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      EXPERIMENTAL STUDY OF THE DIELECTRIC BEHAVIOR OF TINIDAZOLE IN ACETONE AT 25°C Translated title: ESTUDIO EXPERIMENTAL DEL COMPORTAMIENTO DIELÉCTRICO DEL TINIDAZOL EN ACETONA A 25°C

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          Abstract

          Tinidazole is an anti-parasitic drug widely used nowadays in therapeutics. Nevertheless, it has not been well characterized from a physicochemical point of view. In this context, by means of optical experimental methods and dielectric spectroscopy applied to diluted solutions of Tinidazole in Acetone, molar polarizations of the solute, 0P2, and the solvent, 0P1, and the average dipolar moment <IMG SRC="img/revistas/vitae/v17n3/v17n3a08i1.jpg" WIDTH=286 HEIGHT=96>of tinidazole associated to acetone, were estimated, resulting in <IMG SRC="img/revistas/vitae/v17n3/v17n3a08i1.jpg" WIDTH=286 HEIGHT=96 > or = 9.18 D. Since this value is higher than the theoretical m of the two main conformers of isolated tinidazole, that is, 3.22 and 4.29 D, respectively, the formation of interactions between the solute and the solvent is assumed. An effect of intermolecular association by van der Waals and hydrogen bond interactions conducting to a modification of the partial molar volume of the solute, <IMG SRC="img/revistas/vitae/v17n3/v17n3a08i2.jpg" WIDTH=286 HEIGHT=96>, is thus expected. From the experimental and analysis by using the Halverstadt-Kumler's method, it can be seen that <IMG SRC="img/revistas/vitae/v17n3/v17n3a08i1.jpg" WIDTH=286 HEIGHT=96>had a 24% reduction as compared with the theoretical value, which would confirm the presence of such interactions

          Translated abstract

          El tinidazol es un fármaco antiparasitario ampliamente utilizado en la actualidad. Sin embargo, este fármaco no ha sido bien caracterizado desde un punto de vista fisicoquímico. Por esta razón, mediante algunos métodos ópticos y espectroscopía dieléctrica, aplicados a soluciones diluidas de tinidazol en acetona, se estimaron las polarizabilidades molares del soluto, 0P2, y del solvente, 0P1, además del momento dipolar promedio, <IMG SRC="img/revistas/vitae/v17n3/v17n3a08i1.jpg" WIDTH=286 HEIGHT=96>, del fármaco asociado a la acetona, obteniendo un valor <IMG SRC="img/revistas/vitae/v17n3/v17n3a08i1.jpg" WIDTH=286 HEIGHT=96 > o = 9,18 D. Puesto que este valor es mayor que el obtenido teóricamente para los dos confórmeros rincipales, osea 3,22 y 4,29 D, respectivamente, se asume la presencia significativa de interacciones entre el soluto y el solvente. Por lo tanto, se espera que la asociación intermolecular soluto-solvente, establecida por fuerzas de van der Waals y por enlaces de hidrógeno, conduzca a la modificación del volumen molar parcial del soluto, <IMG SRC="img/revistas/vitae/v17n3/v17n3a08i2.jpg" WIDTH=286 HEIGHT=96>. A partir del análisis experimental mediante el método de Halverstadt-Kumler se observa una reducción del 24% en el valor de <IMG SRC="img/revistas/vitae/v17n3/v17n3a08i2.jpg" WIDTH=286 HEIGHT=96>, al compararlo con el valor teórico, lo cual podría confirmar la presencia de tales interacciones.

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          Most cited references56

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          Molecular‐dynamics simulation of aqueous mixtures: Methanol, acetone, and ammonia

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            Hildebrand and Hansen solubility parameters from molecular dynamics with applications to electronic nose polymer sensors.

            We introduce the Cohesive Energy Density (CED) method, a multiple sampling Molecular Dynamics computer simulation procedure that may offer higher consistency in the estimation of Hildebrand and Hansen solubility parameters. The use of a multiple sampling technique, combined with a simple but consistent molecular force field and quantum mechanically determined atomic charges, allows for the precise determination of solubility parameters in a systematic way (sigma = 0.4 hildebrands). The CED method yields first-principles Hildebrand parameter predictions in good agreement with experiment [root-mean-square (rms) = 1.1 hildebrands]. We apply the CED method to model the Caltech electronic nose, an array of 20 polymer sensors. Sensors are built with conducting leads connected through thin-film polymers loaded with carbon black. Odorant detection relies on a change in electric resistivity of the polymer film as function of the amount of swelling caused by the odorant compound. The amount of swelling depends upon the chemical composition of the polymer and the odorant molecule. The pattern is unique, and unambiguously identifies the compound. Experimentally determined changes in relative resistivity of seven polymer sensors upon exposure to 24 solvent vapors were modeled with the CED estimated Hansen solubility components. Predictions of polymer sensor responses result in Pearson R2 coefficients between 0.82 and 0.99. Copyright 2004 Wiley Periodicals, Inc.
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              Handbook of Chemistry and Physics

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                Author and article information

                Journal
                vitae
                Vitae
                Vitae
                Facultad de Química Farmacéutica, Universidad de Antioquia (Medellín, Antioquia, Colombia )
                0121-4004
                September 2010
                : 17
                : 3
                : 299-308
                Affiliations
                [02] San Luis orgnameUniversidad Nacional de San Luis orgdiv1Facultad de Química. Bioquímica y Farmacia orgdiv2Area de Química Física Argentina
                [05] San Miguel de Tucumán orgnameUniversidad Nacional de Tucumán orgdiv1Facultad de Bioquímica. Química y Farmacia orgdiv2Instituto de Química Inorgánica Argentina ayurquina@ 123456fbqf.unt.edu.ar
                [04] Bogotá D.C orgnameUniversidad Nacional de Colombia orgdiv1Facultad de Ciencias orgdiv2Departamento de Farmacia Colombia fmartinezr@ 123456unal.edu.co
                [03] Bogotá D.C orgnameUniversidad de los Andes orgdiv1Facultad de Ciencias orgdiv2Departamento de Química Colombia
                [01] San Miguel de Tucumán orgnameUniversidad Nacional de Tucumán orgdiv1Facultad de Bioquímica. Química y Farmacia. orgdiv2Instituto de Química Inorgánica Argentina
                Article
                S0121-40042010000300008 S0121-4004(10)01700308
                91ab08ac-b1f3-4fca-9abb-e0d1e3916e09

                This work is licensed under a Creative Commons Attribution 4.0 International License.

                History
                : 20 October 2009
                : 22 July 2010
                Page count
                Figures: 0, Tables: 0, Equations: 0, References: 38, Pages: 10
                Product

                SciELO Colombia

                Categories
                Pharmaceutical Industry

                momento dipolar,permitividad,Tinidazol,dipole moment,polarización,permittivity,polarization,Tinidazole

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