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dc.contributor.authorKamali, Naghmeh
dc.contributor.authorGniado, Katarzyna
dc.contributor.authorMcArdle, Patrick
dc.contributor.authorErxleben, Andrea
dc.identifier.citationKamali, Naghmeh, Gniado, Katarzyna, McArdle, Patrick, & Erxleben, Andrea. (2018). Application of Ball Milling for Highly Selective Mechanochemical Polymorph Transformations. Organic Process Research & Development, 22(7), 796-802. doi: 10.1021/acs.oprd.8b00073en_IE
dc.description.abstractMilling is an important secondary processing technique in the manufacture of pharmaceuticals, primarily used as a particle size reduction process. p-Aminobenzoic acid (PABA), m-aminobenzoic acid (MABA), o-aminobenzoic acid (OABA), and carbamazepine (CBZ) are pharmaceutically relevant compounds that can exist in different polymorphic forms with distinct packing motifs and thus different physicochemical properties. A comprehensive study of the effect of milling on the polymorphism of PABA, MABA, OABA, and CBZ was carried out. Milling of PABA in the presence of catalytic amounts of valeric acid or methanol yielded the β polymorph, which is otherwise difficult to obtain in bulk quantities. Milling also proved to be a more convenient method for producing MABA form IV compared with previously reported procedures. Principal component analysis of the pair distribution function-transformed X-ray powder diffraction spectra of ball-milled CBZ samples showed that the milling-induced polymorphic transformation strongly depends on the ball-to-powder ratio. Elusive CBZ form IV could be obtained in pure form by optimizing the milling conditions.en_IE
dc.description.sponsorshipThis work was supported by Science Foundation Ireland under Grant [12/RC/2275] as part of the Synthesis and Solid State Pharmaceutical Centre (SSPC). The Irish Centre for High-End Computing (ICHEC) is thanked for the provision of computational resources to Project ngche046c.en_IE
dc.publisherAmerican Chemical Societyen_IE
dc.relation.ispartofOrganic Process Research & Developmenten
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Ireland
dc.subjectBall millingen_IE
dc.subjectMechanochemical polymorph transformationsen_IE
dc.titleApplication of ball milling for highly selective mechanochemical polymorph transformationsen_IE
dc.contributor.funderScience Foundation Irelanden_IE
dc.local.contactAndrea Erxleben, School Of Chemistry, Room 150, Arts/Science Building, Nui Galway. 2483 Email:
dcterms.projectinfo:eu-repo/grantAgreement/SFI/SFI Research Centres/12/RC/2275/IE/Synthesis and Solid State Pharmaceutical Centre (SSPC)/en_IE

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