Compression Effects on Structural Relaxation Process of Amorphous Indomethacin
Author affiliations
DOI:
https://doi.org/10.15625/0868-3166/15377Keywords:
compression effects, structural relaxation, amorphous drug, indomethacinAbstract
Indomethacin is a common nonsteroidal anti-inflammatory drug, but its glass transition behaviors remain ambiguous. Here we present a simple theoretical approach to investigate the molecular mobility of amorphous indomethacin under compression. In our model, the relaxation of a particle is governed by its nearest-neighbor interactions and long-range cooperative effects of fluid surroundings. On that basis, the temperature and pressure dependence of the structural relaxation time is deduced from the thermal expansion process. Additionally, we also consider correlations between the activated dynamics and the shear response in the deeply supercooled state. Our numerical calculations agree quantitatively well with previous experimental works.Downloads
References
R. J. Flower, Nat. Rev. Drug Discov. 2 (2003) 179.
https://www.nature.com/articles/nrd1034
T. X. Xiang and B. D. Anderson, Mol. Pharm. 10 (2013) 102.
https://pubs.acs.org/doi/abs/10.1021/mp3000698
X. Yuan, T. X. Xiang, B. D. Anderson, and E. J. Munson, Mol. Pharm. 12 (2015) 4518.
https://pubs.acs.org/doi/abs/10.1021/acs.molpharmaceut.5b00705
S. Lucas,Headache 56 (2016) 436.
https://headachejournal.onlinelibrary.wiley.com/doi/abs/10.1111/head.12769
D. W. Dodick, Curr. Pain Headache Rep. 8 (2004) 19.
https://link.springer.com/article/10.1007/s11916-004-0036-6
K. C. Sekar and K. E. Corff, J. Perinatol. 28 (2008) 60.
https://www.nature.com/articles/jp200852
H. Zhang, J. Fan, J. Wang, B. Dou, F. Zhou, J. Cao, J. Qu, Z. Cao, W. Zhao, and X. Peng, J. Am. Chem. Soc. 135 (2013) 17469.
https://pubs.acs.org/doi/abs/10.1021/ja4085308
H. Zhang, J. Fan, J. Wang, S. Zhang, B. Dou, and X. Peng, J. Am. Chem. Soc. 135 (2013) 11663.
https://pubs.acs.org/doi/abs/10.1021/ja4056905
X. Cao, T. Gao, J. Dong, X. Jiang, H. Zou, T. Liu, K. Yu, and W. Zeng, New J. Chem. 43 (2019) 7874.
https://pubs.rsc.org/lv/content/articlelanding/2019/nj/c9nj01473j/unauth#!divAbstract
www.drugbank.ca/drugs/DB00328
N. N. Shahin, N. F. Abdelkader, and M. M. Safar, Sci. Rep. 8 (2018) 1.
https://www.nature.com/articles/s41598-018-22727-6
M. Rams-Baron, R. Jachowicz, E. Boldyreva, D. Zhou, W. Jamroz, and M. Paluch, Amorphous Drugs, Springer, Heidelberg (2018).
https://www.springer.com/gp/book/9783319720012
B. C. Hancock and M. Parks, Pharm. Res. 17 (2000) 397.
https://link.springer.com/article/10.1023/A:1007516718048
K. Grzybowska, S. Capaccioli, and M. Paluch, Adv. Drug Deliv. Rev. 100 (2016) 158.
E. Kaminska, K. Adrjanowicz, D. Zakowiecki, B. Milanowski, M. Tarnacka, L. Hawelek, M. Dulski, J. Pilch, W.Smolka, I. Kaczmarczyk-Sedlak, and K. Kaminski, Pharm. Res. 31 (2014) 2887.
https://link.springer.com/article/10.1007/s11095-014-1385-4
S. Mohapatra, S. Samanta, K. Kothari, P. Mistry, and R. Suryanarayanan, Cryst. Growth Des. 17 (2017) 3142.
https://pubs.acs.org/doi/abs/10.1021/acs.cgd.7b00096
Z. Wojnarowska, K. Adrjanowicz, P. Wlodarczyk, E. Kaminska, K. Kaminski, K. Grzybowska, R. Wrzalik, M.Paluch, and K. L. Ngai, J. Phys. Chem. B 113 (2009) 12536.
