Seminário: “Crystal structure determination of N-acylhydrazone derivatives”

• Responsável: Pós-graduação em Nanociências e Materiais Avançados
• Câmpus: Santo André
• Local: Bloco A - Sala 209-0
• Data: 13/11/2015
• Horário: 14:00 às 16:00
• Descrição:

  The use of X-rays for determination of three-dimensional atomic arrangements in crystal structures of organic and inorganic compounds is an important stage both in the design of new substances as well as in the development of the new procedures for the synthesis of the already known compounds. The N-acylhydrazone (NAH) moiety constitutes a pharmacophoric group due to its relation to several biological activities. For this reason, NAH subunit has been considered as a prominent starting point for the rational planning of pharmaceutical compounds. The methodology of structure determination from X-ray diffraction data has been employed as a tool able to define the configurational and conformational aspects of the new bioactive compounds, which are directly related to the biological activity. In this work, X-ray powder diffraction (XRPD) was used to carry out the crystal structure determination of new compounds which were initially obtained as part of a project of synthesis of novel anti-inflammatory and analgesic leads with a N-acylhydrazone scaffold. Topas Academic and DASH software were used to accomplish this task in conjuction with the Rietveld method.

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