Laboratorio de Relaxometría y Técnicas Especiales, Grupo de Resonancia Magnética Nuclear, Facultad de Matemática, Astronomía y Física, Universidad Nacional de Córdoba and IFEG (CONICET), Córdoba, Argentina.
J Phys Chem B. 2011 Apr 7;115(13):3444-51. doi: 10.1021/jp2009034. Epub 2011 Mar 15.
New methods to study dynamics in lipid bilayers are of interest particularly where they may bridge the gap between conventional experimental techniques and molecular dynamics simulations. Fast field cycling nuclear magnetic resonance relaxometry can provide valuable information as it is sensitive to dynamic processes that occur over a broad time scale. By analysis of data recorded for large unilamellar liposomes composed of 1,2-dimyristoyl-sn-glycero-3-posphocholine (DMPC) or 1,2-dioleoyl-sn-glycero-3-posphocholine (DOPC) at different temperatures and sizes, we validate an evidence-based approach to studying dynamics by relaxometry. Specifically, the number and form of the spectral density contributions from a range of dynamic processes are determined. This success of the approach strongly suggests its general applicability for the study of dynamics in membranes of more complex composition and for parameterizing molecular dynamics simulations.
新的方法来研究双层脂质体的动力学是有趣的，特别是在它们可能弥合传统实验技术和分子动力学模拟之间的差距。快速现场循环核磁共振弛豫测量法可以提供有价值的信息，因为它对在广泛的时间尺度上发生的动态过程敏感。通过对由 1,2-二肉豆蔻酰-sn-甘油-3-磷酸胆碱（DMPC）或 1,2-二油酰-sn-甘油-3-磷酸胆碱（DOPC）组成的大单层脂质体在不同温度和大小下记录的数据进行分析，我们验证了通过弛豫测量法研究动力学的基于证据的方法。具体来说，确定了一系列动态过程的光谱密度贡献的数量和形式。这种方法的成功强烈表明，它可广泛应用于更复杂组成的膜的动力学研究，并可用于参数化分子动力学模拟。
