Understanding the Role of Stochasticity in Chemical and Biological Processes

威廉马什大学的Anatoly Kolomeisky获得了化学系化学理论，模型和计算方法项目的奖项，从理论上研究各种化学和生物过程的作用。已知化学反应是随机或随机过程，即，产品出现前的时间多种多样，分布广泛。所有生命系统都依赖于大量的化学反应来支持和维持它们的活动。 然而，生物系统的高效率提出了一个问题，即随机的化学反应如何导致非常精确控制的生物过程。Kolomeisky教授提出，生物系统能够通过利用几种不同的机制来适当地调整随机化学过程。通过结合理论建模，先进的计算机模拟和广泛的生物信息学分析，他的研究小组研究了各种复杂的化学和生物系统的机制，以阐明随机性在分子水平上的作用。具体项目包括：确定细菌中细胞大小控制的分子起源;理解转录爆发的机制;揭示运动在癌症发生中的作用;以及研究异质催化化学反应的动力学。与实验和理论小组的密切合作使随机性的作用的新想法的测试，它促进了对这些复杂的自然过程的更深入的理解。 Kolomeisky教授正在为来自代表性不足群体的高中和本科生提供参与这项研究的机会，并为他们未来的职业生涯获得宝贵的培训和经验。为来访的女大学生和少数民族大学生设立了一个特别的暑期研究方案。外联活动还包括在当地学校举办化学展览，共同组织本科生化学研究专题讨论会，在当地咖啡馆举办公开讲座，并继续与科学作家合作，以传播这方面的知识，以广大公众。教授Kolomeisky专注于发展一个全面的理论描述随机效应在活细胞中产生的定量模型，为几个具体的生物和化学现象。他的团队的理论分析是由一个中心假设驱动的，即细胞能够通过使用两种主要策略来调整生化反应的随机性，当许多不同的随机过程耦合在一起以抵消不利的随机因素时，这涉及到集体效应。 他们还观察到随机过程与外部场（机械，电气等）的耦合。来控制随机特征。Kolomeisky教授将专门研究几个生物和化学过程，以量化每个过程中随机性的影响。这些过程进行了分析，使用各种理论工具，包括离散状态随机模型，首次通过分析，生物信息学方法，和广泛的蒙特卡洛计算机模拟。Kolomeisky教授开发的一个外展计划为当地高中生和来自代表性不足的少数群体的本科生提供了机会，通过特殊的夏季研究计划在学术环境中参与科学研究。Kolomeisky教授组织了一个化学研究生团队，在当地学校进行化学实验展示，并辅以流行的讲座，以提高对STEM主题的兴趣。该项目还突出了科学对社会的好处，通过在咖啡馆讨论的非正式环境中直接向当地社区介绍科学发现，以及与当地报纸的科学作家交流，并参与科学互联网博客讨论。该项目的更广泛影响包括为不同层次的年轻研究人员提供多学科培训计划，使他们为未来的技术和工业挑战做好更好的准备。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

Anatoly Kolomeisky of William Marsh University is supported by an award from the Chemical Theory, Models and Computational Methods program in the Division of Chemistry to theoretically investigate the role of various chemical and biological processes. It is known that chemical reactions are random or stochastic processes, i.e., the times before the products appear are varied and broadly distributed. All living systems rely on a large number chemical reactions to support and maintain their activities. The high efficiency of biological systems, however, raises a question of how random chemical reactions can lead to very precisely controlled biological processes. Professor Kolomeisky proposes that biological systems are able to properly tune the random chemical processes by utilizing several different mechanisms. By combining theoretical modeling, advanced computer simulations and extensive bioinformatics analysis, his research group investigates the mechanisms of various complex chemical and biological systems in order to clarify the role of randomness at the molecular level. Specific projects include: determination of the molecular origin of cell-size control in bacteria; understanding the mechanisms of transcription bursting; uncovering the role of motion in cancer initiation; and investigating the dynamics of heterogeneous catalytic chemical reactions. Close collaborations with experimental and theoretical groups enable testing of the new ideas on the role of randomness, and it promotes a deeper understanding of these complex natural processes. Professor Kolomeisky is providing opportunities for high school and undergraduate students from underrepresented groups to participate in this research and gain valuable training and experience for their future careers. A special summer research program for visiting female and minority undergraduate students is established. Outreach activities also include the presentation of chemical shows in local schools, co-organization of an undergraduate chemistry research symposium, public lectures delivered at local cafes, and continued collaboration with science writers in order to disseminate the this knowledge to a general public.Professor Kolomeisky focuses on developing a comprehensive theoretical description of stochastic effects in living cells by generating quantitative models for several specific biological and chemical phenomena. Theoretical analysis in his group is driven by a central hypothesis that cells are capable of tuning the randomness of biochemical reactions by using two main strategies, which involve a collective effect when many different stochastic processes are coupled together to cancel out the unfavorable random factors. They also observe a coupling of stochastic processes with external fields (mechanical, electrical, etc.) to control the random features. Professor Kolomeisky will specifically investigate several biological and chemical processes in order to quantify the effect of stochasticity in each of them. These processes are analyzed using a variety of theoretical tools including discrete-state stochastic models, first-passage analysis, bioinformatics methods, and extensive Monte Carlo computer simulations. An outreach program developed by Professor Kolomeisky provides the opportunity for local high-school students and undergraduate students from underrepresented minority groups to participate in scientific research in an academic setting via special summer research programs. Professor Kolomeisky organizes a team of chemistry graduate students to give chemical experiments shows in local schools, which are supplemented by popular lectures in order increase the interests in STEM topics. The project also highlights the benefits of science for society by directly presenting scientific findings to the local community in an informal setting of café discussions, as well as communicating with science writers in local newspapers and participating in scientific internet blog discussions. The broader impacts of this project include a multidisciplinary training program for young researchers of different levels that will prepare them better for future technological and industrial challenges.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.