The Phase Diagram of the API Benzocaine and Its Highly Persistent, Metastable Crystalline Polymorphs

Autor: Ivo B. Rietveld, Hiroshi Akiba, Osamu Yamamuro, Maria Barrio, René Céolin, Josep-Lluís Tamarit

Publikováno v: Pharmaceutics, Vol 15, Iss 5, p 1549 (2023)

The availability of sufficient amounts of form I of benzocaine has led to the investigation of its phase relationships with the other two existing forms, II and III, using adiabatic calorimetry, powder X-ray diffraction, and high-pressure differentia

Externí odkaz: https://doaj.org/article/af455cc21a5e45029dc323d516acd53f

Uniaxial Negative Thermal Expansion in Polymorphic 2-Bromobenzophenone, Due to Aromatic Interactions?

Autor: René Céolin, Philippe Négrier, Roberto Macovez, Josep-Lluís Tamarit, Denise Mondieig, Ivo B. Rietveld, Michela Romanini, Maria Barrio

Publikováno v: Crystal Growth & Design
Crystal Growth & Design, American Chemical Society, 2021, 21 (4), pp.2167-2175. ⟨10.1021/acs.cgd.0c01603⟩
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Universitat Politècnica de Catalunya (UPC)

The structure of the metastable form II of 2-bromobenzophenone, obtained by crystallization from the melt, has been determined by powder X-ray diffraction. Form II has been solved in the centrosymmetric monoclinic space group P21/c with a = 8.4896(19

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b19a8550fa2f3e4c237b152d2660659d
https://doi.org/10.1021/acs.cgd.0c01603

Crystal Structure of Polymorph II and the Pressure–Temperature Phase Diagram of the Dimorphic Anesthetic Butamben

Autor: Josep-Lluís Tamarit, Ivo B. Rietveld, René Céolin, Maria Barrio

Publikováno v: Crystal Growth & Design
Crystal Growth & Design, American Chemical Society, 2021, ⟨10.1021/acs.cgd.1c00670⟩
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)

International audience; The crystal structure of the low-temperature form II of butamben has been solved in a P2 1 /c space group very similar to that of form I. Form II possesses virtually the same packing as that of the high-temperature form I, and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::586b97d35cbf02c5619d1d9378b24f4f
https://hal-normandie-univ.archives-ouvertes.fr/hal-03435930

Polymorphism of benzylthiouracil, an active pharmaceutical ingredient against hyperthyroidism

Autor: Maria Barrio, Ivo B. Rietveld, H. Allouchi, Josep-Lluís Tamarit, René Céolin

Publikováno v: International Journal of Pharmaceutics
International Journal of Pharmaceutics, Elsevier, 2021, 598, pp.120378. ⟨10.1016/j.ijpharm.2021.120378⟩
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)

International audience; The crystal structures of dimorphic benzylthiouracil, a drug against hyperthyroidism, have been redetermined and the atom coordinates of the two independent molecules of form I have been obtained for the first time. The dimorp

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d08ab306824d9e262a7de02b0852bdc
https://hal-normandie-univ.archives-ouvertes.fr/hal-03166420

Pitfalls and feedback when constructing topological pressure-temperature phase diagrams

Autor: Siro Toscani, René Céolin, J. Ll. Tamarit, Ivo B. Rietveld, Maria Barrio

Publikováno v: The European Physical Journal. Special Topics
The European Physical Journal. Special Topics, EDP Sciences, 2017, 226 (5), pp.1031-1040. ⟨10.1140/epjst/e2016-60246-6⟩
The European Physical Journal. Special Topics, 2017, 226 (5), pp.1031-1040. ⟨10.1140/epjst/e2016-60246-6⟩
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
European Physical Journal-Special Topics
European Physical Journal-Special Topics, EDP Sciences, 2017, 226 (5), pp.1031-1040. 〈10.1140/epjst/e2016-60246-6〉
Recercat. Dipósit de la Recerca de Catalunya
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International audience; The stability hierarchy between different phases of a chemical compound can be accurately reproduced in a topological phase diagram. This type of phase diagrams may appear to be the result of simple extrapolations, however, ex

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::98ceb73b3cad823679de24ade0c3b578
https://doi.org/10.1140/epjst/e2016-60246-6