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JURNAL KIMIA SAINS DAN APLIKASI

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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

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Potential of C-Phenylcalix[4]Resorcinarene Epoxide Compound as Drug Delivery Agent in Breast Cancer Cells MCF-7 Dwi Rahmasari Fatmawati; Danny Nur Wahyu Hidayat; Diah Kartika Sari; Rizky Riyami Putri; Jumina Jumina; Yehezkiel Steven Kurniawan
Jurnal Kimia Sains dan Aplikasi Vol 25, No 3 (2022): Volume 25 Issue 3 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Cancer therapy through conventional chemotherapy has been widely applied; however, one of the main disadvantages of chemotherapy is the non-selective targeting of cancer cells which causes various adverse side effects. The development of drug delivery agents that are more selective and effective in cancer therapy needs to be performed so that the drugs have a therapeutic effect and minimize side effects. In this study, the compound C-phenylcalyx[4]resorcinarene epoxide (CFKRE) has acted as a drug delivery agent because it can form host complex interactions with ligands. The CFKRE compound was synthesized through two reaction steps: the condensation and alkylation reactions of the epoxide. The structure was analyzed using FTIR, 1H-, and 13C-NMR spectrophotometers and then tested for in vitro cytotoxicity using the MTT assay. The results showed that 70% yield of CFKRE was obtained. Molecular docking analysis of CFKRE compounds against PDGFR and EGFR proteins showed high binding energy compared to conventional chemotherapeutic agents. Molecular dynamic studies showed that CFKRE compounds could form a host-ligand complex with a −350.4 kcal/mol binding energy. Cytotoxic assay of CFKRE compound against MCF-7 breast cancer cells and Vero cells gave IC50 values of 4.04 and 29.59 μg/mL, respectively. These results indicated that CFKRE compounds are not toxic and have the potential to be utilized as new candidates for drug delivery agents.

Eco-friendly Edible Film from Chicken Bone Waste and Tapioca Starch Sri Hilma Siregar; P. Prasetya; Aulia Rizki Ramadhanti; Rian Putra; Siti Zahidah
Jurnal Kimia Sains dan Aplikasi Vol 25, No 2 (2022): Volume 25 Issue 2 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

The manufacture of edible film from chicken bone gelatin incorporated with starch is essential for Indonesia, where most Muslims are. This is related to Shari’a law which requires Muslims to consume only halal food. Gelatin made from chicken bones is guaranteed to be halal. This study aimed to determine the process of extracting chicken bone waste with acid solvents, making the edible film, and the characterization of chicken bone edible film. This research started with extracting gelatin from chicken bone waste. The 5 g of extracted chicken bones were mixed with 40% w/v glycerol, starch (0, 5, 10, 15% w/v), and distilled water, then heated at 50°C. The mixture was printed in a petri dish (15 cm in diameter) and dried for 24 hours. The edible films were evaluated for physicochemical and mechanical properties, such as tensile strength, elongation, thickness, water resistance, WVTR, and degradation test. Edible film characterization used FTIR, SEM, XRD, and TGA. The optimum condition of the extraction procedure was obtained by using 5% HCl, which produces 8.22172% yield of gelatin with pH of 6.0, water content of 8%, and ash content of 0.945%. In the thickness test, the more significant the starch concentration added, the greater the thickness of the edible film produced. The edible film exhibited a decrease in tensile strength and an increase in elongation along with increasing starch concentration. The results of the WVTR test were only starch concentrations of 0 and 15% that meet the standards, while all concentrations in the water resistance did. The results of FTIR chicken bones with variations in starch and the addition of glycerol as a plasticizer have functional groups N-H, O-H, C-O, C=O, C-H, C-N. Edible films without the addition of starch were utterly degraded within 30 days.

