Stimuli-Responsive Soft Materials

刺激响应软材料

• 批准号: 2140225
• 负责人: Narayana Aluru
• 金额: $ 39.83万
• 依托单位: University of Texas at Austin
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-09-01 至 2024-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2140225&HistoricalAwards=false
• 关键词: Stimuli; Responsive; Soft; Materials

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.

油和水不混合，以两种不同的物质相存在。可以利用脂类、油和水等软物质混合物的相分离来生成脂涂层液滴或软颗粒。两个软颗粒可以通过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，如聚合物。当生物离子通道被结合到其中一个软颗粒中时，它自组装到脂质双层中形成通信通道，其中，例如，水和离子可以在软颗粒之间交换，并且该交换可以被诸如电场、机械力、pH等的外部刺激所调制。除了在两个软颗粒之间创建交换内容物的平台之外，外部刺激还可以在软颗粒中诱导机械变形。自组装的软颗粒可以感知外部刺激，创造合成的细胞样结构，区分反应和其他重要功能。尽管自组装软粒子具有巨大的技术影响，但自组装过程的机制，软粒子在各种刺激下的复杂变形，以及超越生物学已知的离子通道的功能尚不清楚。该项目将培训下一代科学家，以发展对刺激响应性软材料的力学的基本见解。该奖项还将支持本科生参与研究和教育，女性和少数族裔学生的参与，以及对K-12学生的推广。这项研究旨在了解刺激响应性软材料的自我组装和功能的机制。具体地说，将进行详细的原子计算，以了解自组装过程的分子力学，对刺激响应的软材料的机械行为，以及软粒子通过离子通道相互作用时的复杂相互作用。为了了解较大尺寸软粒子的力学，将进行基于迭代Boltzmann反转技术的粗粒度计算。为了计算对刺激响应的软材料的宏观性质，将执行多尺度计算，整合不同长度尺度上的现象。除了发展基础知识外，还将研究刺激响应性软材料的各种应用。预计该项目不仅将导致刺激响应性软材料力学方面的重大进步，还将使对离子通道的研究超越其在生物学中的已知功能。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。

项目成果

Data-Driven Approach to Coarse-Graining Simple Liquids in Confinement

限制中粗粒简单液体的数据驱动方法

• DOI: 10.1021/acs.jctc.3c00633
• 发表时间: 2023
• 期刊: Journal of Chemical Theory and Computation
• 影响因子: 5.5
• 作者: Nadkarni, Ishan;Wu, Haiyi;Aluru, Narayana R.
• 通讯作者: Aluru, Narayana R.

Phospholipid Monolayer/Graphene Interfaces: Curvature Effect on Lipid Morphology and Dynamics

磷脂单层/石墨烯界面：曲率对脂质形态和动力学的影响

• DOI: 10.1021/acs.jpcb.2c00896
• 发表时间: 2022
• 期刊: The Journal of Physical Chemistry B
• 作者: Dronadula, Mohan Teja;Aluru, N. R.
• 通讯作者: Aluru, N. R.

Activation of atomic transport via vibrational coupling-induced force fluctuations

• DOI: 10.1063/5.0160780
• 发表时间: 2023-08-28
• 期刊: APPLIED PHYSICS LETTERS
• 影响因子: 4
• 作者: Noh, Yechan;Aluru, N. R.
• 通讯作者: Aluru, N. R.

Extended DeepILST for Various Thermodynamic States and Applications in Coarse-Graining

适用于各种热力学状态和粗粒应用的扩展 DeepILST

• DOI: 10.1021/acs.jpca.1c10865
• 发表时间: 2022
• 期刊: The Journal of Physical Chemistry A
• 作者: Jeong, J.;Moradzadeh, A.;Aluru, N. R.
• 通讯作者: Aluru, N. R.

Nonlocal hydrodynamic model for gravity-driven transport in nanochannels

纳米通道中重力驱动传输的非局域流体动力学模型

• DOI: 10.1063/5.0089447
• 发表时间: 2022
• 期刊: The Journal of Chemical Physics
• 作者: Paul, Arghyadeep;Aluru, N. R.
• 通讯作者: Aluru, N. R.