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JURNAL KIMIA SAINS DAN APLIKASI
Published by Universitas Diponegoro
ISSN : 14108917     EISSN : 25979914     DOI : -
Core Subject : Science, Engineering,
Chemical Engineering, Chemistry & Bioengineering Chemistry Engineering
urnal Kimia Sains dan Aplikasi (p-ISSN: 1410-8917) and e-ISSN: 2597-9914) is published by Department of Chemistry, Diponegoro University. This journal is published four times per year and publishes research, review and short communication in field of Chemistry.
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Articles 5 Documents
 1 
Search results for , issue "Vol 25, No 12 (2022): Volume 25 Issue 12 Year 2022" : 5 Documents clear
Interaction Mechanism of Inhibition of Palmitic Acid and α Selinene Targeting FabH and FabI Enzymes in Escherichia coli: In Silico Study Tia Aulia; Nies Suci Suci Mulyani; Mukhammad Asy'ari
Jurnal Kimia Sains dan Aplikasi Vol 25, No 12 (2022): Volume 25 Issue 12 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.25.12.427-435

Abstract

Investigation studies of the interaction mechanism of palmitic acid and α-selinene in inhibiting FabH and FabI enzymes have been studied using an in silico approach. FabH (Beta-Ketoacyl-ACP Synthase III) and FabI (Enoyl-acyl carrier protein reductase) enzymes are two enzymes that are targets for the inhibition of candidate antibacterial compounds. This study aimed to determine the strongest candidate between palmitic acid and α-selinene as an antibacterial agent for Escherichia coli. The method used in this study is a random and directed molecular docking method using the Autodock Vina program, which is integrated into PyRx 0.8 software. The results of the molecular docking simulation include the pattern and strength of interaction between the ligand and the FabI and FabH enzymes. The interaction pattern includes the cluster pattern, the ligand poses on the protein surface, and the interaction strength based on the binding affinity value. Based on the results of random docking simulation data analysis, it was shown that the majority of α-selinene occupied the position of cluster 1 of the FabI enzyme and palmitic acid in cluster 2 of the FabH enzyme. Based on the binding affinity value, palmitic acid has a weaker interaction strength on the FabH enzyme (-5.7 kcal/mol) than on the FabI enzyme (-7.1 kcal/mol). The interaction strength of α-selinene on the FabI enzyme (-7.3 kcal/mol) was stronger than that of the FabH enzyme (-6.9 kcal/mol). The interaction strength of α-selinene in both FabI and FabH enzymes was greater than that of palmitic acid. α-selinene is projected to have a better potential as an antibacterial agent against Escherichia coli than palmitic acid based on its greater interaction strength.
Synthesis of Lead Oxide Using the Oxidizing Agent (NH4)2S2O8 with Variaous Amounts of NaOH for Decolorization of Remazol Black B Solution Meiske Erdinarini Anggita; Abdul Haris; Didik Setiyo Widodo
Jurnal Kimia Sains dan Aplikasi Vol 25, No 12 (2022): Volume 25 Issue 12 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.25.12.436-441

Abstract

In this study, the lead oxide has been successfully synthesized using oxidizing agents (NH4)2S2O8 and applied to decolorize the Remazole Black B (RBB) solution. Lead oxide was synthesized by the batch method through the mechanism of reduction-oxidation and characterized using SEM-EDX and XRD. Decolorizing RBB solution was performed using a modified Fenton method. This study aims to determine the optimum performance of RBB decolorization from lead oxide. The results showed that the crystal formed contains Pb and O. Pb oxide obtained was α-PBO2 with the orthorhombic crystal system. Based on characterization, the lead oxide obtained has a surface morphology of coral flowers-like. Synthesis utilizing equilibrium composition (1:2) and a drying temperature of 100°C yielded Pb oxide, which has a better potential as a modifier in RBB decolorization with a decolorization percentage of 80.07%. The process was then carried out for advanced synthesis less and excess of molar variations. The ratio of lead oxide: NaOH (1:4) showed optimum performance in decolorizing RBB with a decolorization percentage of 80.07 %.
Effect of Ascorbic Acid Concentration on Cu2O Production for Photoelectrochemical Water Splitting on Photocathode Thin Films Kharisma Luthfiaratri Rahayu; Abdul Haris; Gunawan Gunawan
Jurnal Kimia Sains dan Aplikasi Vol 25, No 12 (2022): Volume 25 Issue 12 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.25.12.442-449

