Fig. 2: Room temperature, natural abundance 13C as well as 19F DNP enhanced NMR spectra of small molecules. | Nature Communications

Fig. 2: Room temperature, natural abundance 13C as well as 19F DNP enhanced NMR spectra of small molecules.

From: Overhauser enhanced liquid state nuclear magnetic resonance spectroscopy in one and two dimensions

Fig. 2

a E-2-hexenyl acetate 6 (c ≈ 500 mM, in CCl4), DNP red, 128 scans, Boltzmann blue, 1024 scans. b NMR spectrum of an inhibitor of the adenyl cyclase 1 (AC1) 7 (c(PA) ≈ 100 mM, in C6H6). DNP red, 2048 scans, Boltzmann blue, 11916 scans. Spectra scaled to the same SNR. DNP enhancements ε are given as red numbers. c, d DNP enhancements ε of selected natural products and pharmaceutical compounds, from left to right: phenylacetaldehyde 8, guaiazulene 9, mitotane 10, amiodarone HCl 11, and sodium diatrizoate 12 (spectra in Supplementary Figs. 8, 9). All 13C measurements were performed with inverse-gated 1H decoupling and with 25–100 mM TEMPONE-15N-d16. e 19F DNP NMR spectra of fluorobenzene 13 and α,α,α-trifluorotoluene 14 (DNP 4 scans, Boltzmann 4 scans) in CCl4. f 19F DNP enhancements from left to right: diethyl fluoromalonate 15, decafluoropentane 16, and flutamide 17, all samples doped with 25 mM galvinoxyl in CCl4. For 17, the solvent was CCl4/DMSO. MW power adjusted to solvent polarity (PMW ≈ 40–50) and gated for aqueous samples (“Methods”). Errors of enhancements ε are estimated between 10 and 25%. Source data are provided as a Source Data file60.

Back to article page