二元混合脂质中单一脂质组分的熔融：FTIR光谱、DSC和蒙特卡罗模拟的比较
Melting of Single Lipid Components in Binary Lipid Mixtures: A Comparison between FTIR Spectroscopy, DSC and Monte Carlo Simulations
摘要：
采用Monte Carlo（MC）模拟、差示扫描量热（DSC）和傅里叶变换红外光谱（FTIR）研究了1，2-二肉豆蔻酰-D_（54）-sn-甘油-3-磷酸胆碱（DMPC-d_（54））和1，2-二硬脂酰-sn-甘油-3-磷酸胆碱（DSPC）双组分膜中单组分的熔融行为。可以使用FTIR研究单一脂质物质的温度依赖性熔融的微观信息。MC模拟的结果可以很好地描述所测量的微观行为。这些模拟还允许计算用DSC确定的热容曲线。这些光谱提供了FTIR无法获得的关于熔融态和熵变的宏观信息。因此，MC模拟使我们能够将FTIR和DSC这两种不同的实验方法联系起来。
英文摘要：
Monte Carlo (MC) Simulations, Differential Scanning Calorimetry (DSC) and Fourier Transform InfraRed (FTIR) spectroscopy were used to study the melting behavior of single lipid components in two-component membranes of 1,2-Dimyristoyl-D54-sn-Glycero-3-Phosphocholine (DMPC-d54) and 1,2-Distearoyl-sn-Glycero-3-Phosphocholine (DSPC). Microscopic information on the temperature dependent melting of the single lipid species could be investigated using FTIR. The microscopic behavior measured could be well described by the results from the MC simulations. These simulations also allowed to calculate heat capacity profiles as determined with DSC. These ones provide macroscopic information about melting enthalpies and entropy changes which are not accessible with FTIR. Therefore, the MC simulations allowed us to link the two different experimental approaches of FTIR and DSC.
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