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Indonesian Journal of Chemistry

ijc
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Published by Universitas Gadjah Mada

ISSN : 14119420 EISSN : 24601578 DOI : -

Core Subject : Science, Engineering,

Chemical Engineering, Chemistry & Bioengineering Chemistry

Indonesian Journal of Chemistry is an International, peer-reviewed, open access journal that publishes original research articles, review articles, as well as short communication in all areas of chemistry including applied chemistry. The journal is accredited by The Ministry of Research, Technology and Higher Education (RISTEKDIKTI) No : 21/E/KPT/2018 (in First Rank) and indexed in Scopus since 2012. Since 2018 (Volume 18), Indonesian Journal of Chemistry publish four issues (numbers) annually (February, May, August and November).

Arjuna Subject : -

Articles 1,450 Documents

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Manganese(III) Complexes with Tetradentate Schiff Base Ligands: IR, UV/Vis, Electrochemistry and Fluorescence Properties Eltayeb, Naser Eltaher
Indonesian Journal of Chemistry Vol 20, No 2 (2020)
Publisher : Universitas Gadjah Mada

Three trivalent manganese complexes have been synthesized, isolated, and characterized, namely, [MnCl(OH2)(Lx)].nH2O (I-III). Lx is a tetradentate Shiff base ligand, where Lx = LI, 2,2'-{1,2-phenylenebis [nitrilomethylylidene]}bis(phenolate), LII, 2,2'-{1,2-phenylenebis[nitrilomethylylidene]}bis(5-methoxyphenolate), and LIII, 2,2'-{1,2-phenylenebis[nitrilomethylylidene]}bis(4-methoxyphenolate), n = 1, 1.5 and 0 for I, II and III, respectively. These complexes were characterized using IR, elemental analysis and UV-Vis spectroscopy. In addition, the fluorescence, photoluminescence (PL), electrochemistry and thermal stability of these complexes were studied.

Structure-Based Design and Molecular Dynamics Simulations of Pentapeptide AEYTR as a Potential Acetylcholinesterase Inhibitor Prasasty, Vivitri Dewi; Istyastono, Enade Perdana
Indonesian Journal of Chemistry Vol 20, No 4 (2020)
Publisher : Universitas Gadjah Mada

Structure-based virtual screening protocol to identify potent acetylcholinesterase inhibitors was retrospectively validated. The protocol could be employed to examine the potential of designed compounds as novel acetylcholinesterase inhibitors. In a research project designing short peptides as acetylcholinesterase inhibitors, peptide AEYTR emerged as one of the potential inhibitors. This article presents the design of AEYTR assisted by the validated protocol and guided by literature reviews followed by molecular dynamics studies to examine the interactions of the pentapeptide in the binding pocket of the acetylcholinesterase enzyme. The molecular dynamics simulations were performed using YASARA Structure in Google Cloud Platform. The peptide AEYTR was identified in silico as a potent acetylcholinesterase inhibitor with the average free energy of binding (DG) of -19.138 kcal/mol.

DFT Study, POM Analyses and Molecular Docking of Novel Oxazaphosphinanes: Identification of Antifungal Pharmacophore Site Rachedi, Khadidja Otmane; Bahadi, Rania; Aissaoui, Mohamed; Hadda, Taibi Ben; Belhani, Billel; Bouzina, Abdeslem; Berredjem, Malika
Indonesian Journal of Chemistry Vol 20, No 2 (2020)
Publisher : Universitas Gadjah Mada

A computational Petra/Osiris/Molinspiration/DFT(POM/DFT) based model has been developed for the identification of physico-chemical parameters governing the bioactivity of series of oxazaphosphinanes derivatives 1a-1f containing potential antifungal O,N-pharmacophore. Molecular docking study was performed in order to evaluate synthesized compounds their possible antifungal properties and their interactions in the binding site. Molecular docking studies revealed that the compounds 1a-1f have the potential to become lead molecules in the drug discovery process. The six compounds 1aâ€“1f analyzed here were previously synthesized by our group.

Optimization Model on the Effect of Clove Oil, Formaldehyde, and Chitosan Added to Batik Fabric Colored with Gambier (Uncaria gambir Roxb): Antifungal Properties and Stability Rahayuningsih, Edia; Setiawan, Felix Arie; Ayanie, Conny Julanda; Antoko, Ambrosius Aditya; Ayuningtyas, Yosephine Intan; Petrus, Himawan Bayu
Indonesian Journal of Chemistry Vol 20, No 1 (2020)
Publisher : Universitas Gadjah Mada

Triggered by the concept of sustainability, the use of natural dyes in batik fabric processing has increased recently. To inhibit fungus growth on batik fabric colored with natural dyes, either clove oil or formaldehyde was added as an antifungal agent. To increase the stability of the interaction between the antifungal agent and the batik fabric, chitosan was used as a crosslinker. A modified version of the standard tests American Association of Textile Chemists and Colorists (AATCC) 30 and Response Surface Methodology (RSM) was applied as the characterization method. The results showed that the growth percentage of fungi in Batik treated with either clove oil or formaldehyde was much lower than that in the control sample. Growth of Aspergillus niger could be prevented by about 32% using clove oil and 94% using formaldehyde. The optimal condition was obtained with 1% chitosan as a crosslinking reagent, 15.91 ppm of formaldehyde, and 60-min immersion time, with absorbance intensity of formaldehyde crosslinking solution and fungus growth areas being 0.159 and 2.47%, respectively.

