Gas Chromatography-Molecular Rotational Resonance Spectrometer

气相色谱-分子旋转共振光谱仪 NIH SBIR直接进入第二阶段 BrightSpec，Inc. 项目摘要 本项目提出了第一个商品化的气相色谱-分子色谱仪的开发。 用于复杂混合物分析表征的旋转共振(GC-MRR)光谱仪 例如生物体液和组织、天然产品或环境水源。MRR是一种 小分子化合物明确结构测定和定量的光谱技术 分子，已经在学术研究实验室使用了几十年，但直到最近才被使用 由BrightSpec商业化，受最近突破性创新的推动。主要优势 促使其并入气相色谱联用系统的MRR的关键是其 对同分异构体的选择性、绝对定量能力和鉴定 没有参考标准的未知数。GC-MRR不仅补充了现有的技术(如 如质谱学和核磁共振)，但也增加了新的见解，以增强在众多 研究领域。 一个概念验证的原型GC-MRR仪器已经被用来展示它的能力 用于拆分复杂混合物，包括共洗脱同位素和同位素异构体。这 前期工作已经降低了这个拟议的第二阶段项目的风险，在那里这个原型将得到改进 开发具有敏感度、速度和易用性的产品，以促进其 商业领养。这包括快速和精确测量的仪器硬件 分析物从色谱柱洗脱时的MRR光谱，以及软件 界面允许用户轻松设置测量、可视化数据和解释结果。这个 然后，产品将在GC-MRR所在市场区域的相关样本中进行彻底测试 预计将产生最大的影响。最后，经过广泛的评估，该产品 将改进设计，以便在授权期结束时或之前进行商业发射。 完成的GC-MRR产品承诺使许多突破性研究成为可能 高影响力的健康相关领域，包括代谢组学、天然产物药物发现以及 监测环境污染物等。

Gas Chromatography-Molecular Rotational Resonance Spectrometer NIH SBIR Direct to Phase II BrightSpec, Inc. Project Summary This project proposes the development of the first commercial gas chromatography-molecular rotational resonance (GC-MRR) spectrometer for analytical characterization of complex mixtures such as biological fluids and tissues, natural products, or environmental water sources. MRR is a spectroscopic technique for unambiguous structure determination and quantitation of small molecules, which has been used for decades in academic research laboratories but only recently commercialized by BrightSpec, driven by recent groundbreaking innovations. The key advantages of MRR motivating its incorporation into a gas chromatography hyphenated system are its selectivity to isomeric compounds, absolute quantitation capabilities, and identification of unknowns without reference standards. GC-MRR not only complements existing techniques (such as mass spectrometry and NMR), but also adds new insights to enhance discovery in numerous fields of research. A proof-of-concept prototype GC-MRR instrument has been used to demonstrate its capabilities to resolve complex mixtures, including co-eluting isotopologues and isotopomers. This preliminary work has de-risked this proposed Phase II project, where this prototype will be refined to develop a product with the sensitivity, speed, and ease-of-use necessary to facilitate its commercial adoption. This includes both the instrument hardware to quickly and precisely measure MRR spectra of analytes as they elute from the chromatographic column, and the software interface to allow users to easily set up measurements, visualize data, and interpret the results. The product will then be tested thoroughly on relevant samples in the market areas where GC-MRR is expected to have the greatest impact. Finally, following this extensive evaluation, the product design will be refined for commercial launch at or before the end of the grant period. The completed GC-MRR product holds the promise to enable breakthrough research in a number of high-impact health-related fields, including metabolomics, natural products drug discovery, and monitoring of environmental pollutants, among others.