温度对激发的腺和腺的内部转换的影响
Ritam Mansour1, Josene M Toldo1, Saikat Mukherjee1
1Aix Marseille University, CNRS, ICR, Marseille, France. josene-maria.toldo@univ-amu.fr.
Physical chemistry chemical physics : PCCP
|October 6, 2023
概括
腺的兴奋状态寿命是温度独立的,与腺不同. 这种差异是由于振动能量转移到核糖组,这减缓了在较低温度下氨酸的内部转化.
科学领域:
- * 生物物理 生物物理
- * 物理化学 物理化学
- * 计算化学 计算机化学
背景情况:
- *实验研究表明,氨酸的兴奋状态寿命与温度无关.
- * 腺素的兴奋状态生命周期表现出强烈的非阿雷尼乌斯温度依赖性.
- * enosine对温度敏感性的潜在机制仍然无法解释.
研究的目的:
- * 阐明了腺因和腺激发状态生命周期的温度依赖性.
- * 研究分子内振动能量转移在这些过程中的作用.
- *以计算方式建模和解释观察到的实验现象.
主要方法:
- *使用表面跳跃模拟来模拟分子动力学.
- * 在0K和400K的模拟气相腺因和腺.
- * 采用了维格纳采样,对初始条件进行了热校正.
主要成果:
- * 已证实氨酸的兴奋状态寿命不受温度的影响.
- * 已证明腺的寿命取决于温度.
- * 确定了从腺因转移到核糖的内分子振动能量转移作为关键因素.
结论:
- * 氨酸的温度依赖源于振动能量转移到核糖部分.
- *这种转移在0K时抑制了内部转化,与400K相比,寿命延长了2.3倍.
- * 计算机建模排除了粘度作为一个贡献因素.
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