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Evaluation of solvents’ effect on solubility, intermolecular interaction energies and habit of ascorbic acid crystals

Hassan, Syajaratul Jahriah and Adam, Fatmawati and Abu Bakar, Mohd Rushdi and Abdul Mudalip, Siti Kholijah (2019) Evaluation of solvents’ effect on solubility, intermolecular interaction energies and habit of ascorbic acid crystals. Journal of Saudi Chemical Society, 23 (2). pp. 239-248. ISSN 1319-6103 E-ISSN 2212-4640

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Abstract

Solubility of active pharmaceutical ingredient (API) in solvents is very important for drug development and manufacturing. Solubility data may provide further information such as thermochemical properties and intermolecular interactions that may lead to a better understanding of the formation of API crystals. In this study, solubility of ascorbic acid was determined by gravimetric method in four different commonly used polar protic solvents: water, methanol, ethanol and 2-propanol. The solubility of ascorbic acid crystal was also predicted using Conductor-like Screening Model – Realistic Solvent (COSMO-RS) approach. In this computational analysis, the generated ΔG values are based on the solubilities that were experimentally obtained to simulate the intermolecular forces. The intermolecular interaction data from COSMO-RS provide an insight into the relationship between the intermolecular interactions and its crystal habit across four different polar protic solvents. The habit of the crystals was then determined using light microscopy and scanning electron microscopy techniques, while the polymorphic form of the crystals was identified by X-ray powder diffraction and single X-ray diffraction techniques. The solubility and characterization data showed that the solvents with high polarity increased the solubility of ascorbic acid. The data also showed that different solvent polarity influenced the crystal habit, but did not change the crystal structure to form a new polymorph. © 2018 King Saud University

Item Type: Article (Journal)
Additional Information: 6037/59774
Uncontrolled Keywords: Solubility, Intermolecular forces, Crystal habit, COSMO-RS
Subjects: R Medicine > RS Pharmacy and materia medica
R Medicine > RS Pharmacy and materia medica > RS192 Materia Medica-Pharmaceutical Technology
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button): Centre for Foundation Studies
Kulliyyah of Pharmacy
Kulliyyah of Pharmacy > Department of Pharmaceutical Technology
Depositing User: Dr Mohd Rushdi Abu Bakar
Date Deposited: 12 Mar 2019 15:36
Last Modified: 14 Oct 2019 15:10
URI: http://irep.iium.edu.my/id/eprint/59774

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