Abstract

Hydrogen energy has great potential as a renewable energy source. Electrochemical water-splitting can be employed to obtain hydrogen by converting solar energy into hydrogen. In this study, Cu2O thin film electrodes have been successfully synthesized using ascorbic acid using the spin coating method. This study aimed to determine the effect of ascorbic acid in manufacturing Cu2O semiconductors as photocathodes and their activity for electrochemical water-splitting. The results indicated that ascorbate affected the photon current and onset potential of the Cu2O semiconductor. The synthesis results found that Cu2O at C1 (lower concentration than Cu2+) yielded 95.69%, and the yield for Cu2O at C2 (concentration equal to Cu2+) was 96.2%. The yield for Cu2O at C3 (concentration greater than Cu2+) was 99.82%. The photon currents generated by adding 3%, 6%, and 9% ascorbate solution were 1.18, 1.69, and 1.78 mA/cm2, respectively, at 0.3 V vs. RHE (Reversible Hydrogen Electrode). X-ray diffraction analysis revealed that the sample consisted of Cu2O C3 with an average grain size of 17.55 nm. Meanwhile, Cu2O C1 and Cu2O C2 had average grain sizes of 38.99 nm and 36.42 nm, respectively. SEM analysis showed the presence of Cu2O with a cuboid and flower-like morphology. EDX analysis showed that the samples contained elements of Cu: O, 73.97%: 26.03%; 79.89%: 20.11% and 98.43%: 1.57% respectively.
Isolation and Antioxidant Activity of Flavonoid Compound in Ethanolic Extract of Celery Leaves (Apium graveolens L.) Alifa Husnun Kholieqoh; Khairul Anam; Dewi Kusrini
Jurnal Kimia Sains dan Aplikasi Vol 25, No 12 (2022): Volume 25 Issue 12 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.25.12.450-455

Abstract

Celery (Apium graveolens L.) is a plant that belongs to the Apiaceae family and is widely used as a medical plant for low blood pressure, heart tonic, and to prevent cardiovascular disease. This study aims to obtain flavonoid compounds, identify, and test the antioxidant activity of flavonoid compounds and crude extracts from celery leaves. The research procedures consisted of four steps, the first of which was a preliminary test. The second step involved isolating and separating flavonoid components by vacuum liquid chromatography, gravitational column chromatography, and preparative thin layer chromatography. The third step was to identify flavonoid compounds using reagent shift, FTIR, and LCMS/MS. And finally, antioxidant activity was evaluated using the DPPH method. The preliminary test result showed that the ethanolic extract of leaves and stems had a total flavonoid content of 13.99 and 2.46 mg QE/g of dry weight. Both dry leaves and crude extract of celery leaves contained alkaloids, saponin, flavonoid, tannin, quinone, and steroid/triterpenoid, as determined by phytochemical screening. Isolation and separation of flavonoids yielded A2.I and A2.II isolates, with respective weights of 8 mg and 14 mg. Identification of flavonoid compounds using reagent shift showed that two isolates have the basic structure of the flavone group. A2.I isolate had OH groups at 4’, 5, and 7, while A2.II isolate had OH groups at 3’, 4’, 5, and 7. The FTIR analysis revealed that both compounds contain functional groups, including O-H, C=O, C=C aromatic, C-O ether, C-O alcohol, and C-H aromatic ring. According to LCMS/MS analysis, the molecular weights of A2.I and A2.II were 270 g/mol and 286 g/mol, respectively. All of the identification methods for isolates showed that A2.I was apigenin and A2.II was luteolin. Antioxidant activity by DPPH method for a viscous extract of celery leaves, A2.I, and A2.II were 775.41, 288.95, and 184.35 µg/mL, respectively.
Isolation, Identification, and Antioxidant Activity of Flavonoid Compounds in the Ethanol Extract in Bandotan Leaves (Ageratum conyzoides) Siti Mutingatun; Enny Fachriyah; Dewi Kusrini
Jurnal Kimia Sains dan Aplikasi Vol 25, No 12 (2022): Volume 25 Issue 12 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.25.12.456-466

Abstract

Isolation of flavonoid compounds from the ethanol extract of Bandotan leaves (Ageratum conyzoides L.) has been successfully conducted. The structure of flavonoid isolates was identified using UV-Vis spectrophotometry with the addition of shear reagents and FTIR. In addition, the antioxidant activity of the isolates was determined and studied using the DPPH (2,2-Diphenyl-1-picrylhydrazyl) method. This study aimed to isolate, identify, and test the antioxidant activity of flavonoid compounds from Bandotan leaves. An antioxidant activity test was carried out on ethanol extract, and flavonoid isolates using the DPPH method. Based on this research, Bandotan leaf ethanol extract yielded 13.964%. The results of the phytochemical screening test revealed that the leaf powder and ethanol extract of Bandotan leaves contained alkaloids, flavonoids, saponins, tannins, quinones, steroids, and triterpenoids. The total flavonoid content of the ethanol extract of Bandotan leaves was 129.27 mg EQ/g extract. Identification of flavonoid isolates using a UV-Vis spectrophotometer showed that flavonoid isolates belong to the flavanone compound class with maximum absorption at a wavelength of 315 nm (band I) and 280 nm (band II). FTIR analysis showed that the flavonoid isolates had functional groups O-H, C-H aromatics, C-H alkanes, C=O, C=C aromatics, C-O ethers, C-O alcohols, and substituted aromatic rings. Identification of the structure of flavonoid isolates with a spectrophotometer with the addition of shear reagent and FTIR, presumably that the isolate was a 4’-hydroxy flavanone compound. The antioxidant activity of ethanol extract showed moderate antioxidant activity (IC50 118.19 µg/mL) and was classified as very weak (IC50 1185.5 µg/mL).

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