a Single Multicomponent Pulsed Gradient Spin Echo NMR Data Set , 1996 .

[14]  R. Tauler,et al.  Multivariate curve resolution applied to liquid chromatography—diode array detection , 1993 .

[15]  G. Kateman,et al.  Multicomponent self-modelling curve resolution in high-performance liquid chromatography by iterative target transformation analysis , 1985 .