https://pubs.acs.org/doi/abs/10.1021/jp905162r
A. D. Phan, J. Knapik-Kowalczuk, M. Paluch, T. X. Hoang, and K. Wakabayashi, Mol. Pharm. 16 (2019) 2992.
https://pubs.acs.org/doi/abs/10.1021/acs.molpharmaceut.9b00230
A. D. Phan, K. Wakabayashi, M. Paluch, and V. D. Lam, RSC Adv. 9 (2019) 40214.
https://pubs.rsc.org/en/content/articlehtml/2019/ra/c9ra08441j
A. D. Phan, T. T. T. Thuy, N. T. K. An, J. Knapik-Kowalczuk, M. Paluch, and K. Wakabayashi, AIP Adv. 10 (2020) 025128.
https://aip.scitation.org/doi/full/10.1063/1.5139101
A. D. Phan, A. Jedrzejowska, M. Paluch, and K. Wakabayashi, ACS Omega 5 (2020) 11035.
https://pubs.acs.org/doi/abs/10.1021/acsomega.0c00860
A. D. Phan and K. Wakabayashi, Pharmaceutics 12 (2020) 177.
https://www.mdpi.com/1999-4923/12/2/177/htm
J. P. Hansen and I. R. McDonald, Theory of Simple Liquids, Academic Press, London (2006).
https://www.elsevier.com/books/theory-of-simple-liquids/hansen/978-0-12-370535-8
K. S. Schweizer and E. J. Saltzman, J. Chem. Phys. 119 (2003) 1181.
https://aip.scitation.org/doi/abs/10.1063/1.1578632
K. S. Schweizer, J. Chem. Phys. 123 (2005) 244501.
https://aip.scitation.org/doi/abs/10.1063/1.2137701
G. Ngele and J. Bergenholtz, J. Chem. Phys. 108 (1998) 9893.
https://aip.scitation.org/doi/abs/10.1063/1.476428
A. D. Phan and K. S. Schweizer, J. Phys. Chem. B 122 (2018) 8451.
https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.8b04975
K. S. Schweizer, and G. Yatsenko, J. Chem. Phys. 127 (2007) 164505.
https://aip.scitation.org/doi/abs/10.1063/1.2780861
S. Mirigian and K. S. Schweizer, J. Phys. Chem. Lett. 4 (2013) 3648.
https://pubs.acs.org/doi/abs/10.1021/jz4018943
S. Mirigian and K. S. Schweizer, J. Chem. Phys. 140 (2014) 194506.
https://aip.scitation.org/doi/abs/10.1063/1.4874842
S. Mirigian and K. S. Schweizer, J. Chem. Phys. 140 (2014) 194507.
https://aip.scitation.org/doi/abs/10.1063/1.4874843
L. D. Landau and E. M. Lifshitz, Theory of Elasticity, Permagon Press, London (1975).
S. P. Andersson and O. Andersson, Macromolecules 31 (1998) 2999.
https://pubs.acs.org/doi/abs/10.1021/ma971282z
N. Dass and M. Kumari, Phys. Status Solidi (b) 124 (1984) 531.
https://onlinelibrary.wiley.com/doi/abs/10.1002/pssb.2221240211
I. Avramov, A. Grzybowski, and M. Paluch, J. Non-Cryst. Solids 355 (2009) 733.
M. Paluch, C. M. Roland, J. Gapinski, and A. Patkowski, J. Chem. Phys. 118 (2003) 3177.
https://aip.scitation.org/doi/abs/10.1063/1.1538597
Z. Wojnarowska, K. Adrjanowicz, K. Kaminski, L. Hawelek, and M. Paluch, J. Phys. Chem. B 114 (2010) 14815.
https://pubs.acs.org/doi/abs/10.1021/jp104444q
K. Adrjanowicz, K. Kaminski, Z. Wojnarowska, M. Dulski, L. Hawelek, S. Pawlus, M. Paluch, and W. Sawicki, J. Phys. Chem. B 114 (2010) 6579.
https://pubs.acs.org/doi/abs/10.1021/jp910009b
K. Adrjanowicz, K. Kaminski, M. Paluch, and K. Niss, Cryst. Growth Des. 15 (2015) 3257.
https://pubs.acs.org/doi/abs/10.1021/acs.cgd.5b00373
A. Patkowski, J. Gapinski, and G. Meier, Colloid Polym. Sci. 282 (2004) 874.
https://link.springer.com/article/10.1007/s00396-004-1102-7
C. M. Roland, S. Hensel-Bielowka, M. Paluch, and R. Casalini, Rep. Prog. Phys. 68 (2005) 1405.
R. Casalini and C. M. Roland, Phys. Rev. B 71 (2005) 014210.
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.71.014210
M. Paluch, E. Masiewicz, A. Grzybowski, S. Pawlus, J. Pionteck, and Z. Wojnarowska, J. Chem. Phys. 141 (2014) 134507.
https://aip.scitation.org/doi/abs/10.1063/1.4897208
E. Masiewicz, A. Grzybowski, A. P. Sokolov, and M. Paluch, J. Phys. Chem. Lett. 3 (2012) 2643.
https://pubs.acs.org/doi/abs/10.1021/jz301168c
T. D. Cuong, A. D. Phan, K. Wakabayashi, and P. T. Huy, J. Non-Cryst. Solids 538 (2020) 120024.
J. C. Dyre, J. Non-Cryst. Solids 235 (1998) 142.
C. Klieber, T. Hecksher, T. Pezeril, D. H. Torchinsky, J. C. Dyre, and K. A. Nelson, J. Chem. Phys. 138 (2013) 12A544.
https://aip.scitation.org/doi/abs/10.1063/1.4789948
K. L. Kearns, T. Still, G. Fytas, and M. D. Ediger, Adv. Mater. 22 (2010) 39.
https://onlinelibrary.wiley.com/doi/abs/10.1002/adma.200901673
T. Hecksher and J. C. Dyre, J. Non-Cryst. Solids 407 (2015) 14.
T. Hecksher, D. H. Torchinsky, C. Klieber, J. A. Johnson, J. C. Dyre, and K. A. Nelson, Proc. Natl. Acad. Sci.U.S.A. 114 (2017) 8710.
Downloads
Published
How to Cite
Issue
Section
License
Communications in Physics is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
Copyright on any research article published in Communications in Physics is retained by the respective author(s), without restrictions. Authors grant VAST Journals System (VJS) a license to publish the article and identify itself as the original publisher. Upon author(s) by giving permission to Communications in Physics either via Communications in Physics portal or other channel to publish their research work in Communications in Physics agrees to all the terms and conditions of https://creativecommons.org/licenses/by-sa/4.0/ License and terms & condition set by VJS.


