Bayse Craig A
Department of Chemistry and Biochemistry, Old Dominion University, Hampton Boulevard, Norfolk, Virginia 23529, USA.
Inorg Chem. 2004 Feb 23;43(4):1208-10. doi: 10.1021/ic035283l.
Theoretical 77Se chemical shifts of a series of simple organoselenium compounds are compared to known NMR data for various derivatives of selenoenzymes and selenoamino acids. Since the theoretical data only differs from the biochemical data set by an overall approximately 15-30 ppm downfield shift, simple theoretical model studies are suggested as an additional tool for the interpretation of selenoenzyme spectra. Further studies demonstrate that model systems can be extended to incorporate the effects of intramolecular interactions (such as Se.N bonds).
将一系列简单有机硒化合物的理论77Se化学位移与已知的各种硒酶和硒代氨基酸衍生物的核磁共振数据进行了比较。由于理论数据与生化数据集的差异仅在于整体约15 - 30 ppm的向低场位移，因此建议将简单的理论模型研究作为解释硒酶光谱的额外工具。进一步的研究表明，模型系统可以扩展以纳入分子内相互作用（如Se.N键）的影响。
