Study of crystalline pharmaceuticals polymorphs by X-ray powder diffraction and the Rietveld method

• Grant number: 08/10537-3
• Support Opportunities: Research Grants - Young Investigators Grants
• Start date: March 01, 2010
• End date: February 28, 2014
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Fabio Furlan Ferreira
• Grantee: Fabio Furlan Ferreira
• Host Institution: Centro de Ciências Naturais e Humanas (CCNH). Universidade Federal do ABC (UFABC). Ministério da Educação (Brasil). Santo André , SP, Brazil
• Associated researchers: Carlos de Oliveira Paiva Santos ; Selma Gutierrez Antonio
• Associated scholarship(s): 12/07265-7 - Study of raw materials of prednisone by means of the X-ray powder diffraction, BP.IC

Abstract

Pharmaceuticals can crystallize in several forms (polymorphs), which can present distinct physical and chemical properties and bioavailability. The polymorphism arises from the conditions used in the synthesis and purification of the substance, depending, for example, on the type of solvent used and the reaction temperature. The majority of the pharmaceuticals is managed in the solid form, being its structure amorphous or polycrystalline. The polycrystalline forms are easily detected by X-ray diffraction (XRD) and when the crystal structures are known it is possible, using the Rietveld Method, to quantify the amount of each polymorph in the pharmaceuticals. In this project the procedure for suitable XRD data collection will be established for unequivocal quantification of polymorphs in some drugs currently used by the Brazilian pharmaceutical industries or manipulation drug stores as well as, when it is the case, their crystal structure determination using powder diffraction data. The importance of this research lies on yearnings of the pharmaceutical industries to improve the quality of their products as well as on the social action importance due to the best quality of medicaments. (AU)

Scientific publications

(18)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

COSTA, FANNY N.; FERREIRA, FABIO FURLAN; DA SILVA, TIAGO F.; BARREIRO, ELIEZER J.; LIMA, LIDIA M.; BRAZ, DELSON; BARROSO, REGINA C.. Structure Re-determination of LASSBio-294-a cardioactive compound of the N-acylhydrazone class - using X-ray powder diffraction data. Powder Diffraction, v. 28, n. 2, p. S491-S509, SEP 2013. (08/10537-3)

PEREIRA SATO, JULIANA ALVES; COSTA, FANNY NASCIMENTO; DA ROCHA, MIGUEL DIVINO; BARREIRO, ELIEZER J.; MANSSOUR FRAGA, CARLOS ALBERTO; PUNZO, FRANCESCO; FERREIRA, FABIO FURLAN. Structural characterization of LASSBio-1289: a new vasoactive N-methyl-N-acylhydrazone derivative. CrystEngComm, v. 17, n. 1, p. 165-173, 2015. (08/10537-3)

BIANCHI, ROBERTA C.; DA SILVA, EMERSON RODRIGO; DALL'ANTONIA, LUIZ H.; FERREIRA, FABIO FURLAN; ALVES, WENDEL ANDRADE. A Nonenzymatic Biosensor Based on Gold Electrodes Modified with Peptide Self-Assemblies for Detecting Ammonia and Urea Oxidation. Langmuir, v. 30, n. 38, p. 11464-11473, SEP 30 2014. (08/10537-3, 13/12997-0, 13/12674-6, 11/05374-0, 08/57805-2)

GOMEZ, ARIEL; ANTONIO, SELMA GUTIERREZ; BARROS DE ARAUJO, GABRIEL LIMA; FERREIRA, FABIO FURLAN; PAIVA-SANTOS, CARLOS OLIVEIRA. Crystal structure of isotibolone: a major degradation product of tibolone. CrystEngComm, v. 14, n. 8, p. 2826-2830, 2012. (10/06849-0, 08/10537-3)

FERREIRA, FABIO FURLAN; TRINDADE, ANTONIO CARLOS; ANTONIO, SELMA GUTIERREZ; PAIVA-SANTOS, CARLOS DE OLIVEIRA. Crystal structure of propylthiouracil determined using high-resolution synchrotron X-ray powder diffraction. CrystEngComm, v. 13, n. 17, p. 5474-5479, 2011. (10/06849-0, 08/10537-3)

MAGNAVITA, E. T.; RETTORI, C.; OSORIO-GUILLEN, J. M.; FERREIRA, F. F.; MENDONCA-FERREIRA, L.; AVILA, M. A.; RIBEIRO, R. A.. Low temperature transport and thermodynamic properties of the Zintl compound Yb11AlSb9: A new Kondo lattice semiconductor. Journal of Alloys and Compounds, v. 669, p. 60-65, JUN 5 2016. (08/10537-3, 12/17562-9, 11/19924-2, 11/23795-3, 11/09813-9)

SOUZA, MARCIA I.; SILVA, EMERSON R.; JAQUES, YGOR M.; FERREIRA, FABIO F.; FILETI, EUDES E.; ALVES, WENDEL A.. The role of water and structure on the generation of reactive oxygen species in peptide/hypericin complexes. JOURNAL OF PEPTIDE SCIENCE, v. 20, n. 7, p. 9-pg., 2014-07-01. (08/10537-3, 13/12997-0, 08/57805-2, 13/17193-6, 13/12674-6)

