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INDONESIA
Indonesian Journal of Chemistry
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 25 Documents
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Search results for , issue "Vol 22, No 2 (2022)" : 25 Documents clear
The Optimization of Silica-Based Composite Membrane from Volcanic Ash of Mount Sinabung, Titanium Dioxide, and Polyvinyl Alcohol for River Water Treatment through Photocatalyst Process Moraida Hasanah; Timbangen Sembiring; Zuriah Sitorus; Syahrul Humaidi; Fynnisa Zebua; Rahmadsyah Rahmadsyah
Indonesian Journal of Chemistry Vol 22, No 2 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.70989

Abstract

The application of composite membranes consisting of SiO2 from the volcanic ash of Mount Sinabung, TiO2, and PVA on a laboratory scale has been investigated to improve the Silau River’s water quality in Asahan Regency. The purpose of this study is to determine the optimal combination of SiO2, TiO2, and PVA for treating river water to minimize its heavy metal content and color intensity to achieve clean water requirements. The membranes were prepared by drop-casting with varied compositions of PVA/40TiO2/60SiO2, PVA/60TiO2/40SiO2, PVA/80TiO2/20SiO2, and PVA/100TiO2/0SiO2. PVA was dissolved in aquadest, mixed with SiO2 and TiO2, then imprinted and dried for 24 h at 50 °C. A photocatalyst test was performed on each composition variation to see how the Silau River water’s color changed over time. The PVA/80TiO2/20SiO2 membrane’s composition fluctuated the highest during photocatalyst testing, with 45.95% degradation. The parameter results on the Silau River water test, namely turbidity, color, and chromium values, were reduced by photocatalysis of a PVA/80TiO2/20SiO2 composite membrane to 16 NTU, 30 TCU, and 0.013 mg/L, respectively. These results met the clean water quality criteria specified by Minister of Health of the Republic of Indonesia Decree No. 416/MENKES/PER/IX/1990.
Profiling Metabolites through Chemometric Analysis in Orthosiphon aristatus Extracts as α-Glucosidase Inhibitory Activity and In Silico Molecular Docking Faizal Maulana; Alfari Andiqa Muhammad; Ali Umar; Fachrur Rizal Mahendra; Muhammad Musthofa; Waras Nurcholis
Indonesian Journal of Chemistry Vol 22, No 2 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.71334

Abstract

Orthosiphon aristatus (called kumis kucing in Indonesia) is a valuable herb for diabetes mellitus treatment. In this study, LC-MS/MS and PCA analyses were used to investigate the metabolite profile, classify O. aristatus extracts, and assess the inhibitory activity of a-glucosidase and the probable bioactive compounds through in silico study. Results showed that the methanol and ethanol extracts of O. aristatus were active in α-glucosidase inhibitory activity. Both extracts contained 86 compounds as known from the LC-MS/MS analysis. PCA analysis identified 10 metabolites that correlated with α-glucosidase inhibitory activity. Results of in silico analysis obtained rosmarinic acid compound potentially act as anti-diabetic activity, which can be developed for further research.
Computational Design of Nanobody Binding to Cortisol to Improve Their Binding Affinity Using Molecular Docking and Molecular Dynamics Simulations Umi Baroroh; Nur Asni Setiani; Irma Mardiah; Dewi Astriany; Muhammad Yusuf
Indonesian Journal of Chemistry Vol 22, No 2 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.71480

