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All Journal The Journal of Pure and Applied Chemistry Research
Edi Priyo Utomo
Brawijaya University
Chemical Engineering, Chemistry & Bioengineering Chemistry Materials Science & Nanotechnology Medicine & Pharmacology

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Effect of Hydration and Oxidation Reactions of The Chemical Composition of Kaffir lime (Cytrus hystrix DC.) Oil Warsito Warsito; Edi Priyo Utomo; Siti Mariyah Ulfa
The Journal of Pure and Applied Chemistry Research Vol 5, No 2 (2016)
Publisher : Chemistry Department, The University of Brawijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (725.016 KB) | DOI: 10.21776/ub.jpacr.2016.005.02.225

Abstract

This research aims to determine changes of  the chemical composition in the hydration and oxidation reaction of Kaffir lime (Cytrus hystrix DC.) oil. The hydration reaction was carried out using a Amberlyst catalyst with variation time for 1.5, 3, and 4.5 hours. Furthermore, the oxidation process was carried out using PCC catalyst with variation time for 1, 1.5, and 3 hours. Then, the analysis of chemical composition was performed using GC-MS. The results showed that hydration reaction process for 1,5 hours has changed monoterpenes micrene and b-ocimen turned into linalool and it changes citronellal to be linalool, citronellol and dimer ether citronellyl citronellol. The longer process of hydration tends to increase the dimer ether citronellyl citronellol products. Within that process, it has turned citronellal into isopulegol and isopulegone. The longer oxidation will decrease  isopulegone products.
Profiling of The Lemongrass Oil Aroma and Their Structure-Odor Relationship: In Silico Study Udrika Lailatul Qodri; Edi Priyo Utomo; Elvina Dhiaul Iftitah
The Journal of Pure and Applied Chemistry Research Vol 6, No 2 (2017): Edition of May-August 2017
Publisher : Chemistry Department, The University of Brawijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (1139.901 KB) | DOI: 10.21776/ub.jpacr.2017.006.02.329

Abstract

Structure-odor relationship (SOR) has previously studied by semantic numerically in different Fragrance. We hypothesise that in silico method such as molecular dynamics, together with docking of the interaction between human olfactory receptor (OR1G1) and ligands, can offer extremely valuable tools of modelling SOR. Hence, the present study was carried out to express the SOR of citronellal oil fraction compare with reference smelling of floral, musk, green, wood, and fruit by employing docking and multiple discriminant analysis (MDA). Our study reveals that the number dissociation constant (Kd), bond distance, HOMO-LUMO (AE), dipole moment, kind of amino acids, Log P, surface area and hydropathy as the variable SOR from in silico anaysis. Our result has shown ligands and OR1G1 interacted with Van Der Waals and electrostatic model. MDA analysis shown molecule reference floral and fraction of lemongrass oil  have similar correlation based on variable SOR with linier regression of all variable SOR to Kd value for every reference odor is R2 = 1.  
Co-Authors Elvina Dhiaul Iftitah Siti Mariyah Ulfa Udrika Lailatul Qodri Warsito Warsito