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

Published: 14 Oct 2019 | Version 3 | DOI: 10.17632/jvy9s7y2yw.3
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Description of this data

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)

============================================================================

Experiment data files

Steps to reproduce

Full experimental parameters are included in the data files

Latest version

  • Version 3

    2019-10-14

    Published: 2019-10-14

    DOI: 10.17632/jvy9s7y2yw.3

    Cite this dataset

    Castañar, Laura; Morris, Gareth; Mendonça Barbosa, Thaís; Tormena, Cláudio; Moutzouri, Pinelopi; Nilsson, Mathias; Rittner, Roberto (2019), “Improving the Sensitivity of FESTA Methods for the Analysis of Fluorinated Mixtures”, Mendeley Data, v3 http://dx.doi.org/10.17632/jvy9s7y2yw.3

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Institutions

The University of Manchester, Universidade Estadual de Campinas

Categories

Nuclear Magnetic Resonance, Nuclear Magnetic Resonance Spectroscopy

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