Mahkota Dewa Subcritical Water Extraction Process: Experimental and Molecular Dynamics Simulation Study

Subcritical water extraction and molecular dynamics simulation were performed to investigate mangiferin and antioxidant extraction from Mahkota Dewa fruits at different operating temperatures. The mangiferin yield and antioxidant activity were analyzed using high‐performance liquid chromatography an...

Full description

Saved in:
Bibliographic Details
Published in:Chemical engineering & technology 2019-09, Vol.42 (9), p.1747-1756
Main Authors: Hashim, Nurmaryam Aini, Mudalip, Siti Kholijah Abdul, Harun, Noorlisa, Man, Rohaida Che, Sulaiman, Siti Zubaidah, Arshad, Zatul Iffah Mohd, Shaarani, Shalyda M., Azmir, Jannatul
Format: Article
Language:English
Subjects:
Antioxidant activity
Antioxidants
Diffusivity
Distribution functions
Hydrogen bonding
Liquid chromatography
Molecular dynamics
Molecular dynamics simulation
Operating temperature
Phaleria macrocarpa
Radial distribution
Subcritical water extraction
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Subcritical water extraction and molecular dynamics simulation were performed to investigate mangiferin and antioxidant extraction from Mahkota Dewa fruits at different operating temperatures. The mangiferin yield and antioxidant activity were analyzed using high‐performance liquid chromatography and 2‐diphenyl‐1‐picrylhydrazyl assay method, respectively. The diffusivity and intermolecular interactions were determined by mean squared displacement (MSD) and radial distribution function (RDF) analysis, respectively. The temperature exerts a momentous effect on mangiferin yield and antioxidant activity of the extract. The MSD result showed an increment in diffusivity coefficient of mangiferin with temperature. The RDF analysis revealed hydrogen bonding formations between mangiferin and water through OH2O••HMR4(OH1) interaction that plays a role in the extraction process. Significant mangiferin and antioxidant yields from Mahkota Dewa fruits were obtained by subcritical water extraction. Molecular dynamic simulation revealed the diffusivity and intermolecular interactions at different extraction temperatures complementing the experimental results. The temperature proved to impose a substantial effect on mangiferin yield and antioxidant activities of the extract.
ISSN:0930-7516
1521-4125
DOI:10.1002/ceat.201800638