Insights into the dehydration behavior of thiamine hydrochloride (vitamin B1) hydrates: Part II

Paroma Chakravarty; Robert T. Berendt; Eric J. Munson; Victor G Young; Ramprakash Govindarajan; Raj Suryanarayanan

doi:10.1002/jps.21968

Insights into the dehydration behavior of thiamine hydrochloride (vitamin B₁) hydrates: Part II

Paroma Chakravarty, Robert T. Berendt, Eric J. Munson, Victor G Young, Ramprakash Govindarajan, Raj Suryanarayanan

Research output: Contribution to journal › Article › peer-review

24 Scopus citations

Abstract

Thiamine hydrochloride (THCl) can exist as an anhydrate (AH) and as a hemihydrate (HH). AH sorbs water as a function of environmental water vapor pressure to form a nonstoichiometric hydrate (NSH). NSH dehydration is initiated at ∼408C to yield AH, an isomorphic desolvate (ID) of NSH (Chakravaty et al., 2009, J Pharm Sci). Upon heating, dehydration of HH occurs only at elevated temperatures (>12°8C) and is accompanied by chemical decomposition. When heated at reduced temperature (60-90°C) and pressure (20-760 mTorr), HH was incompletely dehydrated with partial loss of long-range lattice order. Complete dehydration of HH to AH was achieved through a solvent-mediated transformation in ethanol. The crystal structures of NSH and HH exhibit pronounced differences in the hydrogen bonding of water. The dehydration mechanism of NSH and HH can be explained by the "continuous and unified" dehydration model. ¹⁰

Original language	English (US)
Pages (from-to)	1882-1895
Number of pages	14
Journal	Journal of Pharmaceutical Sciences
Volume	99
Issue number	4
DOIs	https://doi.org/10.1002/jps.21968
State	Published - Apr 2010

Bibliographical note

Funding Information:
The assistance of Mr. Gilbert Alhstrand (Imaging center, College of Biological Sciences, University of Minnesota) with the cryo‐SEM is gratefully acknowledged. Partial financial support was received from Dane O. Kildsig Center for Pharmaceutical Processing Research. Paroma Chakravarty is the recipient of the Doctoral Dissertation Fellowship from the Graduate School, University of Minnesota. Part of this work was carried out in the I.T. Characterization facility of the University of Minnesota which receives partial support from NSF through the NNIN program.

Copyright:
Copyright 2017 Elsevier B.V., All rights reserved.

Keywords

Crystal structure
Dehydration
Hydrates
Solid-state NMR
Spectroscopy
X-ray powder diffractometry

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10.1002/jps.21968

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title = "Insights into the dehydration behavior of thiamine hydrochloride (vitamin B1) hydrates: Part II",

abstract = "Thiamine hydrochloride (THCl) can exist as an anhydrate (AH) and as a hemihydrate (HH). AH sorbs water as a function of environmental water vapor pressure to form a nonstoichiometric hydrate (NSH). NSH dehydration is initiated at ∼408C to yield AH, an isomorphic desolvate (ID) of NSH (Chakravaty et al., 2009, J Pharm Sci). Upon heating, dehydration of HH occurs only at elevated temperatures (>12°8C) and is accompanied by chemical decomposition. When heated at reduced temperature (60-90°C) and pressure (20-760 mTorr), HH was incompletely dehydrated with partial loss of long-range lattice order. Complete dehydration of HH to AH was achieved through a solvent-mediated transformation in ethanol. The crystal structures of NSH and HH exhibit pronounced differences in the hydrogen bonding of water. The dehydration mechanism of NSH and HH can be explained by the {"}continuous and unified{"} dehydration model. 10",

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author = "Paroma Chakravarty and Berendt, {Robert T.} and Munson, {Eric J.} and Young, {Victor G} and Ramprakash Govindarajan and Raj Suryanarayanan",

note = "Funding Information: The assistance of Mr. Gilbert Alhstrand (Imaging center, College of Biological Sciences, University of Minnesota) with the cryo‐SEM is gratefully acknowledged. Partial financial support was received from Dane O. Kildsig Center for Pharmaceutical Processing Research. Paroma Chakravarty is the recipient of the Doctoral Dissertation Fellowship from the Graduate School, University of Minnesota. Part of this work was carried out in the I.T. Characterization facility of the University of Minnesota which receives partial support from NSF through the NNIN program. Copyright: Copyright 2017 Elsevier B.V., All rights reserved.",

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AU - Govindarajan, Ramprakash

AU - Suryanarayanan, Raj

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N2 - Thiamine hydrochloride (THCl) can exist as an anhydrate (AH) and as a hemihydrate (HH). AH sorbs water as a function of environmental water vapor pressure to form a nonstoichiometric hydrate (NSH). NSH dehydration is initiated at ∼408C to yield AH, an isomorphic desolvate (ID) of NSH (Chakravaty et al., 2009, J Pharm Sci). Upon heating, dehydration of HH occurs only at elevated temperatures (>12°8C) and is accompanied by chemical decomposition. When heated at reduced temperature (60-90°C) and pressure (20-760 mTorr), HH was incompletely dehydrated with partial loss of long-range lattice order. Complete dehydration of HH to AH was achieved through a solvent-mediated transformation in ethanol. The crystal structures of NSH and HH exhibit pronounced differences in the hydrogen bonding of water. The dehydration mechanism of NSH and HH can be explained by the "continuous and unified" dehydration model. 10

AB - Thiamine hydrochloride (THCl) can exist as an anhydrate (AH) and as a hemihydrate (HH). AH sorbs water as a function of environmental water vapor pressure to form a nonstoichiometric hydrate (NSH). NSH dehydration is initiated at ∼408C to yield AH, an isomorphic desolvate (ID) of NSH (Chakravaty et al., 2009, J Pharm Sci). Upon heating, dehydration of HH occurs only at elevated temperatures (>12°8C) and is accompanied by chemical decomposition. When heated at reduced temperature (60-90°C) and pressure (20-760 mTorr), HH was incompletely dehydrated with partial loss of long-range lattice order. Complete dehydration of HH to AH was achieved through a solvent-mediated transformation in ethanol. The crystal structures of NSH and HH exhibit pronounced differences in the hydrogen bonding of water. The dehydration mechanism of NSH and HH can be explained by the "continuous and unified" dehydration model. 10

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