Behavior of fluids in complex environments

威斯康星大学麦迪逊分校的阿伦·耶特拉杰教授对复杂环境中流体的行为进行了研究。特别强调的是开发计算模型，使研究活细胞中的囊泡运输和凝胶中的蛋白质分离。这项研究依赖于一系列理论方法，包括统计力学、液态理论和计算机模拟。模拟依赖于蒙特卡罗和分子动力学技术。正在与一个试验组进行强有力的合作，以实现与测量结果的直接比较。一个强大的外展元素，旨在提高本科生的保留率，与研究目标密切相关。相似蛋白质的分离通常是通过利用吸附和通过凝胶或聚合物溶液等介质运输的微小差异来实现的。类似的物理相互作用介导了蛋白质的动力学和拥挤的活细胞中的动力学。对这些效应进行建模的最佳计算方法仍然是一个挑战，需要集中部署许多理论技术，如统计力学和液态理论，再加上计算分子动力学和蒙特卡罗方法。这项研究扩展了传统上用于模拟聚合物溶液的技术，以解决与生物学相关的类似问题。这样的模拟可以增强我们对化学过程如何使信号传递到神经系统和内分泌系统的理解。更传统的技术，如采油，将受到这项工作的影响。本研究包含了大量的本科生外展计划。

Professor Arun Yethiraj, of the University of Wisconsin-Madison, performs research on the behavior of fluids in complex environments. Particular emphasis is on developing computational models that enable investigation of vesicle transport in living cells and protein separation in gels. The research depends on an array of theoretical methods that include statistical mechanics, liquid-state theory and computer simulation. The simulations rely on Monte Carlo and molecular dynamical techniques. A strong cooperation with an experimental group is underway to achieve direct comparison with measured results. A strong outreach element, which aims to increase retention of undergraduate students is closely coupled to the research objectives.Separation of similar proteins is often achieved by taking advantage of small differences in adsorption and transport through a medium such as a gel or polymer solution. Similar physical interactions mediate the dynamics of proteins and dynamics in crowded living cells. The optimal computational approach to modeling such effects remains a challenge and requires the focused deployment of many theoretical techniques, such as statistical mechanics and liquid-state theory, coupled to the computational molecular dynamics and Monte Carlo methods. This research extends techniques that are traditionally used for modeling polymers in solution to similar problems that are biologically relevant. Such simulations may enhance our understanding of how chemical processes enable signal delivery to the nervous system and the endocrine system. More traditional technologies, such as oil recovery, will be impacted by this work. A substantial undergraduate outreach program is included in this research.