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

Hofstra大学的Harold Hastings和co-PI Sabrina Sobel得到了化学系理论和计算化学项目的RUI奖的支持，以开展关于化学可激发介质的合作实验和理论研究项目，这些介质可能是心脏组织的良好模型系统。 该研究涉及由Sobel教授领导的Belousov-Zhabotinsky（BZ）反应，亚氯酸盐-碘化物-丙二酸（CIMA）反应和其他相关反应的实验研究的组合，以寻找根据其支持兴奋性的能力对化学反应进行分类的一般原则。 Hastings教授正在推导简化模型，并正在进行基于朗之万方程、主方程和分子动力学模拟相结合的方法的理论研究。 这些理论和计算的研究将有助于阐明在这些非线性现象中，在不同的长度和组织尺度的现象的作用。 这项研究正在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，正在研究这些波动的化学放大作用。 这项工作对非线性现象的理解产生了广泛的影响，一般来说，对心脏病的理解，特别是心室颤动。 这项工作涉及合作者，蒙大拿大学的Richard Field教授，并将本科生和高中生作为研究的参与者。 PI将通过其网站分发由此产生的计算机代码。

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.