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

doi:10.1016/j.cplett.2007.10.092

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

Unit of theoretical and structural physico-chemistry

Research output: Contribution to journal › Article › peer-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 language	English
Pages (from-to)	119-122
Number of pages	4
Journal	Chemical Physics Letters
Volume	450
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2007.10.092
Publication status	Published - 14 Dec 2007

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10.1016/j.cplett.2007.10.092

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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.",

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AU - De Ruyck, Jérôme

AU - Famerée, Maureen

AU - Wouters, Johan

AU - Perpète, Eric A.

AU - Preat, Julien

AU - Jacquemin, Denis

PY - 2007/12/14

Y1 - 2007/12/14

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AB - 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.

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VL - 450

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-3

ER -

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

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