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Journal : The Journal of Pure and Applied Chemistry Research

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.  
Green Microwave-assisted Synthesis of ZnO-Ag Nanocomposite using Clove Oil (Syzygium aromaticum L.) and Its Bioactivity against Staphylococcus aureus Elvina Dhiaul Iftitah; Rizki Wahyu Aji Wibowo; Masruroh Masruroh; Khoirun Nisyak
The Journal of Pure and Applied Chemistry Research Vol 9, No 2 (2020): Edition May-August 2020
Publisher : Chemistry Department, The University of Brawijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.jpacr.2020.009.02.513

Abstract

Microwave-assisted synthesis of zinc oxide-silver (ZnO-Ag) nanocomposite using clove (Syzygium aromaticum L.) oil has been investigated. Variation of solvents and irradiation time of microwave was studied. The product characterization was carried out using XRD, FT-IR, and SEM-EDS. The XRD analysis indicates ZnO-Ag nanocomposite has a polycrystalline structure. The ZnO peak was detected at 2θ = 31.99; 34.58 and 68.05, whereas the Ag peak was detected at 2θ = 38.36 and 44.49. The increasing of irradiation time reduces the crystallite size, and generally has size range between 9 and 12 nm. SEM-EDS confirmed the existence of the ZnO-Ag nanocomposite with percentage of Zn (46.89%), O (29.72%) and Ag (23.39%). Moreover, antibacterial evaluation on Staphylococcus aureus give the inhibition zone in 13.3 mm. This result slightly gives better activity than the reference.