Please use this identifier to cite or link to this item:
http://hdl.handle.net/10662/19985
Title: | Success of z-matrix representation in monte-carlo sturctural determination of stimulants drugs (caffeine and nicotine) from their x-ray powder diffraction patterns |
Authors: | Antequera Barroso, Juan Antonio Godoy Acedo, Luis González Méndez, Luis M. García Cuesta, María del Consuelo Cumbrera Hernández, Francisco Luis Meléndez Martínez, Juan José |
Keywords: | Powder diffraction;Structural determination;Pharmaceutical compounds;Difracción de polvo;Determinación estructural;Compuestos farmacéuticos |
Issue Date: | 2005 |
Publisher: | Scientific |
Abstract: | The main goal of this work consists in the research about the nowadays actual capabilities of X-ray powder diffraction to solve complex organic structures. At this respect, we consider here two organic compounds: caffeine and nicotine, whose biological activity led us to include them as stimulant drugs. Since it is very difficult to obtain single crystals of these substances, suitable for the four-circle diffractometer, we have adopted for its structural determination the pathway starting with their respective X-ray powder patterns. |
URI: | http://hdl.handle.net/10662/19985 |
DOI: | 10.4028/www.scientific.net/MSF.480-481.635 |
Appears in Collections: | DDCEM - Artículos |
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