Supramolecular Characterization via Mass Spectrometry

这个研究项目由分析和表面化学项目资助，将集中于质谱方法的发展，以检测和测量比最细的头发丝直径小1000倍的分子机器的特性。 杨百翰大学的大卫·V·迪尔登教授和他的团队将开发新的方法，对脆弱的分子组装体（“超分子纳米器件”）进行质谱采样，以探测它们的行为和功能。 他们将测量结果与相同设备的模型结果进行比较，以测试模型的预测能力。这一基础科学将为开发分子大小的容器等设备奠定基础，这些设备有朝一日可能会用于将药物输送到需要的组织中，或者作为信息存储设备。 分子容器也可以应用于废物修复和资源回收，在燃料储存的新能源，或在开发高灵敏度，高选择性的化学探测器用于国土安全，化学过程质量控制，环境监测等原型分子轮轴组件也将进行研究，最终目标是开发简单的开关在纳米技术为基础的计算机。 所开发的技术对“自然的纳米技术”（生物学）的研究也应该是有用的。拟议的工作将具有重要的教育效益。 研究生和本科生将接受高性能质谱技术的培训，这些技术对当前具有巨大科学前景的领域至关重要，例如完全表征细胞中蛋白质表达的努力。 这项工作还将导致研究质谱和带电分子基本行为的科学家与直接参与构建和应用纳米机器的科学家之间的重要交叉，加强和提高两个小组所做的科学。

ABSTRACT CHE-0615964 Dearden/Brigham YoungThis research project funded by the Analytical and Surface Chemistry program will focus on the development of mass spectrometric methods to detect and measure the properties of molecular machines that are 1000 times smaller than the diameter of the finest strand of hair. Prof. David V. Dearden and his group at Brigham Young University will develop new methods for mass spectrometric sampling of fragile assemblies of molecules ("supramolecular nanodevices") in order to probe their behavior and function. They will compare the measurements with results of models of the same devices in order to test the predictive capabilities of the models. This basic science will lay a foundation for the development of such devices as molecule-sized containers that might one day be used to deliver pharmaceuticals to tissues where they are needed, or as information storage devices. Molecular containers could also be applied in waste remediation and resource recovery, in fuel storage for new sources of energy, or in the development of highly sensitive, highly selective chemical detectors for use in homeland security, chemical process quality control, environmental monitoring, etc. Prototypical molecular wheel-and-axle assemblies will also be studied, with an eventual aim of developing simple switches in nanotech-based computers. The techniques developed should also be useful for the study of "nature's nanotechnology" (biology).The proposed work will have important educational benefits. Graduate and undergraduate students will be trained in high performance mass spectrometry techniques that are crucial to current areas of great scientific promise, such as the effort to completely characterize protein expression in cells. This work will in addition lead to important cross-fertilization between scientists who study mass spectrometry and the fundamental behavior of charged molecules, and those who are directly involved in building and applying nanomachines, strengthening and enhancing the science done by both groups.