Optimization and Characterization of Wood Vinegar Produced by Shorea laevis Ridl Wood Pyrolysis Yoshimura, Tsuyoshi; Rusmiyanto, Elvi; Kustiati, Kustiati; Oramahi, Hasan Ashari
Indonesian Journal of Chemistry Vol 20, No 4 (2020)
Publisher : Universitas Gadjah Mada

In this study, the Box-Behnken Design (BBD) was employed to investigate the effects of wood particle size, pyrolysis temperature, and pyrolysis time on the production of wood vinegar from Indonesia â€œbengkiraiâ€ wood (Shorea laevis Ridl). Characterization of wood vinegar was conducted by gas chromatography-mass spectrometry (GC-MS). Three variable designs consisting of wood particle size (2.00, 2.38, and 3.36 mm), pyrolysis temperature (350, 400, and 450 Â°C), and pyrolysis time (105, 120, and 135 min) were employed in a BBD response surface methodology (RSM-BBD). RSM-BBD results suggested that maximum wood vinegar yield would be obtained with a wood particle size of 3.85 mm, pyrolysis temperature of 400 Â°C, and pyrolysis time of 93 min. In addition, the mathematical model indicated the maximum wood vinegar yield would be 30.31%. The main compounds in wood vinegar were acetic acid, 1-hydroxy-2-propanone, furfural, 2,3-pentanedione, phenol, 2-methoxy phenol, 2-methoxy-4-methyl phenol, 2,6-dimethoxy phenol, and 1,2,4-trimethoxybenzene.

Synthesis, Cytotoxicity Evaluation and Molecular Docking Study of N-Phenylpyrazoline Derivatives Suma, Artania Adnin Tri; Wahyuningsih, Tutik Dwi; Mustofa, Mustofa
Indonesian Journal of Chemistry Vol 19, No 4 (2019)
Publisher : Universitas Gadjah Mada

The synthesis of N-phenylpyrazolines 1-5 was performed by the cyclocondensation of phenylhydrazine and appropriate chalcones that have been synthesized from our previous work. All of the compounds were elucidated for their structure using GC-MS, FTIR, 1H, and 13C-NMR spectrometers. Their anticancer activity was evaluated against breast cancer cell line (T47D) and colorectal cancer cell line (WiDr). Compound 4 (4-(3-(4-chlorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl)-2-methoxyphenol) was found to be the most potent compound with IC50 value of 13.11 Âµg/mL in T47D cell line and 3.29 Âµg/mL in WiDr cell line. Docking study was conducted to evaluate the interaction between all compounds and EGFR receptor on cancer cells. Among the tested compounds, compound 4 is the only compound that has interaction with MET769 residue through hydrogen bonding due to the presence of hydroxyl group on its structure. Our findings suggest that the synthesized N-phenylpyrazolines in this study have a promising anticancer activity.

Overexpression of Lipase Gene from Alcaligenes sp. JG3 and its Activity toward Hydrolysis Reaction Haryono, Norman Yoshi; Haryadi, Winarto; Raharjo, Tri Joko
Indonesian Journal of Chemistry Vol 20, No 1 (2020)
Publisher : Universitas Gadjah Mada

Bacterial lipase holds an important role as a new source for many industrial catalysts. The investigation and understanding of the lipase-encoding gene become apparent as the key step for generating high-quality lipase as biocatalyst for many chemical reactions. In this study, bacterial lipase from Alcaligenes sp. JG3 was produced via overexpression gene method. This specific lipase was successfully overexpressed using pQE-30 vector and E. coli M15[pREP4] as host, producing His-tagged protein sized 46 kDa and was able to hydrolyze triacylglycerol from olive oil with the calculated unit activity and specific activity of 0.012 U and 1.175 U/mg respectively. The in silico investigation towards lipase JG3 revealed that it was categorized as ABC transporter protein as opposed to the conventional hydrolase family. Lastly, amino acid sequences SGSGKTT from lipase JG3 was highly conserved sequences and was predicted as the ATP-binding site but the catalytic triad of serine, histidine, and aspartate has not been solved yet.