Abstract

Currently, nanobody binding cortisol has been deposited in the database. Unfortunately, the affinity is still in micromolar order. Substituting hydrophobic residues in the binding pocket and utilizing CDR2 and CDR3 is the strategy to improve the affinity. A single and double substitution at positions 53 and 101 have been introduced to the nanobody structure through molecular modeling. The affinity toward cortisol was evaluated using molecular docking to get the binding pose. The highest binding energy pose was used as the initial coordinate to analyze further using 100 ns molecular dynamics simulations. The binding affinities calculated by MMGBSA showed that MT3, MT5, and MT6 have better binding affinity than WT. In contrast, the ligand movement through MD simulations reveals that MT1, MT3, and MT5 are relatively stable. Hence, docking and MD simulations showed that MT3 is the best mutant than others. This mutant is substituting the threonine to isoleucine at position 53. New hydrophobic interactions occurred and caused the increase of binding. Eventually, this study provides valuable structural information to improve the binding affinity of nanobody binding cortisol for further development of this molecule to antibody-based biosensor design. 
Identification α-Amylase Inhibitors of Vernonia amygdalina Leaves Extract Using Metabolite Profiling Combined with Molecular Docking Norainny Yunitasari; Tri Joko Raharjo; Respati Tri Swasono; Harno Dwi Pranowo
Indonesian Journal of Chemistry Vol 22, No 2 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.71499

Abstract

Vernonia amygdalina was reported to be used as a therapy for Diabetes Mellitus (DM). One of the mechanisms of therapy DM was to inhibit the action of the α-amylase enzyme. This study aimed to prove the presence of compounds that could inhibit the action of α-amylase. Vernonia amygdalina leaves were macerated with methanol and partitioned into n-hexane, dichloromethane (DCM), and ethyl acetate (EtOAc). Furthermore, they were tested for α-amylase inhibitory activity and analyzed using liquid chromatography-high resolutions mass spectrometry (LC-HRMS). Molecular docking and molecular dynamics simulation (MD simulation) examined unique compounds in the extract with good activity and chromatogram results. The EtOAc extracts showed potential as α-amylase inhibitors indicated by their IC50 values, namely 3.0 μg/mL. There are five unique compounds in the EtOAc extract predicted as 3-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxy-6-(2-phenylethyl)benzoic acid (compound 1), 2-hexylpentanedioic acid (compound 2), (2E,4E)-5-[1-hydroxy-2,6-dimethyl-4-oxo-6-({3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] oxy}methyl)cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid (compound 3), 3,5,5-trimethyl-4-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-1-yl)oxy}butyl)cyclohex-2-en-1-one (compound 4), and 2-{[(6E)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-yl]oxy}-6-(hydroxymethyl)oxane-3, 4,5-triol (compound 5). The molecular docking analysis showed that compound 3 had better interaction energy (Ei) (-8.59 kcal/mol) and inhibition constant (Ki) values (0.503 μM) than acarbose. These data were supported by MD simulations based on the parameters of RMSD value, the radius of gyration, and protein-ligand interaction energy.
Microstructural Analysis and Antibacterial Response of Zn2+/Mg2+ Dual Doped β-Tricalcium Phosphate Bioceramics Ammar Zeidan Alshemary; Huda Basim Qasim; Ali Taha Saleh
Indonesian Journal of Chemistry Vol 22, No 2 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.72286

Abstract

This article evaluates the impact of the addition of zinc (Zn) and magnesium (Mg) on the structural, morphological, and antibacterial characteristics of β-tricalcium phosphates (hereafter called Zn/Mg-βTCP) prepared using the microwave (MW) assisted wet precipitation method in which the Ca deficient apatite [Ca9-(x+y)MgxZny(HPO4)(PO4)5 (OH)] was calcined for 2 h at 1000 °C. The prepared samples were characterized using XRD, FTIR, and FESEM measurements. The XRD patterns of the samples showed a steady decrease in the lattice parameters with an increase in Mg2+ and Zn2+ content. The FESEM images of the samples disclosed the morphological changes due to the Mg2+/Zn2+ co-doping. The inclusion of Mg2+ and Zn2+ into the βTCP was shown to induce excellent bioactivities that were absent in the pristine βTCP. Enhancement, coupled with good antimicrobial properties against Escherichia coli (E. coli), suggests that Mg2+/Zn2+ co-doping TCP can be developed further into antibacterial bone cement. As synthesized, it would be considered a potential biomaterial for orthopedic applications.

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