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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 1,956 Documents
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Bioactive Compound Profile and Biological Modeling Reveals the Potential Role of Purified Methanolic Extract of Sweet Flag (Acorus calamus L.) in Inhibiting the Dengue Virus (DENV) NS3 Protease-Helicase Yuli Arif Tribudi; Ayu Tri Agustin; Dian Eka Setyaningtyas; Dwi Gusmalawati
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.68317

Abstract

Dengue fever is an infectious disease caused by the dengue virus, and there is no yet effective drug to treat this disease successfully. Our study aimed to identify the bioactive compounds of Acorus calamus L. and its potential role in inhibiting dengue virus NS3 protease-helicase. Liquid Chromatography-Mass Spectrometry analyzed phytochemical constituents. Drug-likeness of the predominant compound methanol extract of Acorus calamus L. was investigated through the SWISS ADME server. Complex molecular interactions were investigated by Hex 8.0 docking program and Discovery studio 2016. Our study revealed that the five largest phytochemicals in the extract were acoric acid, acorone, acoradin, acoronene, and calamendiol. All predominant compounds are potent to be developed as drug candidates. Molecular docking results showed that the five compounds bind to the Arg599, Pro291, Lys388, Pro431, and His487 of the dengue virus NS3 protease-helicase, the ligand-binding site that plays an essential role in viral replication. The ligand-protein binding pattern exhibited hydrogen and hydrophobic interactions. The interaction of the acoradin-NS3 protease-helicase complex had the lowest binding energy of -299.7 kcal/mol. In summary, we conclude that Acorus calamus L. extract may have prospects as a drug for dengue virus infection.
Effect of Physicochemical Process Variables on Natural Indigo Dye Production from Strobilanthes cusia Leaves by Response Surface Methodology Edia Rahayuningsih; Wachid Siti Fatimah; Mukmin Sapto Pamungkas; Taranipa Marfitania
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.68335

Abstract

The recovery process of indigoid compounds involves enzymatic hydrolysis of indigo precursors continued by oxidation reaction to synthesize indigo pigment. The purpose of this research was to evaluate the effect of physicochemical process variables, i.e., temperature, time, and pH aeration, on indigo yield from Strobilanthes cusia leaves. Small leaf pieces were immersed in distilled water and heated at temperatures (40, 50, and 60 °C) and duration (1, 2, and 3 h). The extract was aerated at different pHs (8, 10, and 12) to form the indigo product. The indigo concentration was quantified through a visible spectrophotometer and high-performance liquid chromatography (HPLC). The optimized condition for indigo production was studied using response surface methodology (RSM). Temperature, time, and interaction between temperature and time significantly affected the indigo yield. The optimized conditions for extraction of indigo dyes were determined to be at 60 °C for 1 h and pH 8 for maximizing the indigo yield. On that condition, the indigo concentration quantified by HPLC was 1.15% (w/v) which was lower than that by the spectrophotometry. By spectrophotometric analysis, the actual indigo content of 1.68% (w/v) on that optimum condition was close to the predicted indigo content of 1.77% (w/v) using RSM.
Metabolite Profiling of Ebony (Diospyros celebica Bakh) Leaves and Wood Extracts Using LC-MS/MS Dien Atin Boritnaban; Alfi Hudatul Karomah; Dewi Anggraini Septaningsih; Muhammad Majiidu; Fifi Gus Dwiyanti; Iskandar Zulkarnaen Siregar; Mohamad Rafi
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.68529

Abstract

Ebony (Diospyros celebica Bakh) is an endemic forest tree species found in Sulawesi whose basic information on its metabolite profile is still lacking. The objective of this research was to separate and identify putatively metabolite present in the leaves and wood of ebony across Sulawesi. Separation and identification of ebony metabolites were carried out using UHPLC-Q-Orbitrap HRMS analysis. Using ultrasonication with ethanol as the extracting solvent, we used powdered ebony leaves and wood. The results showed that the metabolites contained in the leaves and wood of ebony were 59 metabolites. About 14 compounds were found in the leaves and wood, 21 compounds in the wood, and 24 compounds in the leaves. The identified metabolites are flavonoids, terpenoids, amino aldehydes, alkaloids, quinones, steroids, amino acids, fatty acids, and saccharides. Clustering of ebony using principal component analysis obtained leaves and wood groups using peak area of known compounds as the variable.
Selecting Suitable Functionals and Basis Sets on the Study Structural and Adsorption of Urea-Kaolinite System Using Cluster Method Nur Najwa-Alyani Mohd Nabil; Lee Sin Ang
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.68599

