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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 796 Documents
 68   69   70   71   72 
In Silico Antibacterial Activity of Polyacetilene Derivatives Against Mycobacterium tuberculosis and In-Vitro Antioxidant Properties from Ethanol Extraction of Blackjack (Bidens pilosa L.) Firman Wicaksana; Fadila Sofi; Mohammad Rafly
Jurnal Kimia Sains dan Aplikasi Vol 27, No 5 (2024): Volume 27 Issue 5 Year 2024
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.27.5.205-215

Abstract

Blackjack (Bidens pilosa L.) has a bioactive compound, one of which is polyacetylene, which can inhibit the growth of antimicrobials in general. This study aims to conduct an in silico study to determine the antibacterial activity against Mycobacterium Tuberculosis of 20 derivatives polyacetylene; TPC was determined by Folin–Ciocalteu colorimetric method using gallic acid as standard, and various concentrations of the extract solutions were measured at 741 nm. TFC was calculated using an aluminum chloride colorimetric assay. Quercetin was used as standard, and the absorbance was measured at 426 nm. Antioxidant activity was evaluated using DPPH scavenging 517 nm and Frap Assay 596 nm. The molecular docking results showed that the compounds (5-(2-Phenylethynyl)-2-b-glucosylmethyl-thiophene, Glucopyranosyloxy-3-hydroxy-6(E)-tetradecane-8,10,12-triyne and Phenylhexa-1,3,5-triyn-1-yl acetate were most potentially anti-tuberculosis on the target protein InhA with the binding energy produced <-6.55 Kcal/mol and the lowest inhibitory cost of 1.838×10-6. The compound has amino acids similar to natural ligands and standard compounds of isoniazid. The given ADME-T predictions showed good pharmacokinetic properties and safe levels of toxicity (5-(2-Phenylethynyl)-2-b-glucosylmethyl-thiophene, Glucopyranosyloxy-3-hydroxy-6(E)-tetradecane-8,10,12-triyne in hepatotoxic and LD50. The highest antioxidant properties in blackjack are produced by FRAP assay 722.905±7.985 mMTE/gr. This proves that blackjack has antioxidant activity and is required for bioassay-guided isolation testing against Mycobacterium tuberculosis.
Synthesis and Characterization Membrane Nanofibers Cellulose Acetate-Zeolite for Metal Pb (II) Adsorption Intan Dyah Fulanjari; Ervin Tri Suryandari; Hamdan Hadi Kusuma
Jurnal Kimia Sains dan Aplikasi Vol 27, No 7 (2024): Volume 27 Issue 7 Year 2024
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.27.7.344-353

Abstract

Heavy metal waste, such as lead (Pb), released into the environment negatively affects ecosystems and human health due to its toxic properties. Consequently, it is imperative to develop methods to remove Pb from the environment. One widely used method is adsorption. Synthesizing adsorbents via electrospinning offers several advantages: simplicity, the ability to produce nano-sized fibers, lightness, chemical stability, and reusability. This research aims to determine the optimum conditions for synthesizing cellulose acetate (CA) nanofibers modified with zeolite (CA-Zeolite) by electrospinning to characterize them and evaluate their adsorption capacity. The research results showed that the optimum conditions for the synthesis of cellulose acetate nanofibers were a solution concentration of 14% (w/v), a voltage of 10.5 kV, a flow rate of 0.02 mL/hour, and a tip-to-collector distance of 10 cm. The FTIR spectrum of CA-Zeolite revealed a new peak in the 400-610 cm-1 wavelength range, indicative of O-Si-O bonds, characteristic of zeolite functional groups, confirming the successful incorporation of zeolite into the CA nanofibers. From the SEM data, it can be seen that the addition of 6% (w/w) zeolite reduced the average membrane fiber diameter from 662.4 nm to 353.1 nm. EDX results show the presence of Si and Al elements in the CA-Zeolite nanofiber membrane. Incorporating zeolite into CA nanofibers decreased the contact angle from 125.49° to 111.66°, enhancing hydrophilicity. The modified CA nanofibers with 6% (w/v) zeolite demonstrated an adsorption capacity of 1.595 mg/g.
Study on the Upgrading Citronella (Cymbopogon nardus L.) Oil Isolation Using Microwave Assisted Hydro-distillation Method Diana Diana; Venitalitya Alethea Sari Augustia; Arif Hidayat; Kiki Adi Kurnia
Jurnal Kimia Sains dan Aplikasi Vol 27, No 6 (2024): Volume 27 Issue 6 Year 2024
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.27.6.293-299

