Understanding the Role of Stochasticity in Chemical and Biological Processes

威廉·马什大学的Anatoly Kolomeisky得到了化学部化学理论、模型和计算方法项目的支持，从理论上研究各种化学和生物过程的作用。众所周知，化学反应是随机的或随机的过程，即产物出现之前的时间是变化的和广泛分布的。所有的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，生物系统的高效率引发了一个问题，即随机化学反应如何导致非常精确的生物过程控制。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节随机的化学过程。通过理论建模、先进的计算机模拟和广泛的生物信息学分析相结合，他的研究小组研究了各种复杂的化学和生物系统的机制，以澄清分子水平上的随机性的作用。具体项目包括：确定细菌细胞大小控制的分子起源；了解转录爆发的机制；揭示运动在癌症启动中的作用；以及调查多相催化化学反应的动力学。与实验和理论小组的密切合作能够测试关于随机性作用的新想法，并促进对这些复杂的自然过程的更深层次的理解。Kolomeisky教授正在为来自代表性不足群体的高中生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。为来访的女本科生和少数民族本科生设立了专门的暑期研究项目。外展活动还包括在当地学校展示化学，共同组织本科生化学研究研讨会，在当地咖啡馆发表公开演讲，以及继续与科学作家合作，向公众传播这些知识。Kolomeisky教授专注于通过为几个特定的生物和化学现象建立量化模型来发展对活细胞中随机效应的全面理论描述。他的团队的理论分析是由一个中心假设推动的，即细胞能够通过使用两种主要策略来调节生化反应的随机性，这两种策略涉及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的集体效应。他们还观察到随机过程与外场(机械、电气等)的耦合。以控制随机特征。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。使用各种理论工具分析这些过程，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罗计算机模拟。科洛梅斯基教授开发了一个外展项目，通过特别的暑期研究项目，为当地高中生和来自少数族裔群体的本科生提供在学术环境中参与科学研究的机会。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，并辅之以流行的讲座，以增加人们对STEM主题的兴趣。该项目还通过在非正式的咖啡馆讨论中直接向当地社区介绍科学发现，以及与当地报纸上的科学作者交流和参加科学互联网博客讨论，突出了科学对社会的好处。该项目的更广泛影响包括为不同水平的年轻研究人员提供多学科培训计划，使他们更好地为未来的技术和工业挑战做好准备。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势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.