Banca de QUALIFICAÇÃO: JULIANA PEREIRA DA SILVA

Uma banca de QUALIFICAÇÃO de MESTRADO foi cadastrada pelo programa.
STUDENT : JULIANA PEREIRA DA SILVA
DATE: 14/12/2023
TIME: 14:00
LOCAL: 403, bloco B
TITLE:

Study of the Structural and Optical Properties of Melphalan Hydrochloride

PAGES: 52
BIG AREA: Ciências Exatas e da Terra
AREA: Física
SUBÁREA: Física da Matéria Condensada
SPECIALTY: Estrutura de Líquidos e Sólidos; Cristalografia
SUMMARY:

Melphalan hydrochloride (MEH) is a chemotherapy drug with antitumor activity known for its groups of alkyl agents. Over the last few decades, the drug has been administered to patients undergoing cancer treatment, such as breast and ovarian cancer, and is also used to treat multiple myeloma. Commercially, it is available in tablets and injections; however, its oral administration has some limitations, such as pre-systemic elimination and incomplete absorption. In this work, we determined its crystal structure using a simulated annealing procedure based on powder X-ray diffraction data, presenting a monoclinic crystal system (P21). Confirmation of the validity of the model can be verified through Rietveld refinement, which shows an excellent visual agreement between the obtained model and experimental data. Furthermore, the statistical parameters and visual tuning provide evidence of a plausible structure. As MEH has low solubility in water, a screening carried out in the Mercury program (using the CSD-Materials module) indicated the possibility of using different molecular synthons to improve the drug's performance and the controlled release of the compound. Grinding processes (manual and mechanochemical grinding) were carried out in associations of MEH with coformers (L-glutamic acid, lactose, saccharin, and caffeine), forming stoichiometric mixtures. Vibrational characteristics made with the MEH-CAF association demonstrated low energy levels. Effects on cell viability of associations between MEH-CAF exhibited more significant cytotoxicity against the HeLa cell line (cervical tumor) compared to MRC-5 (human fetal lung fibroblasts).

COMMITTEE MEMBERS:
Presidente - Interno ao Programa - 1768959 - FERNANDO CARLOS GIACOMELLI
Membro Titular - Examinador(a) Interno ao Programa - 1305186 - SERGIO BROCHSZTAIN
Membro Titular - Examinador(a) Externo ao Programa - 1762438 - JEAN JACQUES BONVENT
Membro Suplente - Examinador(a) Interno ao Programa - 1734912 - ROOSEVELT DROPPA JUNIOR
Membro Suplente - Examinador(a) Interno ao Programa - 1676364 - JULIANA MARCHI
Membro Suplente - Examinador(a) Externo à Instituição - KARINE PANICO - UFABC