Abstract

Isolation of essential oil using microwave-assisted hydro-distillation (MAHD) method could enhance the yield compared to steam-distillation or conventional hydro-distillation methods. This study explored the isolation of essential oil from Citronella (Cymbopogon nardus L.) using the MAHD method with several parameters, such as solid-to-liquid ratio, power of the microwave, and extraction time. The essential oils produced were evaluated based on yield, density, refractive index, and composition. The result showed that the density of the essential oil product was in the range of 0.866–0.902 g/mL, while the refractive index was in the range of 1.470–1.475, which met the ISO standard. Chemical compounds were identified using Gas Chromatography-Mass Spectrometry (GC-MS) analysis. It was found that the total amount of citronellal, citronellol, and geraniol in the product obtained by MAHD is higher than the one from conventional methods. This study aims to identify the most efficient operating conditions to maximize yield while analyzing energy consumption to determine the most cost-effective conditions.
Synthesis, Characterization and Molecular Docking of Bis-(1-(2,4-dichlorobenzoyl)-3-methylthiourea) Iron (III) Complex as Anticancer Candidate Ruswanto Ruswanto; Feri Sandria; Winda Trisna Wulandari; Richa Mardianingrum
Jurnal Kimia Sains dan Aplikasi Vol 27, No 6 (2024): Volume 27 Issue 6 Year 2024
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.27.6.258-264

Abstract

The Bis-(1-(2,4-dichlorobenzoyl)-3-methylthiourea) iron (III) complex has been synthesized from the reaction between 1-(2,4-dichlorobenzoyl)-3-methylthiourea and Fe (III) metal ion by reflux method with ethanol solvent at a temperature of 75°C for 7 hours. It was characterized by a hot stage microscope (HSM), UV-Vis, FT-IR, and mass spectroscopy. The % yield of the synthesis result was 97.58%. From the docking study on the ribonucleotide reductase enzyme, the binding affinity value was -7.76 kcal/mol, and the inhibition constant was 2.11 mM. The Bis-(1-(2,4-dichlorobenzoyl)-3 methylthiourea) iron (III) complex compounds can be synthesized and predicted as anticancer candidates.
Characterization of a Halostable Metalloprotease from the Halophilic Bacterium Bacillus clausii J1G-0%B Annisa Dila Febriyanti; Mukhammad Asy&#039;ari
Jurnal Kimia Sains dan Aplikasi Vol 27, No 8 (2024): Volume 27 Issue 8 Year 2024
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.27.8.395-402

Abstract

Protein plays a crucial role as a biocatalyst in various industries, particularly in breaking down proteins into amino acids. The demand for proteases capable of functioning under extreme conditions, such as high salinity, temperature, and pH, is increasing. To address this, the exploration of bacteria that produce stable proteases in such environments is essential. Bacillus clausii J1G-0%B, a halophilic bacterium isolated from Madura salt ponds, thrives in salinity levels of 0-20% NaCl. This study aims to obtain and characterize the protease produced by Bacillus clausii J1G-0%B, focusing on its activity and stability under extreme conditions. The research involved screening, production, and purification of the protease using ammonium sulfate fractionation and dialysis. Protease activity was measured using the Kunitz method, and protein content was determined using the Lowry method. Characterization included optimizing enzymatic conditions (pH, temperature, NaCl concentration), identifying metalloprotease types, and analyzing enzyme kinetics and thermodynamics. The study successfully produced protease using a halophilic medium with casein and 5% NaCl. After 96 hours of incubation, the protease exhibited a specific activity of 654.737 U/mg. Optimal activity was observed at pH 7, 50°C, and 10% NaCl, with stability between 2.5% and 15% NaCl concentration. Enzyme kinetics revealed a high affinity for casein, with a KM value of 0.164 mg/mL and Vmax of 13.182 µmol/mL·min. Thermodynamic analysis indicated high stability, as shown by a positive ΔGi value (+105.84 kJ/mol), a low inactivation constant (ki = 0.0031 min-1), and a long half-life (t½ = 223.548 minutes). EDTA chelation tests confirmed that the protease is a metalloprotease. The halostable protease from Bacillus clausii J1G-0%B shows significant potential for industrial applications and bioremediation in high-salinity environments.
Pyrazine and Furan Derivative Activity Prediction on Type 2 Diabetic Mellitus: In silico Study Richa Mardianingrum; Ai Teni Siti Robi`ah; Susanti Susanti; Ruswanto Ruswanto
Jurnal Kimia Sains dan Aplikasi Vol 27, No 5 (2024): Volume 27 Issue 5 Year 2024
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.27.5.216-225

