Vaz M J, Vaz N A, Doane J W, Westerman P W
Biophys J. 1979 Nov;28(2):327-38. doi: 10.1016/S0006-3495(79)85180-2.
An order parameter-based interpretation is applied to the temperature dependence of the deuterium magnetic resonance splittings and the anisotropic contribution to the chemical shift for 31P from the head groups of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC). It is shown that the rotational motion of the molecule about its long axis is not a free rotational motion as normally assumed, but instead a biased one. Changes in the degree of biasing appear to be primarily responsible for the variation of the NMR spectra with temperature. The degree of biasing is described by orientational order parameters. With the use of these order parameters, it is shown that the temperature dependence of the anisotropic contribution to the chemical shift for 31P can be predicted from that of the deuterium quadrupole splittings.
基于序参量的解释被应用于氘磁共振分裂的温度依赖性以及1,2 - 二棕榈酰 - sn - 甘油 - 3 - 磷酸胆碱(DPPC)头部基团中31P化学位移的各向异性贡献。结果表明,分子绕其长轴的旋转运动并非如通常所假设的自由旋转运动,而是一种有偏向性的运动。偏向程度的变化似乎是导致核磁共振谱随温度变化的主要原因。偏向程度由取向序参量来描述。通过使用这些序参量,结果表明31P化学位移各向异性贡献的温度依赖性可以从氘四极分裂的温度依赖性预测得出。