INSPIRE Track 1: Intrinsic Oscillations in Supramolecular Assemblies: Novel Ultra-High Sensitivity Protein and Virus Detection

概述：该INSPIRE奖部分由工程局电气，通信和网络系统部的电子，光子学和磁性器件计划资助;以及数学和物理科学局化学部的化学结构，动力学和机制计划。目的：通过模拟和实验研究最近预测的类病毒粒子的自主振荡。显示这种振荡的生物系统的类型将被确定，并为纯科学和应用科学绘制的影响。 新的多尺度的理论方法将开发的模拟，和nanofluidic耦合结构将被制造为高灵敏度高分辨率的GHz到太赫兹detection of the oscillations.Intellectual merit：在微观和宏观世界之间的边界，持续的自主结构振荡的纳米结构将被调查。由于感兴趣的现象涉及长时间和短时间尺度过程，多尺度理论中的新概念将得到发展。 粗粒度的变量将共同进化的位置和动量的N原子使用Trotter因子分解与随之而来的精度控制。创新包括：（a）发现平衡介观系统中的持续自主振荡;（B）多尺度理论方法;（c）生物样品呈现和病毒样颗粒自主振荡的光谱鉴定;（d）病毒威胁检测和纳米医学设计方法;（e）自主振荡分子电路元件。更广泛的影响：成功的研究将彻底改变生物系统的结构生物化学和电磁学，并可能为威胁检测和人类健康的病毒传感提供彻底的改变。 开发了用于分子电子学和纳米医学系统的纳米结构材料的计算机辅助设计方法。为STEM教育中代表性不足的群体创造了机会。电气工程师了解非耗散振荡电路元件的重要性。化学家和物理学家在多尺度理论方面有专长。生物学家了解病毒样颗粒的反应。 很少有科学家欣赏所有这些主题。

Overview: This INSPIRE award is partially funded by the Electronics, Photonics, and Magnetics Devices Program in the Division of Electrical, Communications and Cyber Systems in the Directorate for Engineering; and the Chemical Structure, Dynamics and Mechanisms program in the Division of Chemistry in the Directorate for Mathematical and Physical Sciences. Objective: Recently predicted autonomous oscillations in virus-like particles are investigated via simulation and experiment. Types of biological systems displaying such oscillations will be identified, and implications for pure and applied sciences drawn. Novel multiscale theoretical methods will be developed for the simulations, and nanofluidic coupling structures will be fabricated for high-sensitivity high-resolution GHz-to-THz detection of the oscillations.Intellectual merit: At the boundary between the microscopic and macroscopic worlds, sustained autonomous structural oscillations in nanostructures will be investigated. As the phenomena of interest involve both long- and short-temporal scale processes, novel concepts in multiscale theory will be developed. Coarse-grained variables will be coevolved with the positions and momenta of the N atoms using Trotter factorization with attendant accuracy control. Innovations include: (a) discovery of sustained autonomous oscillations in equilibrium mesoscopic systems; (b) methods in multiscale theory; (c) biosample presentation and spectroscopic identification of autonomous oscillations in virus-like particles; (d) methods for viral threat detection and nanomedical design; and (e) autonomously oscillating molecular circuit elements. Broader impacts: A successful investigation will revolutionize structural biochemistry and the electromagnetics of biological systems, and could provide a radical change in viral sensing for threat-detection and human health. Methods for computer-aided design of nanostructured materials for molecular electronics and nanomedical systems are developed. Opportunities for under-represented groups in STEM education are created.Why Inspire?Electrical engineers understand the importance of nondissipative oscillatory circuit elements. Chemists and physicists have expertise in multiscale theory. Biologists understand the responses of virus-like particles. Few scientists appreciate all these topics.