Abstract

Diabetes Mellitus (DM) is a chronic disease that occurs when the pancreas does not produce enough insulin, or the body cannot use insulin effectively. Type 2 DM treatment can be done using antidiabetic drugs, but the continuous use of synthetic drugs will cause side effects. Empirically, the people of Nias Indonesia use palm juice (Arenga pinnata Merr.) as an antidiabetic, which can reduce blood glucose levels. This study aimed to find the active compounds in palm juice that can potentially be an antidiabetic type 2 using an in silico approach. The methods used were toxicity screening, profile pharmacokinetics, drug scanning, docking, and molecular dynamics simulation. Screening, molecular docking, and molecular dynamics of 30 compounds generated from pyrazine and furan revealed that two compounds, PF 16 and PF 30, can bind to receptors and produce lower ∆G values than metformin HCl. Molecular dynamics simulation results using the MM-GBSA calculation method showed that the PF 16 compound was more selective than the 2PDY (aldose reductase) with a value of -39.23 kcal/mol, while compound PF 30 was more selective to 1Z89 (aldose reductase) with a value of -7.36 kcal/mol. It can be concluded that the level of affinity of the PF 30 compound to the 1Z89 receptor and the PF 16 compound to the 2PDY were predicted to have the potential as antidiabetic (DM type 2).
Virtual Screening of Syzygium cumini (L.) Skeels Flavonoid Compounds as SARS-CoV-2 Main Protease Therapy Candidates Himyatul Hidayah; Ruswanto Ruswanto; Desri Lestari; Surya Amal; Neni Sri Gunarti
Jurnal Kimia Sains dan Aplikasi Vol 27, No 7 (2024): Volume 27 Issue 7 Year 2024
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.27.7.336-343

Abstract

In December 2019, the first COVID-19 cases were in Wuhan, China. This case is a global concern and a threat to public health. Based on previous research using molecular docking methods, it was found that flavonoids exhibit strong inhibitory activity in SARS-CoV-2 main proteases. The study aims to determine the flavonoid compound Syzygium cumini (L.) Skeels can interact with the SARS-CoV-2 main protease receptor and can be used as a candidate for COVID-19 therapy with virtual screening. Myricetin 4”-O-acetyl-2-O-gallate has the lowest Gibbs free energy (ΔG) of -9.82 kcal/mol. The molecular dynamics of the best compound, Myrcetin 4-O-acetyl-2-O-gallate, RMSD, and RSMF values are quite stable. As a result of pharmacokinetic prediction and toxicity, the best compounds have a relatively good pharmacokinetic profile and are non-toxic. Thus, it can be concluded that the compound Myricetin 4”-O-acetyl-2-o-gallate in the Syzygium cumini (L.) Skeels is predicted to interact with the SARS-CoV-2 main protease receptor (7C6S) as a potential drug candidate for COVID-19 therapy.
Synthesis and Antibacterial Activity Test of Dibutyl Tin (IV) N-Ethylbenzyl Dithiocarbamate Compound Against Salmonella Thy.Atcc.14028 and Propionibacterium acnes Bacteria Mukhlis Sanuddin; Medi Andriani; Tiara Angraini
Jurnal Kimia Sains dan Aplikasi Vol 27, No 7 (2024): Volume 27 Issue 7 Year 2024
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.27.7.300-306

Abstract

The complex compound dithiocarbamate exhibits various biological activities, including anticancer, antibacterial, antifungal, and antioxidant properties. Dibutyl tin (IV) N-ethyl benzyl dithiocarbamate was synthesized to overview its structure and evaluate its antibacterial activity against Salmonella typhimurium ATCC 14028 and Propionibacterium acnes. This compound was synthesized via an in situ method by adding dibutyl tin (IV) dichloride, N-ethylbenzylamine, and carbon disulfide, forming a precipitate, which was then dried to yield a white powder. This powder can also be crystallized. The compound was characterized using FTIR, 1H NMR, and 13C NMR spectroscopy, along with antibacterial activity testing using the disc diffusion method. The FTIR analysis revealed characteristic absorption bands at 1111.00 cm-1 (C-N), 731.02 cm-1 (C-S), 2954.95 cm-1 (C-H), 1602.85 cm-1 (C=C), 360.69 cm-1 (Sn-S), and 567.07 cm-1 (Sn-C). The 1H NMR spectrum showed chemical shifts at 0-3.8570 ppm (δ CH3), 5.0032-5.1472 ppm (δ N-CH2), and 7.2780-7.3607 ppm (δ C6H5). The 13C NMR spectrum displayed signals at 0-34.5610 ppm (δ CH3), 48.6398-56.9247 ppm (δ N-CH2), 127.6651-135.7665 ppm (δ C6H5), and 201.7568 ppm (δ CS2). The antibacterial activity of dibutyl tin (IV) N-ethyl benzyl dithiocarbamate was assessed, revealing inhibition zones against Salmonella typhi of 6.78 mm (100 ppm), 7.36 mm (120 ppm), and 7.76 mm (140 ppm), categorizing the activity as moderate. Against Propionibacterium acnes, inhibition zones were 1.8 mm (100 ppm), 1.88 mm (120 ppm), and 2.13 mm (140 ppm), categorizing the activity as weak. Based on these findings, it can be concluded that dibutyl tin (IV) N-ethyl benzyl dithiocarbamate can be synthesized to form an octahedral structure and exhibits antibacterial activity. However, it is not yet suitable for use as a new antibiotic.
Effect of Precursors Concentration on The Optical and Photoelectrochemical Properties of Bi₂S₃/TiO₂ Nanotubes Arrays Photoanode Synthesized by the SILAR Technique Eko Martin Sinaga; Muhammad Iqbal Syauqi; Jarnuzi Gunlazuardi
Jurnal Kimia Sains dan Aplikasi Vol 27, No 6 (2024): Volume 27 Issue 6 Year 2024
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.27.6.265-270

