Supramolecular Characterization via Mass Spectrometry

摘要CHE-0615964 Dearden/Brigham Young这项由分析和表面化学计划资助的研究项目将专注于开发质谱学方法来检测和测量分子机器的性质，这些分子机器的直径比最细的一缕头发的直径小1000倍。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(超分子纳米设备)进行质谱分析采样，以探索它们的行为和功能。他们将把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。这项基础科学将为分子大小的容器等设备的开发奠定基础，这些容器有朝一日可能被用来将药物运送到需要它们的组织，或者用作信息存储设备。分子容器还可用于废物修复和资源回收，用于新能源的燃料储存，或用于开发用于国土安全、化工过程质量控制、环境监测等的高灵敏度、高选择性的化学探测器。还将研究典型的分子轮轴组件，最终目标是在基于纳米技术的计算机中开发简单的开关。所开发的技术也应该对“自然纳米技术”(生物学)的研究有用。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学技术的培训，这些技术对当前具有重大科学前景的领域至关重要，例如努力完全表征细胞中的蛋白质表达。此外，这项工作还将导致研究质谱学和带电分子基本行为的科学家与那些直接参与建造和应用纳米机器的科学家之间的重要交流，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.