细胞膜低温损伤机理的分子动力学研究

Molecular Dynamics Study on the Mechanism of Cell Membrane Cryopreservation Injury

中文关键词: 低温生物学  分子动力学  细胞冻存  损伤机理

英文关键词: cryobiology  molecular dynamics  cell cryopreservation  damage mechanism

中文摘要:

      细胞膜低温损伤机理的研究有助于改进低温保护剂，提高生物材料冻存效率。利用分子动力学方法，构建含蛋白质的生物膜模型，对不同环境温度下的膜状态进行模拟计算，从能量角度探讨细胞膜在低温环境中的损伤机理。结果表明：在膜蛋白系统各能量中，范德瓦尔兹势能稳定性最差；同纯膜系统对比，考虑蛋白质对膜结构的影响后，各能量稳定值的波动范围均有不同程度的降低，范德瓦尔兹势能从23.0%降低至6.2%，键伸缩势能从5.6%降低至4.2%，键角弯曲势能从2.2%降低至1.9%，二面角势1.5%降低至1.0%，相比纯膜系统，膜蛋白系统能量稳定性更好。对于膜系统而言，减少分子间作用力波动是提高低温冻存保护效果，减少细胞膜低温损伤的关键。

英文摘要:

      The study of the mechanism of low-temperature damage to cell membranes can help improve low-temperature protective agents and enhance the cryopreservation efficiency of bio-materials. Using molecular dynamics methods, a protein containing biofilm model was constructed and comp[]ared with a pure membrane system to simulate the membrane state under different environmental temperatures and pressures. The damage mechanism of cell membranes in low-temperature environments was explored from an energy perspective. The results indicate that among the various energies of the membrane protein system, the stability of VDW potential energy is the worst; After considering the influence of proteins on membrane structure, the fluctuation range of various energy stability values has been reduced to varying degrees. The VDW potential energy has decreased from 23.0% to 6.2%, the bonding potential energy has decreased from 5.6% to 4.2%, the bonding angle potential has decreased from 2.2% to 1.9%, and the DIHED potential energy has decreased from 1.5% to 1.0%. Compared with pure membrane systems, membrane protein systems have better energy stability.