Molybdoenzyme model system

Singular value decomposition (SVD) analysis on spectro-photometric data obtained from an oxygen atom transfer (OAT) reaction involving a molybdoenzyme model system is reported. Specifically, the rate of solvolysis reaction of a phosphoryl intermediate complex has been compared with independent measurements. The SVD derived reaction rates are consistent with other measurements. This generalized approach is applicable in examining other bioinorganic reactions, and data processing. 

Here we described the application of SVD toward understanding the OAT reactivity of a well-defined molybdoenzyme model system. The SVD algorithm produces rate constants that are comparable with the single wavelength measurement or NMR methods, provided that each step in the reaction occurs on a similar time scale. The algorithm does exceptionally well at the prediction of the pure component spectra and detection of key absorption bands. 

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