TAVARES, M.; DAMIAO, M.; FERREIRA, A.; RODRIGUES, C.; BARBUTO, J.; AZEVEDO, R.; DE-SA-JUNIOR, P.; PARISE-FILHO, R.; FERREIRA, F.. Synthesis and crystal structure of a new anticancer candidate: RPF151. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, v. 70, p. 1-pg., 2014-08-01. (08/10537-3, 12/23233-8, 13/18160-4)

DO PRADO, VANIA MENDES; SEICEIRA, RAFAEL CARDOSO; PITALUGA, JR., ALTIVO; ANDRADE-FILHO, TARCISO; ALVES, WENDEL ANDRADE; ROCHA, ALEXANDRE REILY; FERREIRA, FABIO FURLAN. Elucidating the crystal structure of the antimalarial drug (+/-)-mefloquine hydrochloride: a tetragonal hydrated species. JOURNAL OF APPLIED CRYSTALLOGRAPHY, v. 47, n. 4, p. 1380-1386, AUG 2014. (09/15129-3, 13/02112-0, 08/10537-3)

SOUZA, MARCIA I.; SILVA, EMERSON R.; JAQUES, YGOR M.; FERREIRA, FABIO F.; FILETI, EUDES E.; ALVES, WENDEL A.. The role of water and structure on the generation of reactive oxygen species in peptide/hypericin complexes. JOURNAL OF PEPTIDE SCIENCE, v. 20, n. 7, SI, p. 554-562, JUL 2014. (08/10537-3, 13/17193-6, 13/12997-0, 13/12674-6, 08/57805-2)

IBIAPINO, AMANDA LAURA; SEICEIRA, RAFAEL CARDOSO; PITALUGA, JR., ALTIVO; TRINDADE, ANTONIO CARLOS; FERREIRA, FABIO FURLAN. Structural characterization of form I of anhydrous rifampicin. CrystEngComm, v. 16, n. 36, p. 8555-8562, SEP 28 2014. (08/10537-3)

DE FIGUEIREDO, LAYSA PIRES; FERREIRA, FABIO FURLAN. The Rietveld Method as a Tool to Quantify the Amorphous Amount of Microcrystalline Cellulose. Journal of Pharmaceutical Sciences, v. 103, n. 5, p. 1394-1399, MAY 2014. (08/10537-3)

TAVARES, MAURICIO T.; PASQUALOTO, KERLY F. M.; VAN DE STREEK, JACCO; FERREIRA, ADILSON K.; AZEVEDO, RICARDO A.; DAMIAO, MARIANA C. F. C. B.; RODRIGUES, CECILIA P.; DE-SA-JUNIOR, PAULO L.; BARBUTO, JOSE A. M.; PARISE-FILHO, ROBERTO; et al. Synthesis, characterization, in silico approach and in vitro antiproliferative activity of RPF151, a benzodioxole sulfonamide analogue designed from capsaicin scaffold. Journal of Molecular Structure, v. 1088, p. 138-146, MAY 15 2015. (13/18160-4, 08/10537-3, 12/23233-8)

COSTA, FANNY NASCIMENTO; DA SILVA, TIAGO F.; SILVA, EDUARDO MIGUEZ B.; BARROSO, REGINA C. R.; BRAZ, DELSON; BARREIRO, ELIEZER J.; LIMA, LIDIA MOREIRA; PUNZO, FRANCESCO; FERREIRA, FABIO FURLAN. Structural feature evolution - from fluids to the solid phase - and crystal morphology study of LASSBio 1601: a cyclohexyl-N-acylhydrazone derivative. RSC ADVANCES, v. 5, n. 50, p. 39889-39898, 2015. (08/10537-3)

DO CARMO, WEBERTON REIS; FERREIRA, FABIO FURLAN; DINIZ, RENATA. Phase quantification of antihypertensive drugs - Chlorthalidone, Hydrochlorothiazide, Losartan and combinations, Losartan/Chlorthalidone and Losartan/Hydrochlorothiazide - by the Rietveld method. Journal of Pharmaceutical and Biomedical Analysis, v. 88, p. 152-156, JAN 25 2014. (08/10537-3)

XAVIER, ALLAN MOREIRA; FERREIRA, FABIO FURLAN; SOUZA, FLAVIO LEANDRO. Morphological and structural evolution from akaganeite to hematite of nanorods monitored by ex situ synchrotron X-ray powder diffraction. RSC ADVANCES, v. 4, n. 34, p. 17753-17759, 2014. (12/19926-8, 11/19924-2, 08/10537-3)

COSTA, FANNY N.; FERREIRA, FABIO FURLAN; DA SILVA, TIAGO F.; BARREIRO, ELIEZER J.; LIMA, LIDIA M.; BRAZ, DELSON; BARROSO, REGINA C.. Structure Re-determination of LASSBio-294-a cardioactive compound of the N-acylhydrazone class - using X-ray powder diffraction data. Powder Diffraction, v. 28, p. 19-pg., 2013-09-01. (08/10537-3)

DO PRADO, VANIA MENDES; SEICEIRA, RAFAEL CARDOSO; PITALUGA, ALTIVO, JR.; ANDRADE-FILHO, TARCISO; ALVES, WENDEL ANDRADE; ROCHA, ALEXANDRE REILY; FERREIRA, FABIO FURLAN. Elucidating the crystal structure of the antimalarial drug (+/-)-mefloquine hydrochloride: a tetragonal hydrated species. JOURNAL OF APPLIED CRYSTALLOGRAPHY, v. 47, p. 7-pg., 2014-08-01. (13/02112-0, 08/10537-3, 09/15129-3)