Abstract
In this work, a new approach is applied to the study of the dynamics of molecular crystals in various polymorphic modifications using the distributions of T1 and T2 relaxation times for proton NMR. The distributions of relaxation times for different polymorphic states of paracetamol and sulfanilamide are obtained and analyzed. The multimodality of distributions is interpreted by the different nature of the motion of atoms located in different places of the crystal lattice. It is shown that the spectra of spin–lattice relaxation times for polymorphs of the same substance are not identical, as the spin–spin relaxation times spectra are. The results obtained may represent a new approach to quality control by the production of pharmaceutical compounds.
Similar content being viewed by others
References
M. Li, W. Xu, Y. Su, Trends Anal. Chem. 135, 116152 (2021)
A. Becht, C. Schollmayer, Yu. Monakhova, U. Holzgrabe, Anal. Bioanal. Chem. 413, 3107 (2021)
A. Portieri, R.K. Harris, R.A. Fletton, R.W. Lancaster, T.L. Threlfall, Magn. Reson. Chem. 42, 313 (2004)
H.O. Lin, N.C. Baenziger, J.K. Guillory, J. Pharm. Sci. 63(1), 145 (1974)
B.H. O’Connor, E.N. Maslen, Acta Cryst. 18, 363 (1965)
A.M. O’Connell, E.N. Maslen, Acta Cryst. 22, 134 (1967)
R. Blinc, J. Seliger, A. Zidansek, V. Zagar, F. Milia, H. Robert, Solid State Nucl. Magn. Reson. 30, 61 (2006)
N.Y. Sinyavsky, I.G. Mershiev, G.S. Kupriyanova, Solid State Nuclear Magn. Reson. 78, 45 (2016)
D.V. Snegirev, N.Y. Sinyavsky, G.S. Kupriyanova, Chem. Phys. Lett. 750, 137510 (2020)
D. Stueber, S. Jehle, J. Pharm. Sci. 106(7), 1828 (2017)
D. Stueber., S. Jehle, U.S. Patent Application n. 16/072,629 (2019)
K. Okada, D. Hirai, S. Kumada et al., J. Pharm. Sci. 108(1), 451 (2018)
K. Okada, D. Hirai, Y. Hayashi et al., Chem. Pharm. Bull. 67(6), 580 (2019)
K. Okada, Y. Hayashi, S. Kumada, Y. Onuki, Eur. J. Pharm. Sci. 164, 105908 (2021)
A. Pajzderska, J. Wąsicki, Int. J. Pharm. 605, 120800 (2021)
S.W. Provencher, Comput. Phys. Commun. 27(3), 213 (1982)
I.-G. Marino, http://www.mathworks.com/matlabcentral/fileexchange/6523-rilt/content/rilt.m [Electronic resource] (2004)
D.A. Druzhbin, T.N. Drebushchak, V.E. Min’kov, E.V. Boldyreva, J. Struct. Chem. 56(2), 317 (2015)
Z. Trontelj, J. Pirnat, V. Jazbinšek et al., J. Crystals 10, 450 (2020)
Acknowledgements
The authors would like to thank Christian G. F. Blum (IFW Dresden institute) for the help with samples preparation.
Author information
Authors and Affiliations
Corresponding author
Additional information
Publisher's Note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Rights and permissions
About this article
Cite this article
Sinyavsky, N., Mershiev, I. Study of Molecular Dynamics in Paracetamol and Sulfanilamide Polymorphs by 1H NMR Relaxometry. Appl Magn Reson 53, 931–939 (2022). https://doi.org/10.1007/s00723-022-01472-0
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s00723-022-01472-0