Harding S E, Cölfen H
National Centre for Macromolecular Hydrodynamics, University of Nottingham, Sutton Bonington, United Kingdom.
Anal Biochem. 1995 Jun 10;228(1):131-42. doi: 10.1006/abio.1995.1324.
Explicit relations linking ellipsoid of revolution shape parameters with the axial ration (a/b) have been available for a long time. It is not possible to directly invert these functions to give a/b as a function of the shape parameter, so in the past graphical or tabular interpolation methods have been necessary. By the use of simple unconstrained polynomial expansions this restriction is no longer necessary. For the two salient hydration-dependent shape functions (P from the frictional ratio and v from the intrinsic viscosity) and the four salient hydration-independent shape functions (beta and R, both from sedimentation and viscosity measurements, and Lambda and Pi from combining viscosity measurements with respectively fluorescence depolarization or thermodynamic second virial coefficient measurements) the polynomial expansion coefficients (to no more than seventh order) are given for the ranges 1.1 < a/b < 2.0, 2 < 2/b < 10, and 10 < a/b < 100. The polynomial coefficients give an excellent fit to the real data values, except for four uninteresting cases (where the shape function is too insensitive for practical use).
将旋转椭球体形状参数与轴比(a/b)联系起来的明确关系已经存在很长时间了。不可能直接对这些函数求逆以得到作为形状参数函数的a/b,所以过去一直需要图形或表格插值方法。通过使用简单的无约束多项式展开,这种限制不再必要。对于两个与水合作用相关的显著形状函数(摩擦比的P和特性粘度的v)以及四个与水合作用无关的显著形状函数(沉降和粘度测量得到的β和R,以及分别将粘度测量与荧光去极化或热力学第二维里系数测量相结合得到的Λ和Π),给出了在1.1 < a/b < 2.0、2 < a/b < 10和10 < a/b < 100范围内不超过七阶的多项式展开系数。除了四种不感兴趣的情况(形状函数对实际应用过于不敏感)外,多项式系数与实际数据值拟合得非常好。