All Outputs (3)

Bisoprolol and Bisoprolol-Valsartan Compatibility Studied by Differential Scanning Calorimetry, Nuclear Magnetic Resonance and X-Ray Powder Diffractometry (2014)
Journal Article
Skotnicki, M., Aguilar, J. A., Pyda, M., & Hodgkinson, P. (2015). Bisoprolol and Bisoprolol-Valsartan Compatibility Studied by Differential Scanning Calorimetry, Nuclear Magnetic Resonance and X-Ray Powder Diffractometry. Pharmaceutical Research, 32(2), 414-429. https://doi.org/10.1007/s11095-014-1471-7

Purpose The objective of this study was to evaluate the thermal behavior of crystalline and amorphous bisoprolol fumarate and its compatibility with amorphous valsartan. This pharmacologically relevant drug combination is a potential candidate for fi... Read More about Bisoprolol and Bisoprolol-Valsartan Compatibility Studied by Differential Scanning Calorimetry, Nuclear Magnetic Resonance and X-Ray Powder Diffractometry.

Dynamics of water molecules and sodium ions in solid hydrates of nucleotides (2014)
Journal Article
Dračínský, M., Šála, M., & Hodgkinson, P. (2014). Dynamics of water molecules and sodium ions in solid hydrates of nucleotides. CrystEngComm, 16(29), 6756-6764. https://doi.org/10.1039/c4ce00727a

Nuclear magnetic resonance experiments, together with molecular dynamics simulations and NMR calculations, are used to investigate mobility of water molecules and sodium ions in solid hydrates of two nucleotides. The structure of guanosine monophosph... Read More about Dynamics of water molecules and sodium ions in solid hydrates of nucleotides.

Effects of Quantum Nuclear Delocalisation on NMR Parameters from Path Integral Molecular Dynamics (2014)
Journal Article
Dračínský, M., & Hodgkinson, P. (2014). Effects of Quantum Nuclear Delocalisation on NMR Parameters from Path Integral Molecular Dynamics. Chemistry - A European Journal, 20(8), 2201-2207. https://doi.org/10.1002/chem.201303496

The influence of nuclear delocalisation on NMR chemical shifts in molecular organic solids is explored using path integral molecular dynamics (PIMD) and density functional theory calculations of shielding tensors. Nuclear quantum effects are shown to... Read More about Effects of Quantum Nuclear Delocalisation on NMR Parameters from Path Integral Molecular Dynamics.