IDBR: TYPE A: Auto-CATM Development: An Instrument for Dynamical Fingerprinting

位于布法罗的纽约的州立大学获得了一项奖励，以开发一种测量蛋白质内部振动的仪器。蛋白质是具有数千个原子的大分子，并执行大多数细胞功能。蛋白质由氨基酸长链组成，这些链折叠成特定的结构。一般来说，蛋白质必须改变它们的形状才能发挥它们的生物学功能。例如，血红蛋白，运输氧气的蛋白质，改变形状以使氧气结合。使这种形状变化的蛋白质结构的内部振动对于理解蛋白质功能至关重要。最近已经设计了一种方法来测量蛋白质的内部振动，称为晶体各向异性太赫兹显微镜（CATM）。在这个项目中的仪器和协议的发展使得CATM访问非专业人士，并使该技术的广泛应用。该仪器的开发导致了两名研究生和两名本科生的跨学科教育。与仪器开发相结合的是教育和推广活动，其中包括本科研讨会课程和为期一周的暑期课程，为来自代表性不足群体的7- 12年级内城学生。该项目的目标是生产一个紧凑的交钥匙光谱系统，用于蛋白质分子内振动的常规表征。被称为晶体各向异性太赫兹（THz）光谱（CATM）的技术独特地测量这些运动。Auto-CATM为非专家提供了快速轻松地对生物大分子进行分类和归类的能力。Zomega Terahertz Corp.的微型系统是最终仪器的起始平台。概念验证数据库、分子建模和数据可视化软件工具箱促进了这种新仪器的开发。该仪器提供了深入了解分子内振动如何受到经常修改的参数（如结合状态和温度）的影响。为Auto-CATM开发的技术还可以对大块和微米级材料进行新的快速测量，从而影响固态物理和材料科学。

An award is made to the State University of New York at Buffalo to develop an instrument to measure the internal vibrations of proteins. Proteins are large molecules with thousands of atoms and perform most cellular functions. Proteins consist of long chains of amino acids, and these chains fold into specific structures. In general, proteins must alter their shape in order to perform their biological function. For example, Hemoglobin, the protein that transports oxygen, changes shape in order for oxygen to bind. The internal vibrations of the protein structure that enable this change in shape are critical for understanding protein function. Recently a method has been devised to measure protein internal vibrations, called crystal anisotropic terahertz microscopy (CATM). The instrumentation and protocol development in this project makes CATM accessible to non-specialists, and enables broad application of the technique. The development of this instrument leads to the interdisciplinary education of two graduate students and two undergraduates. Integrated with the instrument development are educational and outreach activities that include an undergraduate seminar course and a week-long summer program for 7-12th grade inner city students from underrepresented groups. The goal of this project is to produce a compact turn-key spectroscopic system for the routine characterization of intramolecular vibrations of proteins. The technique called crystal anisotropic terahertz (THz) spectroscopy (CATM) uniquely measures these motions. Auto-CATM provides non-experts with the ability to quickly and easily categorize and classify biomacromolecules. The mini-system from Zomega Terahertz Corp. is the starting platform for the final instrument. A proof-of-concept database, and molecular modeling and data visualization software toolbox facilitate the development this new instrument. This instrument provides insights into how intramolecular vibrations are impacted by frequently modified parameters such as binding state and temperature. The technology developed for Auto-CATM also enable new rapid measurements for both bulk and micron scale materials and thus impact solid state physics and materials science.