title: Determination of Kinetic Parameters within a Single Nonisothermal On-Flow Experiment by Nanoliter NMR Spectroscopy.
abstract: 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.
authors.affiliation: Instituto Regional de Investigación Cientifica Aplicada , Campus Universitario, Avenida Camilo José Cela s/n, 13071 Ciudad Real, Spain.
authors.forename: M Victoria
authors.initials: MV
authors.lastname: Gomez
authors.affiliation: Instituto Regional de Investigación Cientifica Aplicada , Campus Universitario, Avenida Camilo José Cela s/n, 13071 Ciudad Real, Spain.
authors.forename: Antonio M
authors.initials: AM
authors.lastname: Rodriguez
authors.affiliation: Instituto Regional de Investigación Cientifica Aplicada , Campus Universitario, Avenida Camilo José Cela s/n, 13071 Ciudad Real, Spain.
authors.forename: Antonio
authors.initials: A
authors.lastname: de la Hoz
authors.affiliation: Escuela Técnica Superior de Ingenieros (ETSI) Industriales, Universidad de Castilla-La Mancha , Avenida Camilo José Cela s/n, 13071 Ciudad Real, Spain.
authors.forename: Francisco
authors.initials: F
authors.lastname: Jimenez-Marquez
authors.affiliation: Instituto de Nanociencia de Aragon (INA), Universidad de Zaragoza , C/Mariano Esquillor s/n, 50018 Zaragoza, Spain.|Fundación Agencia Aragonesa para la Investigación y Desarrollo (ARAID) , C/María de Luna 11, 50018 Zaragoza, Spain.
authors.forename: Raluca M
authors.initials: RM
authors.lastname: Fratila
authors.forename: Peter A
authors.initials: PA
authors.lastname: Barneveld
authors.affiliation: Instituto Regional de Investigación Cientifica Aplicada , Campus Universitario, Avenida Camilo José Cela s/n, 13071 Ciudad Real, Spain.
authors.forename: Aldrik H
authors.initials: AH
authors.lastname: Velders