THEORETICAL STUDIES OF DYNAMICAL PROCESSES IN CHEMICAL PHYSICS AND BIOPHYSICS

在过去的一年里，研究的主要焦点一直是 扩散影响了反应。一项调查导致了一个新的时代 Berg和Purcell稳态理论的依赖版本 扩散影响配体与随机分布受体的结合 在细胞的表面。这些结果可能是有用的，例如， 研究细胞培养物被病毒感染的动力学。 一般理论的另一个应用是计算出时间 依赖电流到随机的微盘电极集合。这 对电分析化学有相当大的兴趣。一秒钟内 对一个模型进行了调查、理论和计算机模拟 对于其速率受熵势垒控制的化学反应 而不是更常见的潜在障碍。发展出的想法 这里可能有助于理解逃脱的动力学 血红素口袋里的肌红蛋白和血红蛋白上的配体。在三分之一 研究中，注意可逆的一般理论。 扩散影响了双分子反应。取得了相当大的进展 在制定可靠的理论方法方面取得了进展，而这一点 该方法正在通过一个简单模型的计算机模拟进行测试。

In the last year, the main focus of research has been on studies of diffusion influenced reactions. One investigation led to a new time dependent version of Berg and Purcell's steady state theory of diffusion influenced ligand binding to receptors randomly distributed on the surface of a cell. The results may be useful, for example, in treating the dynamics of the infection of a cell culture by a virus. Another application of the general theory was to work out the time dependent current to a random ensemble of microdisk electrodes. This is of considerable interest in electroanalytical chemistry. In a second investigation, theory and computer simulations were applied to a model for a chemical reaction whose rate is controlled by an entropy barrier rather than the more common potential barrier. The ideas developed here may be useful in understanding the dynamics of the escape of ligands from the heme pocket on myoglobin and hemoglobin. In a third investigation, attention is given to the general theory of reversible diffusion influenced bimolecular reactions. Considerable progress has been made in formulating a reliable theoretical approach, and this approach is being tested by computer simulations on a simple model.