| Abstract
| - Multivariate curve resolution is proposed for the study ofcomplex chemical reactions monitored by two-dimensional (2D) NMR spectroscopy. In particular, in this work,multivariate curve resolution is applied to the study of thereaction between 15N-labeled cisplatin and the aminoacid−nucleotide hybrid (Phac-Met-linker-p5‘dG). At several stages of the reaction, 2D [1H,15N] HSQC NMRspectra were acquired and stored in data matrices. In afirst step, multivariate curve resolution was applied toanalyze individually each one of these 2D spectra, allowingthe resolution of the corresponding 1H and 15N one-dimensional correlation spectra. In a second step, thewhole set of 2D spectra recorded along the reaction weresimultaneously analyzed by multivariate curve resolution,allowing the resolution of the kinetic concentration profilesand of the pure 2D NMR spectra of each of the speciesdetected along the reaction. Results finally obtainedconfirmed previously postulated reaction mechanismsinvolving the existence of two monofunctional adducts andof two bifunctional adducts, with the structure of one ofthem not completely resolved.
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