Stimuli-Responsive Soft Materials

油和水不混合，作为物质的两个独立相存在。软物质混合物如脂质、油和水的相分离可用于产生脂质包被的液滴或软颗粒。两个软颗粒可以与连接两个软颗粒的脂质双层自组装。软颗粒组合物还可以包括更复杂的物质，例如聚合物。当将生物离子通道结合到一个软颗粒中时，它自组装到脂质双层中，形成连通通道，其中，例如，水和离子可以在软颗粒之间交换，并且交换可以通过外部刺激如电场、机械力、pH等来调节。除了在两个软颗粒之间产生内容物交换的平台之外，外部刺激也可在软颗粒中引起机械变形。自组装的软颗粒可以感知外部刺激，创造合成细胞样结构，区室化反应和其他重要功能。尽管自组装软粒子的巨大技术影响，自组装过程的力学，软粒子在各种刺激下的复杂变形，以及超出生物学已知的离子通道的功能尚不清楚。该项目将培养下一代科学家，以发展对刺激响应软材料力学的基本见解。该奖项还将支持本科生参与研究和教育，女性和少数民族学生的参与，以及K-12学生的推广。该研究旨在了解自组装的力学和刺激响应软材料的功能。具体而言，将进行详细的原子计算，以了解自组装过程的分子力学，刺激响应软材料的机械行为，以及软颗粒之间通过离子通道相互作用时的复杂相互作用。为了理解较大尺寸的软颗粒的力学，将进行基于迭代玻尔兹曼反演技术的粗粒度计算。为了计算刺激响应软材料的宏观特性，将进行多尺度计算，将各种长度尺度的现象整合在一起。除了发展基础知识外，还将研究刺激响应软材料的各种应用。预计该项目不仅将导致刺激响应软材料力学的重大进展，而且还将使离子通道的研究超越其在生物学中已知的功能。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。

Oil and water don't mix and exist as two separate phases of matter. Phase separation of soft matter mixtures such as lipids, oil and water can be exploited to create lipid coated droplets or soft particles. Two soft particles can self-assemble with a lipid bilayer connecting the two soft particles. The soft particle composition can also include more complex matter such as polymers. When a biological ion channel is incorporated into one of the soft particles, it self-assembles into the lipid bilayer forming a communication channel, where, for example, water and ions can be exchanged between the soft particles, and the exchange can be modulated by an external stimulus such as an electric field, mechanical force, pH, etc. In addition to creating a platform for exchange of contents between the two soft particles, the external stimulus can also induce mechanical deformations in the soft particles. Self-assembled soft particles can enable sensing of external stimuli, creation of synthetic cell-like structures, compartmentalized reactions and other important functions. In spite of tremendous technological impact of self-assembled soft particles, the mechanics of the self-assembly process, complex deformations of soft particles under various stimuli, and the functionality of ion channels beyond what is already known in biology are not clear. This project will train next generation scientists to develop fundamental insights into mechanics of stimuli-responsive soft materials. This award will also support inclusion of undergraduate students in research and education, engagement of women and minority students, and outreach to K-12 students.This research aims to understand the mechanics of self-assembly and functionality of stimuli-responsive soft materials. Specifically, detailed atomistic calculations will be performed to understand the molecular mechanics of the self-assembly process, mechanical behavior of stimuli-responsive soft materials, and complex interactions between soft particles when they interact via ion channels. To understand the mechanics of larger size soft particles, coarse-grained calculations, based on the iterative Boltzmann inversion technique, will be performed. To compute macroscopic properties of stimuli-responsive soft materials, multiscale calculations integrating phenomena at various length scales will be performed. In addition to developing fundamental knowledge, various applications of stimuli-responsive soft materials will be investigated. It is anticipated that this project will not only lead to significant advances in mechanics of stimuli-responsive soft materials but also enable studies of ion channels beyond their known functionality in biology.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.