Abstract:
:Thiamine hydrochloride (Vitamin B(1), THCl) can exist as a nonstoichiometric hydrate (NSH) and as a hemihydrate (HH). NSH can contain up to approximately 1 molar equivalent of water and be dehydrated to an isomorphic desolvate (ID) with minimal change in lattice structure. Crystallographic and spectroscopic techniques were used to characterize the influence of structure and mobility on NSH dehydration. Dehydration was accompanied by lattice contraction, as noted by a decrease in the d-spacings. Dehydration also led to the development of surface cracks parallel to the (101*) and (102*) planes in the NSH single crystal, as observed by hot stage microscopy. Step-wise dehydration of NSH produced gradual shifts in XRPD and SSNMR peaks, indicating that NSH (with approximately 1 mole water) and ID represent the two extremes of a continuum in the hydration state. Variable temperature (13)C SSNMR studies showed that water molecules move rapidly at room temperature within the NSH crystal lattice, and the thiamine molecules transiently exist in distinct hydrated and dehydrated states. It is hypothesized that, despite the lack of continuous hydration channels in the NSH crystal lattice, cooperative deformation of the thiamine molecules allows a nondisruptive departure of water molecules from the lattice during dehydration.
journal_name
J Pharm Scijournal_title
Journal of pharmaceutical sciencesauthors
Chakravarty P,Berendt RT,Munson EJ,Young VG Jr,Govindarajan R,Suryanarayanan Rdoi
10.1002/jps.21876subject
Has Abstractpub_date
2010-02-01 00:00:00pages
816-27issue
2eissn
0022-3549issn
1520-6017pii
S0022-3549(16)30419-1journal_volume
99pub_type
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