Towards the understanding of the absorption spectra of NAD(P)H/NAD(P)+ as a common indicator of dehydrogenase enzymatic activity

Jérôme De Ruyck, Maureen Famerée, Johan Wouters, Eric A. Perpète, Julien Preat, Denis Jacquemin

Research output: Contribution to journalArticlepeer-review

Abstract

The spectrophotometric evaluation of NAD(P) dehydrogenase enzymatic activity is very popular as the reduced form (NAD(P)H) absorbs at 340 nm, while the aromatic oxidised form does not. In this joint theoretical and experimental investigation, we identify the chromophoric unit of both the NAD(P)+ and NAD(P)H forms. Rather than a modification of size or shape of the frontier orbitals, the sharp variation in the absorption upon reduction is mainly related to the stabilisation of the occupied orbitals due to the positive charge. In addition, TD-DFT nicely reproduces the experimental wavelengths.

Original languageEnglish
Pages (from-to)119-122
Number of pages4
JournalChemical Physics Letters
Volume450
Issue number1-3
DOIs
Publication statusPublished - 14 Dec 2007

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