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Du W, Cruz-Cabeza AJ, Woutersen S, et al. Can the study of self-assembly in solution lead to a good model for the nucleation pathway? The case of tolfenamic acid. Chem Sci. 2015;6(6):3515-3524doi: 10.1039/c5sc00522a.
Du, W., Cruz-Cabeza, A. J., Woutersen, S., Davey, R. J., & Yin, Q. (2015). Can the study of self-assembly in solution lead to a good model for the nucleation pathway? The case of tolfenamic acid. Chemical science, 6(6), 3515-3524. https://doi.org/10.1039/c5sc00522a
Du, W, et al. "Can the study of self-assembly in solution lead to a good model for the nucleation pathway? The case of tolfenamic acid." Chemical science vol. 6,6 (2015): 3515-3524. doi: https://doi.org/10.1039/c5sc00522a
Du W, Cruz-Cabeza AJ, Woutersen S, Davey RJ, Yin Q. Can the study of self-assembly in solution lead to a good model for the nucleation pathway? The case of tolfenamic acid. Chem Sci. 2015 Jun 01;6(6):3515-3524. doi: 10.1039/c5sc00522a. Epub 2015 Apr 17. PMID: 29511513; PMCID: PMC5814770.
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Chem Sci. 2015 Jun 01;6(6):3515-3524. doi: 10.1039/c5sc00522a. Epub 2015 Apr 17.

Can the study of self-assembly in solution lead to a good model for the nucleation pathway? The case of tolfenamic acid.

Chemical science

W Du, A J Cruz-Cabeza, S Woutersen, R J Davey, Q Yin

Affiliations

  1. School of Chemical Engineering and Technology , State Key Laboratory of Chemical Engineering , Tianjin University , Tianjin 300072 , People's Republic of China.
  2. Van't Hoff Institute for Molecular Sciences , University of Amsterdam , Science Park 904 , 1098 XH Amsterdam , The Netherlands.
  3. The School of Chemical Engineering and Analytical Sciences , The University of Manchester , Manchester M13 9PL , UK . Email: [email protected].

PMID: 29511513 PMCID: PMC5814770 DOI: 10.1039/c5sc00522a

Abstract

To further our understanding of the role of solution chemistry in directing nucleation processes new experimental and computational data are presented on the solution and crystallisation chemistry of tolfenamic acid (TA), a benchmark polymorphic compound. With these, and previously published data, we were able to establish that TA is rapidly fluctuating between conformers in solution with either solvated monomers or dimers present depending on the solvent. Hence, despite the fact that conformational polymorphs can be obtained from crystallisations in ethanol, we found no links between solution chemistry and crystallisation outcomes. We discuss the implications of these conclusions for the nature of the nucleation pathway

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