Towards the understanding of the absorption spectra of NAD(P)H/NAD(P)+ as a common indicator of dehydrogenase enzymatic activity
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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DOI：
10.1016/j.cplett.2007.10.092
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发表时间：
2007-12-14
影响因子：
2.8
通讯作者：
Jacquemin, Denis
中科院分区：
文献类型：
--
作者：
De Ruyck, Jerome;Fameree, Maureen;Jacquemin, Denis
NAD（P）脱氢酶酶活性的分光光度法评价非常流行，因为还原形式（NAD（P）H）在340 nm处吸收，而芳族氧化形式不吸收。在这个联合的理论和实验研究中，我们确定了NAD（P）（+）和NAD（P）H形式的发色单位。还原时吸收的急剧变化主要与正电荷引起的占据轨道的稳定化有关，而不是前沿轨道的大小或形状的改变。此外，TD-DFT很好地再现了实验波长。(C)2007 Elsevier B. V.保留所有权利。
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. (C) 2007 Elsevier B.V. All rights reserved.