Effects of Additional Polyvinyl Alcohol (PVA) on the Physiochemical Properties of Chitosan-Glutaraldehyde-Gelatine Bioplastic Muh Jufri; Retno Ariadi Lusiana; Nor Basid Adiwibawa Prasetya
Jurnal Kimia Sains dan Aplikasi Vol 25, No 3 (2022): Volume 25 Issue 3 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

This study investigated the effects of additional PVA on the physicochemical properties of the chitosan-glutaraldehyde/gelatin bioplastic composite. The best results of the bioplastic film were obtained at a concentration of 3% PVA, with a tensile strength value of 3.3 MPa, flexibility reached 54%, a thickness value of 0.24 mm, percentage of inhibition against E. coli and S. aureus was 21.8% and 8.8% respectively. The FTIR spectrum results showed no change in the wavenumber of the chitosan and gelatin chitosan spectrum with OH, CO, and NH functional groups. The spectrum indicates that only physical interactions occurred. The bioplastics are similar in thermal stability and have slight differences in bioplastic morphological contours. The average thickness of the bioplastics is between 0.20–0.26 mm. Based on the Japanese Industrial Standard (JIS), all bioplastics meet the standard thickness, which is < 0.25 mm, excluding chitosan, which has a thickness of 0.26 mm. The addition of PVA into the bioplastics structure increased the hydrophobicity, pH resistance, and flexibility of bioplastics. Meanwhile, additional PVA decreased biodegradability, only degraded by 60% at eight weeks. Based on these data, not all bioplastics can meet the degradation time criteria set by the international bioplastic standard ASTM D-6002, that bioplastics must be 100% degraded within eight weeks. Bioplastics made from chitosan and chitosan-gelatin have been degraded by 90% for 48 weeks. Based on the antibacterial properties, the inclusion of PVA into the bioplastic structure enhances the antibacterial properties.

Computational Studies of Thiourea Derivatives as Anticancer Candidates through Inhibition of Sirtuin-1 (SIRT1) Ruswanto Ruswanto; Richa Mardianingrum; Arry Yanuar
Jurnal Kimia Sains dan Aplikasi Vol 25, No 3 (2022): Volume 25 Issue 3 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Cancer is a disease that starts from the uncontrolled growth of abnormal cells in the organs or tissues of the body, which is the second leading cause of death in the world. One of the targets in discovering and developing anticancer drugs is Sirtuin-1. SIRT1 can act as a tumor suppressor or tumor promoter depending on its target in a particular signalling pathway or on particular cancer. This study aimed to study the interaction of a thiourea derivative with SIRT1 (PDB ID:4I5I) through its inhibition of histone deacetylase. Research has been carried out in silico with molecular docking (MGLTools.1.5.6) and molecular dynamics (Desmond 2019) of three thiourea derivatives to the receptor. In addition, pharmacokinetic parameters, toxicity, and selection of Lipinski's Rule of Five were also tested. Molecular docking results showed that compound b ([2-(methylcarbamothioylcarbamoyl)phenyl]benzoate) had the lowest ∆G value of −9.29 kcal/mol with a KI value of 0.156 µM compared to other thiourea derivatives and was proven by molecular dynamics tests for 30 ns and amino acids that play an active role in the interaction include the residue PheA:297. In terms of pharmacokinetics and toxicity, compound b is better than natural ligands. Compound b is predicted to be used as an anticancer candidate through further research.

Synthesis of Silver Nanoparticles in an Eco-friendly Way using Lannea coromandelica Aqueous Bark Extract Nuritasari Azis; Abdul Wahid Wahab; Abdul Karim; Nursiah La Nafie; Triana Febrianti
Jurnal Kimia Sains dan Aplikasi Vol 25, No 6 (2022): Volume 25 Issue 6 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

