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The calculation of parameters of the Moffitt equation for rotatory dispersion data.旋转色散数据的莫菲特方程参数计算。
Biophys J. 1966 Jul;6(4):505-12. doi: 10.1016/S0006-3495(66)86672-9. Epub 2008 Dec 31.
2
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本文引用的文献

1
Optical rotation and the conformation of polypeptides and proteins.多肽和蛋白质的旋光性与构象
Adv Protein Chem. 1961;16:401-544. doi: 10.1016/s0065-3233(08)60033-9.
2
Statistical evaluation of the rotatory dispersion parameters for helical polymers and proteins: two proposed methods and their application to data on polyglutamic acid and plasma albumin.
Arch Biochem Biophys. 1963 Feb;100:260-9. doi: 10.1016/0003-9861(63)90070-5.
3
The effects of solvent environment on the optical rotatory dispersion parameters of polypeptides. II. Studies on poly-L-glutamic acid.溶剂环境对多肽旋光色散参数的影响。II. 聚-L-谷氨酸的研究。
Biophys J. 1965 Jul;5(4):573-89. doi: 10.1016/S0006-3495(65)86735-2.

旋转色散数据的莫菲特方程参数计算。

The calculation of parameters of the Moffitt equation for rotatory dispersion data.

作者信息

Detar D F

机构信息

Department of Chemistry and the Institute of Molecular Biophysics, Florida State University, Tallahassee, USA.

出版信息

Biophys J. 1966 Jul;6(4):505-12. doi: 10.1016/S0006-3495(66)86672-9. Epub 2008 Dec 31.

DOI:10.1016/S0006-3495(66)86672-9
PMID:19210973
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC1367964/
Abstract

The least squares calculation of the best values of the parameters of the Moffitt equation and of the Drude equation is examined. It is proved that the least squares evaluation of all three parameters of the Moffitt equation becomes indeterminate as the b(o) term approaches zero. Estimates of low helical content based on the Moffitt relationship are therefore also indeterminate and of dubious value. Both the size of b(o) and the range of wavelengths chosen affect the standard deviations of the parameters. The magnitude of the effects is illustrated by selected examples. The computer program OPTROT is available for evaluating the extent to which data may be correlated by the equations.

摘要

研究了莫菲特方程和德鲁德方程参数最佳值的最小二乘法计算。结果表明，当b(o)项趋近于零时，莫菲特方程所有三个参数的最小二乘评估变得不确定。因此，基于莫菲特关系对低螺旋含量的估计也是不确定的，且价值存疑。b(o)的大小和所选波长范围都会影响参数的标准差。通过选定的示例说明了影响的大小。计算机程序OPTROT可用于评估方程与数据的相关程度。