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Tools and Methodologies for The Rapid Determination and Transfer of Thermodynamic Parameters used in the Prediction of Gas Chromatographic and Two Dimensional Comprehensive Gas Chromatographic Retention Times
DownloadFall 2014
Three parameter thermodynamic predictive models have been shown previously to provide superior accuracy in the prediction of gas chromatographic retention times in comparison to other forms of modelling such as retention indices. However, these models suffer from the need for extensive...
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Fall 2017
Advancements in data acquisition technologies and the desire for rich data has led to an increase in the size of data collected from modern analytical instruments. With the aid of chemometric techniques, researchers are still able to glean more useful information from these kinds of data than...
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New Approaches to Thermodynamics-based Predictive Modelling of Gas Chromatography and Comprehensive Two-dimensional Gas Chromatography
DownloadSpring 2019
Thermodynamics-based predictive models of retention in gas chromatography and comprehensive two-dimensional gas chromatography have been demonstrated to provide high prediction accuracy across a wide range of separation conditions. They generally predict better than retention index-based models...
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Decomposition and Feature Selection of Comprehensive 2-DimensionalGas Chromatography - Time-of-Flight Mass Spectrometry(GC×GC-TOFMS) Data
DownloadFall 2021
Comprehensive Two-Dimensional Gas Chromatography - Time-of-Flight Mass Spectrometry (GC×GC-TOFMS) is an advanced instrumental technique that separates complex mixtures along two chromatographic dimensions, followed by multivariate detection that collects mass spectral information at a high...