Abstract

The use of robust solar energy-driven photocatalysis materials to address the global energy and environmental crisis has gained significant attention in recent years. However, the wide band gaps in many robust semiconductor photocatalysts hinder their absorption of visible light from the solar spectrum. To address this issue, the modification of the large band gap semiconductor with the lower band gap material using the Successive Ionic Layers Adsorption and Reaction (SILAR) technique has emerged as an economical, accessible, and reproducible method for depositing nanoscale materials onto semiconductor substrates. This research aims to know how the concentration variation of cation and anion precursors in the SILAR technique affects the optical and photoelectrochemical properties of the resulting composite materials. Bi₂S₃ serves as a modifier for TiO₂ nanotube arrays (NTAs). The result shows that the cation-anion concentration ratio of 1:1.5 mM with five SILAR cycles gives the best photoelectrochemical performance, with a stable current density of 0.12 mA/cm², compared to pristine TiO₂ NTAs the current density of Bi₂S₃/TiO₂ NTAs is 15-fold. In addition, at each variation, the concentration ratio of cation and anion precursors decreases bandgap energy with each increase in the SILAR cycle.
Recent Advances in Magnetic Feˣ⁺/TiO₂ Microfibers for Wastewater Treatment as Climate Change Mitigation Misriyani Misriyani; Yang Tian; Z. Ryan Tian
Jurnal Kimia Sains dan Aplikasi Vol 27, No 8 (2024): Volume 27 Issue 8 Year 2024
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.27.8.403-408

Abstract

Chemical dyeing and finishing processes used in the clothing and textile industries are among the main contributors that can increase the impact of climate change. Photocatalysis using nanosized titanium dioxide (TiO2) has been continuously developed as a promising technology for purifying dye wastewater into simpler and environmentally friendly components. In addition, the decoration of iron cations (Fe2+) and (Fe3+) increases the reusability of the photocatalyst due to their magnetic properties, which are easy to collect for the recycling process. Magnetic Fex+/TiO2 microfibers have been successfully prepared using a hydrothermal method using titanium dioxide in an alkaline solution. Cations were added into the solution with the different molar ratios of Ti/Fex+ to produce Fe2+/TNW and Fe3+/TNW, respectively. Photocatalysis activity test using magnetic Fex+/TNW was carried out using methylene blue in a reactor equipped with an incandescent bulb lamp representing solar light. The results showed that adding the cations resulted in a new shape of palm tree leaves, like titanate microfibers. Controlling the cation’s molar ratio produces the magnetic Fex+/TNW with a 50-150 µm length. SEM images of each material presented the uniformly elongated shape and aggregated on one side morphology. In addition, paramagnetic properties indicate that magnetic Fex+/TNW can be easily separated from the dispersion in less than 1 minute using an external magnet. A photocatalysis activity test of magnetic Fex+/TNW was performed by calculating the percent degradation of methylene blue with variations in irradiation time in visible light conditions. The result showed the effectiveness of photodegradation of methylene blue was significantly increased in materials with 3.3 molar ratios of both Ti/Fe2+ and Ti/Fe3+ with a percent degradation reaching 79% and 70%, respectively, in 5 hours. In conclusion, magnetic Fex+/TNW is introduced as an alternative dye wastewater treatment technology that has reusable properties and works well on sustainable energy sources of solar light.

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