Abstract

Kaolinite is an essential mineral with numerous applications across many sectors. One of them is in the agricultural industry, in which it is a crucial component in the method of controlled-release fertilizer. This manuscript reports the use of different functionals and basis sets on the structural and electronic properties of kaolinite's surface, intending to find reliable methods among those tested. Four different functionals, B3LYP, CAM-B3LYP, M06-2X, TPSSTPSS, complemented with various basis sets, were used in this study. The results show that TPSSTPSS complement with 6-311G** provides good agreement with previous research and experimental results among different functionals and basis sets used. The quantitative analysis was done to optimize the kaolinite molecule. Selected extrema points were used to place the urea molecule for the interaction of urea-kaolinite studies. The urea's interaction with kaolinite was reported at a different interaction site in the gas phase and different orientations of the urea molecule. Urea molecule was optimized above the Al–O and Si–O surfaces with their energy difference calculated. Our results showed that both surfaces act as promising adsorbents among the different orientations of the urea on both the Al–O and Si–O surfaces. However, Al–O, and Si–O had another preferable interaction site to the urea molecules.
Silicon Carbide/Polysilazane Composite: Effect of Temperature on the Densification, Phase, and Microstructure Evolution Fiqhi Fauzi; Alfian Noviyanto; Pipit Fitriani; Amirudin Wibowo; Toto Sudiro; Didik Aryanto; Nurul Taufiqu Rochman
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.69118

Abstract

This paper reports a route to suppress the grain growth in silicon carbide (SiC) during its sintering by combining it with polysilazane (PSZ). SiC was mixed with PSZ in a 1:1 weight ratio and sintered at 1600, 1700, and 1800 °C in a hot-pressing furnace. A satisfactory density was obtained at sintering temperatures > 1600 °C. The grain sizes of the SiC/PSZ composites sintered at 1700 and 1800 °C were 112 and 125 nm, respectively. The grain shape of the SiC/PSZ composite sintered at 1700 °C was circular and mainly similar to the initial shape of the SiC powder. Grain shape accommodation was observed at a sintering temperature of 1800 °C. It is suggested that different sample shapes were affected by different liquid phase formations. Silicon oxynitride (Si2N2O) was formed and played an important role in densification and microstructure generation.
Antioxidant Analysis of Kawa Daun (Coffea canephora) Beverage by In Vitro and In Silico Approaches Ifwarisan Defri; Nurheni Sri Palupi; Setyanto Tri Wahyudi; Nancy Dewi Yuliana
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.69422

Abstract

In Tanah Datar Regency, West Sumatra, Indonesia, the waste of pruning coffee leaves (Coffea canephora) is utilized as a traditional beverage called "Kawa Daun". For a consistent quality of Kawa Daun functional beverage, we evaluated the effect of different smoking times (0, 2, 4, and 6 h) on its in vitro DPPH antioxidant activity. Estimation of antioxidant components from the coffee leaf was conducted in silico using Peroxiredoxin V (PrxV) with 3MNG code as a receptor, and 33 phytochemicals were reported to be present in the coffee leaves as ligands. As a result, Kawa Daun, with a 2-h smoking time, had the highest antioxidant activity. Molecular docking between PrxV and the 33 compounds resulted in the ten most potential compounds based on the affinity energy. They were xanthone (-4.9 kcal/mol), uric acid (-4.8 kcal/mol), xanthosine (-4.8 kcal/mol), caffeine (-4.6 kcal/mol), 3-methylxanthine (-4.6 kcal/mol), 7-methylxanthosine (-4.6 kcal/mol), theobromine (-4.5 kcal/mol), theophylline (-4.5 kcal/mol), caffeic acid (-4.5 kcal/mol), and xanthine (-4.4 kcal/mol). These ten ligands had stronger interactions than the control ligand 1.2-dithiane-4.5-diol (-3.6 kcal/mol). This research showed the potential of Kawa Daun as a functional beverage with antioxidant activity. Further confirmation on the antioxidant potential of this beverage using an in vivo method is recommended.
Superparamagnetic Composite of Magnetite-CTAB as an Efficient Adsorbent for Methyl Orange Nor Harisah; Dwi Siswanta; Mudasir Mudasir; Suyanta Suyanta
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.69499

