Spatial structure of felodipine dissolved in DMSO by 1D NOE and 2D NOESY NMR spectroscopy

Inversion of Population Distribution of Felodipine Conformations at Increased Concentration in Dimethyl Sulfoxide Is a Prerequisite to Crystal Nucleation

“…Distances in proton pairs (3b–3c), (4–6′) and (NH1–6′) were determined earlier by the combination of 1D and 2D NOE spectroscopy . In this study, 2D NOESY experiment allowed us to conclude that conformations A, B, and E dominate in dilute DMSO solution.…”

“…In Khodov et al, geometric restraints for felodipine molecule in dilute solution were determined. In this paper, measurements on the saturated solution were also added (see Table ).…”

“…Nuclear overhauser effect (NOE) nuclear magnetic resonance (NMR) spectroscopy is a powerful tool for studying spatial structure and conformational detail for flexible small molecules . Other possible approaches include the analysis of scalar and dipolar couplings, which have some essential restrictions …”

Studies on the Conformations and Hydrogen-Bonding Interactions of RGD Tri-peptide in Aqueous Solutions by Molecular Dynamics Simulations and 2D-NOESY Spectroscopy

“…Efficient NMR-based protein structural determination relies on the measurement of NOEs, which provides the intermolecular distance and the correlation time at the atomic level [34][35][36]. 1 H _ NMR, 1 H-1 H COSY, and 1 H-1 H NOESY spectroscopy were performed in the present Table 2.…”

Accuracy of Determination of Self-Diffusion Coefficients in Studies of Porphyrin-Based Complexes by 2D DOSY

“…NMR spectroscopy is widely used in investigations of structure and dynamics of small molecular weight compounds [1][2][3][4][5] as well as of relatively large macrocyclic molecules, [6][7][8][9][10][11] including porphyrins. [12][13][14][15] Modern NMR methods play a special role in studied of formation of intermolecular complexes and associates, [16][17][18] and in identifying supramolecular assemblies.…”