Equipment for Acquisition, Processing and Visualization of NMR Spectra

核磁共振波谱采集、处理和可视化设备

• 批准号: 9650943
• 负责人: Kenneth Williamson
• 金额: $ 5.5万
• 依托单位: Mount Holyoke College
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1996
• 资助国家: 美国
• 起止时间: 1996-06-01 至 1998-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9650943&HistoricalAwards=false
• 关键词: Equipment; Acquisition; Processing; Visualization; NMR

This project upgrades the data acquisition, control, and processing hardware and software on three nuclear magnetic resonance (NMR) spectrometers acquired in 1979, 1987, and 1989. The old computer hardware cannot be modified or updated. The software is not supported by the spectrometer vendors; it is outdated, slow, inflexible, and difficult for undergraduates to use. Off-line data processing is either not possible or extremely expensive with the old systems. The number of students who can be instructed simultaneously on the operation of the spectrometers is limited to the number who can crowd around the console. The objective of this project is to acquire new hardware and software that replaces the old operating systems of these spectrometers. This allows off-line processing and remote operation of the spectrometers which, coupled with data projection equipment, allows the teaching of spectrometer control, operation, and data reduction in a lecture setting. Off-line data processing greatly increases the number of spectra that can be run on a given day. There is a great demand for NMR spectra in organic chemistry, instrumental analysis, NMR, protein chemistry, and two inorganic courses. In addition, three faculty make extensive use of NMR in their research on biodegradable polymers, organometallic compounds, and studies on myoglobin mutants and complexes. New microscale problem-based undergraduate NMR experiments, combined with molecular modeling, are constantly being developed for the organic chemistry course. Faculty can disseminate the results of this project, especially new experiments, through homepages on the Internet, lectures, seminars, published research papers, and poster presentations at professional meetings, as well as through a widely used organic chemistry laboratory textbook.

该项目升级了1979年、1987年和1989年购买的三台核磁共振（NMR）光谱仪的数据采集、控制和处理硬件和软件。旧的计算机硬件不能修改或更新。该软件不受光谱仪供应商的支持;它过时，缓慢，不灵活，并且难以为本科生使用。对于旧系统，离线数据处理要么是不可能的，要么是极其昂贵的。可以同时指导光谱仪操作的学生人数限制在可以聚集在控制台周围的人数。 该项目的目标是获得新的硬件和软件，以取代这些光谱仪的旧操作系统。这允许离线处理和远程操作的光谱仪，再加上数据投影设备，允许教学的光谱仪控制，操作和数据减少在讲座设置。离线数据处理大大增加了在给定的一天可以运行的光谱的数量。 在有机化学、仪器分析、核磁共振、蛋白质化学和两门无机化学课程中，对核磁共振波谱的需求量很大。此外，三个学院在生物可降解聚合物，有机金属化合物的研究以及肌红蛋白突变体和复合物的研究中广泛使用NMR。新的微型问题为基础的本科NMR实验，结合分子建模，正在不断开发的有机化学课程。教师可以通过互联网上的主页，讲座，研讨会，发表的研究论文和专业会议上的海报展示以及广泛使用的有机化学实验教科书来传播该项目的结果，特别是新的实验。