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:	Shajaratul Jahriah, Hassan, Fatmawati, Adam, M. R., Abu Bakar, Siti Kholijah, Abdul Mudalip
Format:	Article
Language:	English
Published:	Elsevier 2019
Subjects:	TP Chemical technology
Online Access:	http://umpir.ump.edu.my/id/eprint/21863/ http://umpir.ump.edu.my/id/eprint/21863/ http://umpir.ump.edu.my/id/eprint/21863/ http://umpir.ump.edu.my/id/eprint/21863/1/Evaluation%20of%20solvents%E2%80%99%20effect%20on%20solubility-INPRESS.pdf

id	ump-21863
recordtype	eprints
spelling	ump-218632019-05-02T08:05:31Z http://umpir.ump.edu.my/id/eprint/21863/ Evaluation of solvents’ effect on solubility, intermolecular interaction energies and habit of ascorbic acid crystals Shajaratul Jahriah, Hassan Fatmawati, Adam M. R., Abu Bakar Siti Kholijah, Abdul Mudalip TP Chemical 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. Elsevier 2019 Article PeerReviewed pdf en cc_by_nc_nd_4 http://umpir.ump.edu.my/id/eprint/21863/1/Evaluation%20of%20solvents%E2%80%99%20effect%20on%20solubility-INPRESS.pdf Shajaratul Jahriah, Hassan and Fatmawati, Adam and M. R., Abu Bakar and Siti Kholijah, Abdul Mudalip (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 https://doi.org/10.1016/j.jscs.2018.07.002 https://doi.org/10.1016/j.jscs.2018.07.002
repository_type	Digital Repository
institution_category	Local University
institution	Universiti Malaysia Pahang
building	UMP Institutional Repository
collection	Online Access
language	English
topic	TP Chemical technology
spellingShingle	TP Chemical technology Shajaratul Jahriah, Hassan Fatmawati, Adam M. R., Abu Bakar Siti Kholijah, Abdul Mudalip 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.
format	Article
author	Shajaratul Jahriah, Hassan Fatmawati, Adam M. R., Abu Bakar Siti Kholijah, Abdul Mudalip
author_facet	Shajaratul Jahriah, Hassan Fatmawati, Adam M. R., Abu Bakar Siti Kholijah, Abdul Mudalip
author_sort	Shajaratul Jahriah, Hassan
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
publishDate	2019
url	http://umpir.ump.edu.my/id/eprint/21863/ http://umpir.ump.edu.my/id/eprint/21863/ http://umpir.ump.edu.my/id/eprint/21863/ http://umpir.ump.edu.my/id/eprint/21863/1/Evaluation%20of%20solvents%E2%80%99%20effect%20on%20solubility-INPRESS.pdf
first_indexed	2023-09-18T22:32:16Z
last_indexed	2023-09-18T22:32:16Z
_version_	1777416364934299648

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

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