Improving the Sensitivity of FESTA Methods for the Analysis of Fluorinated Mixtures

Published: 14-10-2019| Version 3 | DOI: 10.17632/jvy9s7y2yw.3
Contributors:
Laura Castanar,
Gareth Morris,
Thaís Mendonça Barbosa,
Cláudio Tormena,
Pinelopi Moutzouri,
Mathias Nilsson,
Roberto Rittner

Description

MODO-FESTA.zip folder contains a readme file, MODO- and SRI-FESTA Bruker pulse program codes (suitable for QNP probe) and experimental data described in the publication entitled "Improving the Sensitivity of FESTA Methods for the Analysis of Fluorinated Mixtures". ************************* EXPERIMENTAL DATA **************************************** Experimental data can be found here: \data\MODO-FESTA\nmr The experimental data provided here are those used and described in the main text and supporting information of the accompanying publication. Sample: mixture containing 1-chloro-1,1-difluoropentan-2-ol, dexamethasone, 2-fluorophenol, 3-fluorophenol and 4-fluorophenol in 0.7 mL of DMSO-d6. - Figure2 a) Experiment 1 - 1D 19F{1H} NMR of the mixture b) Experiment 2 - 1D 1H{19F} NMR of the mixture c) Experiment 3 - 1D 1H{19F} MODO-FESTA of 1-chloro-1,1-difluoropentan-2-ol d) Experiment 4 - 1D 1H{19F} MODO-FESTA of dexamethasone (H8) e) Experiment 5 - 1D 1H{19F} MODO-FESTA of dexamethasone (H11) f) Experiment 6 - 1D 1H{19F} MODO-FESTA of 2-fluorophenol g) Experiment 7 - 1D 1H{19F} MODO-FESTA of 3-fluorophenol h) Experiment 8 - 1D 1H{19F} MODO-FESTA of 4-fluorophenol - Figure3 a) Experiment 1 - 1D 19F{1H} NMR of the mixture b) Experiment 2 - 1D 1H{19F} NMR of the mixture c) Experiment 3 - 1D 1H{19F} MODO-FESTA of 1-chloro-1,1-difluoropentan-2-ol (1H selective pulse 11.66 ms) d) Experiment 4 - 1D 1H{19F} SRI-FESTA of 1-chloro-1,1-difluoropentan-2-ol (1H selective pulse 11.66 ms) e) Experiment 5 - 1D 1H{19F} MODO-FESTA of 1-chloro-1,1-difluoropentan-2-ol (1H selective pulse 2.33 ms) f) Experiment 6 - 1D 1H{19F} SRI-FESTA of 1-chloro-1,1-difluoropentan-2-ol (1H selective pulse 2.33 ms) - Figure4 a) Experiment 1 - 1D 19F{1H} NMR of the mixture b) Experiment 2 - 1D 1H{19F} NMR of the mixture c) Experiment 3 - 1D 1H{19F} MODO-FESTA of dexamethasone (H8) d) Experiment 4 - 1D 1H{19F} SRI-FESTA of dexamethasone (H8) - FigureS2 a) Experiment 1 - 1D 19F{1H} NMR of the mixture b) Experiment 2 - 1D 1H NMR of the mixture c) Experiment 3 - 1D 1H NMR of 1-chloro-1,1-difluoropentan-2-ol d) Experiment 4 - 1D 1H NMR of dexamethasone e) Experiment 5 - 1D 1H NMR of 2-fluorophenol f) Experiment 6 - 1D 1H NMR of 3-fluorophenol g) Experiment 7 - 1D 1H NMR of 4-fluorophenol *************** PULSE PROGRAM CODES ****************************** Bruker pulse program codes can be found here: \data\pp 1) MODO-FESTA_QNP (suitable for QNP probe) 2) SRI-FESTA_QNP (suitable for QNP probe) ============================================================================

Files

Steps to reproduce

Full experimental parameters are included in the data files