Solvent Role in Molecular Recognition of Patchouli Extraction Process

Patchouli or Pogostemon cablin Benth is an aromatic plant of importance to the fragrant and cosmetic industries. Its secondary metabolites present interesting pharmacological benefits such as antioxidant and antimutagenic properties. This work is an extended study of the published work in ethanol an...

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Main Authors: Fatmawati, Adam, Siti Hana, A. B., Saiful Nizam, Tajuddin, M. M., Yusoff
Format: Article
Language:English
Published: Asian Publication Corporation 2016
Subjects:
Online Access:http://umpir.ump.edu.my/id/eprint/4770/1/fkksa-2016-fadam-Solvent%20Role%20in%20Molecular%20Recognition%20of%20Patchouli.pdf
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author Fatmawati, Adam
Siti Hana, A. B.
Saiful Nizam, Tajuddin
M. M., Yusoff
author_facet Fatmawati, Adam
Siti Hana, A. B.
Saiful Nizam, Tajuddin
M. M., Yusoff
author_sort Fatmawati, Adam
collection UMP
description Patchouli or Pogostemon cablin Benth is an aromatic plant of importance to the fragrant and cosmetic industries. Its secondary metabolites present interesting pharmacological benefits such as antioxidant and antimutagenic properties. This work is an extended study of the published work in ethanol and water solvents using Ewald summation method and mass spectra characterization of patchouli essential oil extracted with three different polar and non-polar solvents. Ewald summation method has reproduced a better radical distribution function (rdf) intensity in the polar ethanol and water solvents using COMPASS force-field. This work concludes that the complex molecular interaction particularly hydrogen bonding play a significant role to affect the solubility of patchoulol solute either in polar or non-polar solvents during the extraction process.
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spelling UMPir47702018-07-26T06:53:54Z http://umpir.ump.edu.my/id/eprint/4770/ Solvent Role in Molecular Recognition of Patchouli Extraction Process Fatmawati, Adam Siti Hana, A. B. Saiful Nizam, Tajuddin M. M., Yusoff QD Chemistry TP Chemical technology Patchouli or Pogostemon cablin Benth is an aromatic plant of importance to the fragrant and cosmetic industries. Its secondary metabolites present interesting pharmacological benefits such as antioxidant and antimutagenic properties. This work is an extended study of the published work in ethanol and water solvents using Ewald summation method and mass spectra characterization of patchouli essential oil extracted with three different polar and non-polar solvents. Ewald summation method has reproduced a better radical distribution function (rdf) intensity in the polar ethanol and water solvents using COMPASS force-field. This work concludes that the complex molecular interaction particularly hydrogen bonding play a significant role to affect the solubility of patchoulol solute either in polar or non-polar solvents during the extraction process. Asian Publication Corporation 2016 Article PeerReviewed application/pdf en cc_by_sa http://umpir.ump.edu.my/id/eprint/4770/1/fkksa-2016-fadam-Solvent%20Role%20in%20Molecular%20Recognition%20of%20Patchouli.pdf Fatmawati, Adam and Siti Hana, A. B. and Saiful Nizam, Tajuddin and M. M., Yusoff (2016) Solvent Role in Molecular Recognition of Patchouli Extraction Process. Asian Journal of Chemistry , 28 (6). pp. 1253-1257. ISSN 1253-1257. (Published) http://dx.doi.org/10.14233/ajchem.2016.19642 DOI: 10.14233/ajchem.2016.19642
spellingShingle QD Chemistry
TP Chemical technology
Fatmawati, Adam
Siti Hana, A. B.
Saiful Nizam, Tajuddin
M. M., Yusoff
Solvent Role in Molecular Recognition of Patchouli Extraction Process
title Solvent Role in Molecular Recognition of Patchouli Extraction Process
title_full Solvent Role in Molecular Recognition of Patchouli Extraction Process
title_fullStr Solvent Role in Molecular Recognition of Patchouli Extraction Process
title_full_unstemmed Solvent Role in Molecular Recognition of Patchouli Extraction Process
title_short Solvent Role in Molecular Recognition of Patchouli Extraction Process
title_sort solvent role in molecular recognition of patchouli extraction process
topic QD Chemistry
TP Chemical technology
url http://umpir.ump.edu.my/id/eprint/4770/1/fkksa-2016-fadam-Solvent%20Role%20in%20Molecular%20Recognition%20of%20Patchouli.pdf
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AT saifulnizamtajuddin solventroleinmolecularrecognitionofpatchouliextractionprocess
AT mmyusoff solventroleinmolecularrecognitionofpatchouliextractionprocess