In this present study, silver nanoparticles (AgNPs) were synthesized through an easy, rapid, and eco-friendly pathway using Lannea coromandelica aqueous bark extract. The obtained AgNPs were characterized using Ultraviolet-Visible (UV-Vis) spectrophotometer, Fourier Transform Infrared (FTIR), X-ray Diffraction (XRD), and Scanning Electron Microscope (SEM). The results indicated that the pH of colloidal AgNPs played a vital role in forming AgNPs. The pH ranges used in this study were 6, 8, 10, and 12. The formation of AgNPs was confirmed by observing the surface plasmon resonance (SPR) band at each pH and obtaining a wavelength of 430.50, 419.50, 418.50, and 410.00 nm. A comparison of the FTIR spectra of Lannea coromandelica aqueous bark extract and AgNPs showed the contribution of the O-H group in reducing silver ions. XRD diffractogram showed that AgNPs formed at 2θ = 37.8056o (1 1 1), 44.0345o (2 0 0), 64.3942o (2 2 0), dan 77.5003o (3 1 1) with face-centered cubic (FCC) crystal structure, and the average particle size was 22.5047 nm. SEM results showed that the nanoparticles have a non-uniform and irregular shape.

Functionalized Alkaline Lignin for Removal of Lead in Aqueous Solution Deliana Dahnum; Egi Agustian; Eka Triwahyuni; Anis Kristiani; Roni Maryana; Yanni Sudiyani
Jurnal Kimia Sains dan Aplikasi Vol 25, No 5 (2022): Volume 25 Issue 5 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Lignin, the second most abundant natural polymeric globally, is considered the source of the renewable aromatic compound. It serves as an alternative feedstock for the elaboration of chemicals and polymers. However, even until now, it is still primarily used as a low-value fuel for boilers. In the current research, alkaline lignin was modified and used as an adsorbent for removing lead (Pb) in an aqueous solution. The functionalized alkaline lignin (FAL) was prepared by a Mannich reaction with formaldehyde and dimethylamine, followed by esterification of carbon disulfide. The FAL was characterized using CHN elemental analysis, X-Ray Fluorescence (XRF), Scanning Electron Microscopy (SEM), and Fourier Transform Infrared (FT-IR) to observe the changes in composition, morphology, and chemical structure. The analysis revealed that alkaline lignin was successfully modified using amine and carbon disulfide. The adsorption study shows that the lead concentration reduced to 93.7% after 2 hours in contact with FAL. The FAL adsorption capacity could obtain 0.44 mmol/g of lead.

Molecular Docking of Gallic Acid and Its Derivatives as the Potential nNOS Inhibitors Sulistyaning Budi; Annisa Fitri Nurlaila; Icaq Dwi Prasetyo; Indah Nur Rahmadhani; Javier Sebastian; Iqmal Tahir
Jurnal Kimia Sains dan Aplikasi Vol 25, No 6 (2022): Volume 25 Issue 6 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

The global prevalence of anxiety and depression rates have increased by 25% due to the impact of the COVID-19 pandemic. Depression can occur due to an increase in NO produced by the nNOS enzyme. Gallic acid and its derivatives can be obtained from nature and have various biological activities. This study aimed to determine the potential of gallic acid and its derivatives as nNOS inhibitors using the molecular docking method with parameters of binding energy values, RMSD values, and specific binding to amino acid residues. The results showed that gallic acid, 4-O-methyl gallic acid, and epigallocatechin gallate had bond energies of −1.87; −2.36; and −0.12 kcal/mol, respectively. Compared to the standard ligand, which had binding energy of −2.84 kcal/mol, gallic acid 4-O-(6-galloyl glucoside) had binding energy of −4.12 kcal/mol. Based on these results, gallic acid 4-O-(6-galloyl glucoside) can potentially inhibit nNOS.

Congo Red Dye Adsorption using Magnesium Hydroxide from Seawater Bittern Jumaeri Jumaeri; Akhsanun Nadiyya; Agung Tri Prasetya; Woro Sumarni
Jurnal Kimia Sains dan Aplikasi Vol 25, No 6 (2022): Volume 25 Issue 6 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

The study of Mg(OH)2 from seawater bittern as an adsorbent for Congo red (CR) from an aqueous solution has been performed. This study aimed to determine the effect of pH, contact time, and initial CR concentration on CR adsorption by Mg(OH)2. The adsorption kinetics and isotherms of CR on Mg(OH)2 in an aqueous solution were also studied. The optimum adsorption was obtained at pH 8 within 90 minutes of contact time with an adsorption capacity of 46.3 mg/g for an initial CR concentration of 29 mg/L. The adsorption process followed the Freundlich isotherm model with an n value of 2.579 and the pseudo-second-order kinetic model with a k2 value of 0.0021 g mg−1min−1.

