RUI: A Search for Fundamental Principles Governing Spontaneous Activations of Chemical Excitable Media

霍夫斯特拉大学的哈罗德·黑斯廷斯和萨布丽娜·索贝尔共同主持了一项由化学学部理论和计算化学项目提供的RUI奖，开展了一项关于化学可兴奋介质的合作实验和理论研究项目，该项目可能是心脏组织的良好模型系统。该研究包括由Belousov-Zhabotinsky （BZ）反应、氯化亚氯酸-丙二酸（CIMA）反应和其他相关反应的Sobel教授领导的实验研究，以寻找根据化学反应支持兴奋性的能力分类化学反应的一般原则。目前，黑斯廷斯教授正在推导简化模型，并在结合Langevin方程、Master方程和分子动力学模拟等方法的基础上进行理论研究。这些理论和计算研究将有助于阐明不同长度和组织尺度的现象在这些非线性现象中的作用。本研究解决的一个具体问题是微观波动和异质性在引起兴奋性中的作用。特别是，正在研究化学放大这些波动的作用。总的来说，这项工作对非线性现象的理解以及对心脏病，特别是心室颤动的理解具有广泛的影响。这项工作的合作者是蒙大拿大学的理查德·菲尔德教授，他将本科生和高中生都纳入了研究的参与者。pi将通过其网站发布生成的计算机代码。

Harold Hastings and co-PI Sabrina Sobel of Hofstra University are supported by a RUI award from the Theoretical and Computational Chemistry program within the Division of Chemistry to carry out a collaborative experimental and theoretical research project on chemically excitable media that may be good model systems for cardiac tissue. The research involves a combination of experimental studies, led by Prof. Sobel of the Belousov-Zhabotinsky (BZ) reaction, the chlorite-iodide-malonic acid (CIMA) reaction and other related reactions to search for general principles for classifying chemical reactions in terms of their ability to support excitability. Reduced models are being derived and theoretical studies based on combining approaches involving Langevin equations, Master equations and molecular dynamics simulations are being carried out by Prof. Hastings. These theoretical and computational studies will help to elucidate the role of phenomena at different length and organizational scales in these nonlinear phenomena. One specific question being addressed by this research is the role of microscopic fluctuations and heterogeneities in giving rise to excitability. In particular, the role of chemical amplification of these fluctuations is being studied. The work is having a broad impact on the understanding of nonlinear phenomena, in general, and on the understanding of cardiac disease, particularly ventricular fibrillation. The work involves a collaborator, Prof. Richard Field of the University of Montana, and is incorporating both undergraduates and high school students as participants in the research. The PIs will distribute the resulting computer codes via their website.