Preliminary Study of Poly(Tetrahydrofurfuryl Acrylate) Thin Film as a Potential Material of Ion Selective Electrodes: The Case of Nitrate Ion-Selective Electrode Alva, Sagir; Suherman, Robi; Friliandita, Vivi; Khaerudini, Deni Shidqi; Majlan, Edy Herianto; Abd Aziz, Aiman Sajidah
Indonesian Journal of Chemistry Vol 20, No 3 (2020)
Publisher : Universitas Gadjah Mada

A preliminary study on the use of a photocurable poly-tetrahydrofurfuryl acrylate (pTHFA) has been successfully performed as an alternative membrane for application in the Ion-Selective Electrode (ISE) sensors such as Nitrate-ISE. The pTHFA membrane was synthesized using photopolymerization technique and further optimized by varying the concentration of the photo-initiator. The pTHFA photopolymer was characterized by C-NMR, H-NMR, FTIR, and DSC. The best sensing formulation comprising pTHFA photopolymer was obtained from composition II with Tg of -17.3 Â°C. In the Nitrate-ISE fabrication process, initially, the tetraoctylammonium nitrate (TOAN) ionophore was optimized. The optimum TOAN concentration of 4.2 mg was then immobilized onto composition II as a sensing matrix. Results showed that the pTHFA based ISE sensor exhibited a slope near the Nernstian number with a good linear response for detecting nitrate ion concentration between 10â€“1 to 10â€“4 M (r2 = 0.9994) and limit of detection as low as 3.47 Ã— 10â€“5 M. Furthermore, the selectivity behavior of pTHFA based nitrate-ISE sensor was determined in various types of interfering ions such as SO42â€“, H2PO4â€“, HPO42â€“, Clâ€“ and Iâ€“. The sensor has demonstrated selectivity coefficient of -2.27 Â± 0.2, -2.49 Â± 0.6, -2.18 Â± 0.8, -1.31 Â± 0.1 and 0.41 Â± 0.2, respectively. The fabricated pTHFA ISE-Nitrate sensor was further tested in the fish ponds, soils, and also rivers. The sensors have shown excellent performance and is comparable to the standard method.

Effect of Reaction Time and Stability Properties of Gold Nanoparticles Synthesized by p-Aminobenzoic Acid and p-Aminosalicylic Acid Aji, Abdul; Santosa, Sri Juari; Kunarti, Eko Sri
Indonesian Journal of Chemistry Vol 20, No 2 (2020)
Publisher : Universitas Gadjah Mada

In this work, we determined the influenced of the reaction time at the synthesis of gold nanoparticles (AuNPs) by p-aminosalicylic acid and p-aminobenzoic acid as reducing agent. Besides working as a reducing agent, the p-aminobenzoic acid and p-aminosalicylic acid also simultaneously played a role as a capping agent/stabilizing agent. Gold ion was first mixed with the pH adjusted p-aminobenzoic acid and p-aminosalicylic acid. The mixture then heated in boiling water at 86 Â°C. The formation of AuNPs was indicated by the appearance of red color and analyzed with UV/Vis spectrophotometry to evaluate their surface plasmon resonance (SPR) absorption in the wavelength range 400â€“800 nm. The reducing ability of the reducing agents was affected by its structure. Gold nanoparticles that were synthesized with p-aminosalicylic acid were more stable, faster and had a smaller size than its counterpart that is synthesized with p-aminobenzoic acid. The stability test over a periods 5 months showed that AuNPs were relatively stable.

Theoretical Study on Molecular Structure and Electronic Properties of New 1,3-Diaza-adamantan-6-ones Derivatives Abdulhasan, Haithem; Al-Yasari, Ahmed; Alasadi, Rahman
Indonesian Journal of Chemistry Vol 20, No 3 (2020)
Publisher : Universitas Gadjah Mada

In this study, the structural geometry and vibrational frequencies (IR) of 1,3-Diaza-adamantane-6-ones derivatives including Adamantane (A), 1,3-Diaza-adamantan (D), 1,3-Diaza-adamantan-6-one (DO), 5-Benzyl-1,3-diaza-adamantan-6-one (BD), 5-(4-Hydroxybenzyl)-1,3-diaza-adamantan-6-one (HBD), 5-(4-Methoxybenzyl)-1,3-diaza-adamantan-6-one (MBD), and 5-(4-Hydroxy-3-methoxybenzyl)-1,3-diaza-adamantan-6-one (HMBD) were theoretically studied. In addition, molecular orbital energies, including the highest occupied molecular orbitals (HOMOs), and lowest unoccupied molecular orbitals (LUMOs), and electronic properties of the titled molecules were theoretically studied using the computational method. Optimized molecular structures were obtained by DFT method with the hybrid B3LYP functional at a relatively small basis set of 6-31G. The calculated vibrational wavenumbers were obtained using the same level of the theory mentioned above. The contributions to the molecular orbitals of adamantane and substituted-phenyl groups in the title compounds were determined. Moving from A to HMBD, a decrease in the value of LUMO and total energy are noticed, while an increase in the value of HOMO is noted. These findings are supported by the decreasing in the EHOMO-LUMO gap values. Furthermore, a decrease in the value of ionization potential (IP) is obtained, while an increase in the electronegativity (EA) is observed.

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