Abstract

In this study, a superparamagnetic composite of magnetite-cetyltrimethylammonium bromide (CTAB) has been prepared by the coprecipitation method and then applied as a charge-selective adsorbent of anionic methyl orange (MO). The VSM (Vibrating Sample Magnetometer) measurement suggests the superparamagnetic property of MNPs (Magnetite Nano Particles) with a magnetic saturation of 49.2 emu g–1. The SEM image exhibits the significant difference in particle size from nanometers in uncoated magnetite to micrometers in magnetite-CTAB. Calculations with ImageJ software indicate that the diameter of the composite is in the range of 2–13 µm, with an average diameter of 6.56 µm, possibly consisting of hundreds to thousands of magnetite-CTAB micelles. The adsorption kinetics of MO over magnetite-CTAB follows the pseudo-second-order adsorption model of Ho and McKay with a rate constant (k2) of 3.54 × 103 g mol–1 min. The adsorption isotherm is well described by the Langmuir model with a Langmuir constant (KL) of 7.46 × 104 L mol and a maximum capacity (qm) of 27.9 mg g–1. The developed material is intriguing because it can be easily and quickly recovered using an external magnet after adsorption and selectively adsorbs anionic dyes.
Copper Corrosion Protection by 4-Hydrocoumarin Derivatives: Insight from Density Functional Theory, Ab Initio, and Monte Carlo Simulation Studies Saprizal Hadisaputra; Agus Abhi Purwoko; Saprini Hamdiani
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.69530

Abstract

The corrosion inhibition performance of 4-hydrocoumarin derivatives has been studied using weight loss, electrochemical impedance spectroscopy, potentiodynamic polarization, and electrochemical frequency modulation techniques. However, experimental studies have not explained why the methoxy (OCH3) group contributes more to the increase in corrosion inhibition than the methyl (CH3) and chlorine (Cl) functional groups. In this theoretical study, the electronic aspect of the target corrosion inhibitors will be studied in detail to help strengthen the explanation in the experimental research. Density functional theory, ab initio, and Monte Carlo simulations have been used to analyze the corrosion inhibition performance of 4 curcumin derivatives against copper. The quantum chemistry approach is carried out under gas and aqueous conditions in neutral and protonated inhibitors. The Monte Carlo simulation was used to observe the dynamics and the mechanism of inhibition of the target molecule on the copper surface. The quantum chemistry approach can mimic the geometrical parameters of molecular inhibitors. It can also explain electronically why the OCH3 functional group is superior to other substituents. The adsorption energy of the 4-hydroquinone derivative is linearly correlated with the reported experimental study. The level of corrosion inhibition efficiency is OCH3 > CH3 > H > Cl.
Visible-Light-Driven Photocatalytic Degradation of Rhodamine B over Bimetallic Cu/Ti-MOFs Hong Tham Thi Nguyen; Kim Ngan Thi Tran; Thuy Bich Tran; Thanh Trung Nguyen; Sy Trung Do; Kim Oanh Thi Nguyen
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.69765

Abstract

The first copper-doped titanium-based amine-dicarboxylate metal-organic framework was synthesized by the solvothermal approach in this article, with a Cu2+/Ti4+ ratio of 0.15 (15% Cu/Ti-MOFs). X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Raman spectra, N2 adsorption-desorption studies, and UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS) were all used to identify the crystalline and properties of the semiconductors. The rate constants of 15% Cu/Ti-MOFs to degrade Rhodamine B (RhB) were roughly two times higher than NH2-Ti-MOFs. Furthermore, 15% Cu/Ti-MOFs photocatalysts remained stable after three cycles. The trapping test revealed that the principal active species in the degradation performance were hydroxyl radicals and holes.
Decolorization and Transformation of Synthetic Dye Methylene Blue by Brown-Rot Fungus Fomitopsis pinicola Adi Setyo Purnomo; Hamdan Dwi Rizqi; Aulia Ulfi; Refdinal Nawfa; Herdayanto Sulistyo Putro
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.69834

Abstract

Methylene blue (MB) is a synthetic dye widely used in industries that is difficult to degrade in the environment due to its stability. Brown-rot fungus Fomitopsis pinicola is an organism that is known to be able to degrade some organic pollutants such as DDT, aldrin, dieldrin, and methyl orange dye. This study aimed to explore the ability of F. pinicola on MB biodecolorization, to identify metabolites and propose a biodecolorization pathway. F. pinicola was evaluated for MB biodecolorization on PDA agar and PDB liquid media. The metabolites were determined by using LCTOF/MS. The PDA agar medium's largest index decolorization (ID) was 0.915%. The MB decolorization in liquid PDB medium showed the highest percentage of decolorization of 92.56% at MB concentration of 100 mg/L after 14-days incubation. The analysis using LC-TOF/MS showed metabolites from MB biodecolorization, namely 3-amino-7-(methylamino) phenothiazin-5-ium (Azure C), 3-(dimethylamino)-7-(methylamino) phenothiazin-5-ium (Azure B), and 3,7-bis(dimethylamino)-4aH-phenothiazin-5-one. The MB degradation pathway was proposed through demethylation and oxidation reactions based on the detected product metabolites. These results indicated that F. pinicola is a suitable agent for biodecolorization of MB, and can potentially be used for bioremediation of MB waste in the environment.

Page 144 of 196 | Total Record : 1956

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