Abstract
A discrete variational-Xα (DV-Xα) method was applied to elucidate the formation of C–O–Si bridging bonds, produced when a silanol group of SiO 2 comes close enough to react with a carboxyl group of indomethacin (IM). A decrease in the coordination number (CN) of oxygen atoms per silicon atom at the SiO 2 surface increased the net charge (NC) of the silanolic hydrogen atom and decreased the bond overlap population (BOP) between the silanolic oxygen and hydrogen atoms. These changes favored the formation and stabilization of C–O–Si bridging bonds with simultaneous dehydration. The computational results agreed well with our previous experimental study of a ground indomethacin–SiO 2 mixture to obtain a better solid dispersion of the drug.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
