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A General Method for Detecting Nitrosamide Formation in the In Vitro Metabolism of Nitrosamines by Cytochrome P450s
Published on: September 25, 2017
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Desolvation Processes in Channel Solvates of Niclosamide.
Jen E Mann1, Renee Gao1, Shae S London1
1Department of Chemistry, Georgetown University, 37th and O Streets NW, Washington, District of Columbia 20057-1227, United States.
Molecular Pharmaceutics
|October 18, 2023
Summary
Investigating niclosamide (NCL) solvates reveals desolvation is nucleation-limited, unlike hydrate forms. Different crystal structures influence solid-state desolvation pathways.
Area of Science:
- Solid-state chemistry
- Crystallography
- Materials science
Background:
- Niclosamide (NCL) exhibits diverse channel solvate forms, none isostructural.
- Understanding desolvation mechanisms is crucial for controlling solid-state transformations.
Purpose of the Study:
- To elucidate the desolvation mechanisms of niclosamide methanol and acetonitrile solvates.
- To compare desolvation pathways with previously studied NCL hydrate.
Main Methods:
- Time-resolved synchrotron powder X-ray diffraction
- Thermogravimetry
- Kinetic data analysis under isothermal heating
Main Results:
- Desolvation involves complex molecular trajectories with sudden lattice parameter shifts.
- Desolvation is primarily rate-limited by the nucleation of the solvent-free product.
- NCL solvate desolvation contrasts with hydrate desolvation, which involves diffusion and subsequent phase conversion.
Conclusions:
- Each solvate acts as a unique precursor, influencing desolvation pathways.
- Solvent binding strength and density impact solid-state desolvation processes.
- This study offers insights into controlling solid-state transformations of pharmaceutical compounds.
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