Determination of Kinetic Parameters within a Single Nonisothermal On-Flow Experiment by Nanoliter NMR Spectroscopy

Conventional methods to determine the kinetic parameters for a certain reaction require multiple, separate isothermal experiments, resulting in time- and material-consuming processes. Here, an approach to determine the kinetic information within a single nonisothermal on-flow experiment is presented...

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Bibliographic Details
Published in:Analytical chemistry (Washington) 2015-10, Vol.87 (20), p.10547-10555
Main Authors: Gomez, M. Victoria, Rodriguez, Antonio M, de la Hoz, Antonio, Jimenez-Marquez, Francisco, Fratila, Raluca M, Barneveld, Peter A, Velders, Aldrik H
Format: Article
Language:English
Subjects:
BioNanoTechnologie
BioNanoTechnology
Chips
Derivatives
Experiments
Kinetics
Leerstoelgroep BioNanoTechnologie
Mathematical models
Microreactors
NMR
NMR spectroscopy
Nuclear magnetic resonance
Physical Chemistry and Soft Matter
Pyrazole
Reaction kinetics
Reactors
Spectrum analysis
VLAG
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Summary:Conventional methods to determine the kinetic parameters for a certain reaction require multiple, separate isothermal experiments, resulting in time- and material-consuming processes. Here, an approach to determine the kinetic information within a single nonisothermal on-flow experiment is presented, consuming less than 10 μmol of reagents and having a total measuring time of typically 10 min. This approach makes use of a microfluidic NMR chip hyphenated to a continuous-flow microreactor and is based on the capabilities of the NMR chip to analyze subnanomole quantities of material in the 25 nL detection volume. Importantly, useful data are acquired from the microreactor platform in specific isothermal and nonisothermal frames. A model fitting the experimental data enables rapid determination of kinetic parameters, as demonstrated for a library of isoxazole and pyrazole derivatives.
ISSN:0003-2700
1520-6882
DOI:10.1021/acs.analchem.5b02811