Pavlov M Iu, Fedorov B A
Biofizika. 1986 Nov-Dec;31(6):964-71.
A method is proposed for calculating wide-angle neutron scattering curves of biopolymers at any fraction of heavy water (D2O) in solution. The method permits to accurately take into account the phenomenon of deuteroexchange. By this method neutron scattering curves of proteins and DNA have been calculated. The calculations have shown that at optimal fractions of D2O in solution the profiles of neutron scattering curves and their sensitivity to conformational rearrangements in protein molecules turned out to differ very little from those of corresponding X-ray curves. Thus the neutron scattering curves do not contain any additional information (as compared with those contained in X-ray scattering curves) on the structure of proteins in solution. On the contrary, neutron and X-ray scattering curves of DNA differ significantly at all fractions of D2O in solution and therefore the methods of wide-angle neutron and X-ray scattering could become mutually complementary in studying the structure of nucleic acids in solution.
提出了一种计算生物聚合物在溶液中任何重水（D₂O）比例下的广角中子散射曲线的方法。该方法能够准确考虑氘交换现象。通过此方法计算了蛋白质和DNA的中子散射曲线。计算结果表明，在溶液中D₂O的最佳比例下，中子散射曲线的轮廓及其对蛋白质分子构象重排的敏感性与相应的X射线曲线的差异非常小。因此，中子散射曲线（与X射线散射曲线相比）不包含关于溶液中蛋白质结构的任何额外信息。相反，在溶液中所有D₂O比例下，DNA的中子和X射线散射曲线都有显著差异，因此广角中子散射和X射线散射方法在研究溶液中核酸结构时可能会相互补充。
