title: Interpretation of the differences in the surface energetics of two optical forms of mannitol by inverse gas chromatography and molecular modelling.
abstract: Inverse gas chromatography (IGC) has been successfully used to characterise the nature of the surface of two optical forms of mannitol, DL and betaD. This has shown that the surface energetics of the two forms are significantly different with the DL form having higher values for the interactions with the dispersive and basic probes. Molecular modelling was used to predict the slip planes by utilising attachment energy calculations and so the dominant faces exposed upon milling could be predicted. Imaging these faces showed that the orientation of the molecules at these surfaces differed between the two forms. A visual comparison of the faces indicated that the DL form had a higher density of acidic and dispersive sites exposed at the surfaces than the betaD form. The results from the modelling agreed with the trends seen in the changes in surface energetics as measured by IGC. This suggests that the components of the surface energetic terms reflect the density of exposed groups at the particle surfaces.
authors.affiliation: Drug Delivery Group, Postgraduate Studies in Pharmaceutical Technology, School of Pharmacy, University of Bradford, Bradford, UK.
authors.forename: I M
authors.initials: IM
authors.lastname: Grimsey
authors.forename: M
authors.initials: M
authors.lastname: Sunkersett
authors.forename: J C
authors.initials: JC
authors.lastname: Osborn
authors.forename: P
authors.initials: P
authors.lastname: York
authors.forename: R C
authors.initials: RC
authors.lastname: Rowe
mesh_terms: D055598:Chemical Phenomena; D002627:Chemistry, Physical; D002849:Chromatography, Gas; D007536:Isomerism; D008353:Mannitol / Q000737:chemistry*; D008958:Models, Molecular; D013499:Surface Properties; D014961:X-Ray Diffraction
chemical_list: D008353:Mannitol