(2)作用:在分子生物学领域中主要用于测定蛋白质的立体结构,也可用来测定核酸和多糖的立体结构。
(3)说明:The origin-independent velocity rotational strengths, weighted by the conformational populations given in Table 2, are plotted in Figure 15, together with the conformationally averaged ECD spectra, obtained by using Gaussian bandshapes6c with bandwidth parameters σ ) 0.2 and 0.4 eV. Both B3LYP and B3PW91 functionals give very similar ECD spectra. In both cases, the ECD spectrum exhibits an intense band at ∼300 nm, of positive sign for S-2, and weaker bands of oscillating sign at higher energies. The qualitative agreement with the experimental ECD of (+)-2 is excellent, and very bad for (-)-2, unambiguously confirming that the AC of 2 is S(+)/R(-)
文献来源:doi:10.1021/jo070302k