MRI: Acquisition of a Comprehensive Multi-Dimensional Gas Chromatograph with Time-of-Flight Mass Spectrometry Detection (GCxGC-TOF MS)

斯佩尔曼学院化学系将从主要研究仪器(MRI)计划获得这一奖项，并将获得一台具有飞行时间质谱仪检测功能的多维气相色谱仪(GCxGC-TOF MS)，用于研究和教学。该仪器将用于有机、物理和分析化学以及生物/生物化学和化学计量学的各种研究项目。一个项目涉及对大量可能的气相色谱柱组合进行系统表征，以确定在标准操作程序和各种操作温度下每种类型的柱组的指纹图谱。GC/MS设备将用于确定混合物中分析物在每个单独色谱柱中的分配热力学，以便通过预测性多维保留模型建立一个数据库，用于色谱柱选择研究。从一维GC数据预测二维色谱图的能力将使该技术的潜在用户能够用他们目前的仪器评估GCxGC的优点。另一个项目涉及使用GCxGC/MS来协助表征正在开发的各种有机分子，这些有机分子是通过使用以实施绿色化学为目标的新型微波辅助有机合成协议而开发的。两个跨学科项目之一涉及用于多维色谱的数据挖掘和模式识别算法的开发。另一个跨学科项目将涉及使用多维气相色谱分析小分子生物分子。质谱仪(MS)是化学家和生化学家使用的一种分析技术，通过测量样品中分子组成的质量来确定样品的化学成分及其纯度。层析是一种分离技术，它先于质谱分析。它将混合物分离成几种化学成分，然后由质谱仪进行分析和鉴定。多维气相色谱(GCxGC)使用两个分离特性不同的分离柱来更好地分析复杂混合物。这一现代化的工具将促进本科生的研究教育和培训。它还将用于化学系的几门高级课程。将开发新的实验室练习，以利用该仪器产生的多维化学数据。

With this award from the Major Research Instrumentation (MRI) program, the Chemistry Department at Spelman College will acquire a multi-dimensional gas chromatograph with time-of-flight mass spectrometry detection (GCxGC-TOF MS) for use in research and education. The instrumentation will be used in various research projects in organic, physical and analytical chemistry as well as biology/biochemistry and chemometrics. One project involves the systematic characterization of a large number of possible gas chromatography column combinations to establish the fingerprints of each type of column set under standard operating procedures and various operating temperatures. The GC/MS equipment will be used to determine the thermodynamics of partitioning of the analytes in the mixture for each individual column in order to build a database for use in column selection studies through predictive multi-dimensional retention modeling. The ability to predict two-dimensional chromatograms from one-dimensional GC data will enable potential users of the technology to evaluate the merits of GCxGC with their current instrumentation. Another project involves the use of GCxGC/MS to assist in the characterization of a wide variety of organic molecules that are being developed through the use of novel microwave-assisted organic synthetic protocols that target an implementation of Green Chemistry. One of the two interdisciplinary projects involves the development of data mining and pattern recognition algorithms for use in multi-dimensional chromatography. The other interdisciplinary project will involve the use of multi-dimensional gas chromatography for the analysis of small molecular weight biomolecules.Mass spectrometry (MS) is an analytical technique used by chemists and biochemists to identify the chemical composition of a sample and its purity by measuring the mass of the molecular constituents in the sample. Chromatography is an isolation technique that precedes the mass spectrometry analysis. It separates a mixture into its several constituent chemicals which are then analyzed and identified by the mass spectrometer. Multi-dimensional gas chromatography (GCxGC) employs two separation columns with different separation characteristics to better analyze complicated mixtures. This modern instrumentation will improve the education and training of undergraduate students in research. It will also be used in several upper-level courses in the chemistry department. New laboratory exercises will be developed to take advantage of the multi-dimensional chemical data produced by the instrumentation.