IMIBIO-SL   20937
INSTITUTO MULTIDISCIPLINARIO DE INVESTIGACIONES BIOLOGICAS DE SAN LUIS
Unidad Ejecutora - UE
artículos
Título:
Looking for the interactions between omeprazole and amoxicillin in a disordered phase. An experimental and theoretical study
Autor/es:
MATIAS I. SANCHO; TIAGO VENANCIO; MARCOS G. RUSSO; HÉCTOR A. BALDONI; GRISELA E. NARDA; MARCOS G. RUSSO; HÉCTOR A. BALDONI; GRISELA E. NARDA; LORENA M.A. SILVA; JAVIER ELLENA; LORENA M.A. SILVA; JAVIER ELLENA; MATIAS I. SANCHO; TIAGO VENANCIO
Revista:
SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY.
Editorial:
PERGAMON-ELSEVIER SCIENCE LTD
Referencias:
Lugar: Amsterdam; Año: 2016 vol. 156 p. 70 - 77
ISSN:
1386-1425
Resumen:
In this paper, co-grinding mixtures of omeprazole-amoxicillin trihydrate (CGM samples) and omeprazole-anhydrous amoxicillin (CGMa samples) at 3:7, 1:1 and 7:3 molar ratios, respectively, were studied with the aim of obtaining a co-amorphous system and determining the potential intermolecular interactions. These systems were fully characterized by differential scanning calorimetry (DSC), FT-infrared spectroscopy (FTIR),X-ray powder diffraction (PXRD), scanning electron microscopy (SEM) and solid state Nuclear Magnetic Resonance (ssNMR). The co-grinding process was not useful to get a co-amorphous system but it led to obtaining the 1:1 CGMa disordered phase. Moreover, in this system both FTIR and ssNMR analysis strongly suggest intermolecularinteractions between the sulfoxide group of omeprazole and the primary amine of amoxicillin anhydrous.The solubility measurements were performed in simulated gastric fluid (SGF) to prove the effect of the co-grinding process. Complementarily, we carried out density functional theory calculations (DFT) followed by quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analyses in order to shed some light on the principles that guide the possible formation of heterodimers at the molecular level, which are supported by spectroscopic experimental findings.