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

概述：该INSPIRE奖的部分资金来自工程局电气、通信和网络系统司的电子、光子学和磁性器件计划，以及数学和物理科学局化学司的化学结构、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。将确定显示这种振荡的生物系统的类型，并得出对理论科学和应用科学的影响。将开发新的多尺度理论方法进行模拟，并将制造纳米流体耦合结构以高灵敏度、高分辨率地检测从GHz到THz的振荡。智力优势：在微观和宏观世界之间的边界，将研究纳米结构中持续的自主结构振荡。由于感兴趣的现象既涉及长时间尺度过程，也涉及短时间尺度过程，多尺度理论中的新概念将被发展。粗粒度变量将与N原子的位置和动量共同进化，使用Trotter因式分解并伴随着精度控制。创新包括：(A)发现平衡介观系统中持续的自主振荡；(B)多尺度理论中的方法；(C)生物样品展示和病毒样颗粒中自主振荡的光谱鉴定；(D)病毒威胁检测和纳米医学设计的方法；以及(E)自主振荡的分子电路元件。更广泛的影响：一项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检测提供根本性的改变。发展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。代表不足的群体在STEM教育中的机会被创造了。为什么要激励？电气工程师理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拥有专业知识。生物学家了解病毒样颗粒的反应。很少有科学家能理解所有这些话题。

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.