LAUSR

The design of experiments has been used for the development of highly efficient and accurate industrial application of quantitative nuclear magnetic resonance (qNMR) spectroscopy. Since these factors are highly dependent on the choice of proper data acquisition and data processing parameters, in this work, seven data acquisition and data processing parameters (excitation pulse width/duration, central frequency, number of scans, sample temperature, acquisition time, line broadening function, and inter scan delay) were investigated and optimized for quantitative proton NMR (qHNMR) experiments to ascertain optimal values. Box Behnken design of experiments was used to arrive at these values by performing minimum number of experiments. To test this methodology, decontamination formulation number two (DS2), a universal field decontaminating reagent of highly toxic chemical warfare agents, was used as a model mixture. Quantification of its components (methyl cellosolve and diethylene triamine) was performed with...