Molecular Docking Study of IPBCC.08.610 Glucose Oxidase Mutant for Increasing Gluconic Acid Production Shobiroh Nuur' Alimah; Tony Ibnu Sumaryada; Waras Nurcholis; Laksmi Ambarsari
Jurnal Kimia Sains dan Aplikasi Vol 25, No 5 (2022): Volume 25 Issue 5 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Glucose oxidase (GOD) is an oxidoreductase enzyme that catalyzes the oxidation of glucose to gluconolactone and hydrogen peroxide. Then, gluconolactone will be hydrolyzed to gluconic acid. The wide application of gluconic acid in various industries has increased production demand. However, glucose concentrations higher than 40% (w/w) inhibited the conversion of glucose to gluconic acid due to a decrease in the oxygen solubility concentration at pH 6, 30℃, and 1 bar pressure. Therefore, decreasing the value of Km is predicted to reduce saturation and enhance gluconic acid production. This study aimed to analyze the interaction between the IPBCC.08.610 GOD mutant with β-D-Glucose in improving gluconic acid production by decreasing the Km value. Mutations were performed in silico using Chimera and then docked using AutoDock Vina. The mutations resulted in distinct ligand poses in the binding pocket, different -OH conformations of the ligands, and changes in the T554M/D578P mutant’s hydrophobicity index (554 mutated from threonine to methionine, and 578 mutated from aspartate to proline), and decreased ΔG and Km values in the H559D mutant (559 mutated from histidine to aspartate), D578P and T554M/D578P. This decrease might strengthen the ligand-receptor interaction, increasing gluconic acid production. The H559D was the best mutant to increase production based on the ΔG, Km value, and stability due to the addition of hydrogen bonds.

Green Synthesis of Silver Nanoparticles using Kayu tulak Leaf (Schefflera Elliptica Harms) Infusion as a Bio-reductant and Its Antibacterial Activity I Wayan Tanjung Aryasa; Ni Putu Rahayu Artini
Jurnal Kimia Sains dan Aplikasi Vol 25, No 6 (2022): Volume 25 Issue 6 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.25.6.212-217

Metal nanoparticles and exploration of green synthesis can be applied to lung tissue therapy, cancer, and even vaccines. Additionally, due to the rise in microbial resistance or the demand for novel antibiotics, the use of NPs as an antibacterial agent has expanded. Meanwhile, using methods to produce metal nanoparticles based on the abundance of biodiversity as a green-reducing agent will be safer. In the present study, Kayu tulak leaves extract served as the green-reducing agent. The synthesized silver nanoparticles were characterized using a UV-Vis spectrophotometer, PSA (Particle Size Analyzer), and TEM (Transmission Electron Microscope). The results showed that the silver nanoparticles synthesized using Kayu tulak leaf extract at concentrations of AgNO3 1 and 2 mM had absorbance peaks at 436.5 nm and 467 nm, respectively. The average particle size distributions of the two silver nanoparticles were 88.2 and 16.9 nm, respectively. The characterization of silver nanoparticles using TEM obtained a mixture of spherical, hexagonal, and triangular shapes. The silver nanoparticles synthesized using Kayu tulak as a bio-reductant exhibited antibacterial activity. At AgNO3 solutions of 1 and 2 mM, silver nanoparticles showed antibacterial activity against Escherichia coli with inhibition zone diameters of 6.39 ± 0.30 mm and 8.28 ± 0.19 mm (moderate inhibition), while against Staphylococcus aureus were 4.30 ± 0.24 mm (weak inhibition) and 6.39 ± 0.27 mm (moderate inhibition).

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