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

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...

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Main Authors:	Hassan, Syajaratul Jahriah, Adam, Fatmawati, Abu Bakar, Mohd Rushdi, Abdul Mudalip, Siti Kholijah
Format:	Article
Language:	English English English
Published:	Elsevier B.V. 2019
Subjects:	RS Pharmacy and materia medica RS192 Materia Medica-Pharmaceutical Technology
Online Access:	http://irep.iium.edu.my/59774/ http://irep.iium.edu.my/59774/ http://irep.iium.edu.my/59774/ http://irep.iium.edu.my/59774/1/59774_Evaluation%20of%20solvents%E2%80%99%20effect%20on%20solubility.pdf http://irep.iium.edu.my/59774/2/59774_Evaluation%20of%20solvents%E2%80%99%20effect%20on%20solubility_SCOPUS.pdf http://irep.iium.edu.my/59774/3/59774_Evaluation%20of%20solvents%E2%80%99%20effect%20on%20solubility_WOS.pdf

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spelling	iium-597742019-12-29T09:24:45Z http://irep.iium.edu.my/59774/ Evaluation of solvents’ effect on solubility, intermolecular interaction energies and habit of ascorbic acid crystals Hassan, Syajaratul Jahriah Adam, Fatmawati Abu Bakar, Mohd Rushdi Abdul Mudalip, Siti Kholijah RS Pharmacy and materia medica RS192 Materia Medica-Pharmaceutical Technology 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 Elsevier B.V. 2019-02 Article PeerReviewed application/pdf en http://irep.iium.edu.my/59774/1/59774_Evaluation%20of%20solvents%E2%80%99%20effect%20on%20solubility.pdf application/pdf en http://irep.iium.edu.my/59774/2/59774_Evaluation%20of%20solvents%E2%80%99%20effect%20on%20solubility_SCOPUS.pdf application/pdf en http://irep.iium.edu.my/59774/3/59774_Evaluation%20of%20solvents%E2%80%99%20effect%20on%20solubility_WOS.pdf 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 https://www.sciencedirect.com/science/article/pii/S1319610318300826#! 10.1016/j.jscs.2018.07.002
repository_type	Digital Repository
institution_category	Local University
institution	International Islamic University Malaysia
building	IIUM Repository
collection	Online Access
language	English English English
topic	RS Pharmacy and materia medica RS192 Materia Medica-Pharmaceutical Technology
spellingShingle	RS Pharmacy and materia medica RS192 Materia Medica-Pharmaceutical Technology Hassan, Syajaratul Jahriah Adam, Fatmawati Abu Bakar, Mohd Rushdi Abdul Mudalip, Siti Kholijah Evaluation of solvents’ effect on solubility, intermolecular interaction energies and habit of ascorbic acid crystals
description	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
format	Article
author	Hassan, Syajaratul Jahriah Adam, Fatmawati Abu Bakar, Mohd Rushdi Abdul Mudalip, Siti Kholijah
author_facet	Hassan, Syajaratul Jahriah Adam, Fatmawati Abu Bakar, Mohd Rushdi Abdul Mudalip, Siti Kholijah
author_sort	Hassan, Syajaratul Jahriah
title	Evaluation of solvents’ effect on solubility, intermolecular interaction energies and habit of ascorbic acid crystals
title_short	Evaluation of solvents’ effect on solubility, intermolecular interaction energies and habit of ascorbic acid crystals
title_full	Evaluation of solvents’ effect on solubility, intermolecular interaction energies and habit of ascorbic acid crystals
title_fullStr	Evaluation of solvents’ effect on solubility, intermolecular interaction energies and habit of ascorbic acid crystals
title_full_unstemmed	Evaluation of solvents’ effect on solubility, intermolecular interaction energies and habit of ascorbic acid crystals
title_sort	evaluation of solvents’ effect on solubility, intermolecular interaction energies and habit of ascorbic acid crystals
publisher	Elsevier B.V.
publishDate	2019
url	http://irep.iium.edu.my/59774/ http://irep.iium.edu.my/59774/ http://irep.iium.edu.my/59774/ http://irep.iium.edu.my/59774/1/59774_Evaluation%20of%20solvents%E2%80%99%20effect%20on%20solubility.pdf http://irep.iium.edu.my/59774/2/59774_Evaluation%20of%20solvents%E2%80%99%20effect%20on%20solubility_SCOPUS.pdf http://irep.iium.edu.my/59774/3/59774_Evaluation%20of%20solvents%E2%80%99%20effect%20on%20solubility_WOS.pdf
first_indexed	2023-09-18T21:24:42Z
last_indexed	2023-09-18T21:24:42Z
_version_	1777412113872977920

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

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