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Adi Darmawan
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INDONESIA
JURNAL KIMIA SAINS DAN APLIKASI
Published by Universitas Diponegoro
ISSN : 14108917     EISSN : 25979914     DOI : -
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 5 Documents
Search results for , issue "Vol 24, No 3 (2021): Volume 24 Issue 3 Year 2021" : 5 Documents clear
Performance of HDTMA-Br-Modified Indonesian Zeolite as a Drug Carrier Candidate for Diclofenac Sodium Khafidhotun Naimah; Harjono Harjono; Jumaeri Jumaeri; Sri Kadarwati
Jurnal Kimia Sains dan Aplikasi Vol 24, No 3 (2021): Volume 24 Issue 3 Year 2021
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (4104.288 KB) | DOI: 10.14710/jksa.24.3.91-100

Abstract

Diclofenac sodium is a non-steroidal anti-inflammatory drug with a relatively short release time. This short release time promotes a more frequent drug consumption and could lead to side effects in the stomach, e.g., gastrointestinal disorders, gastrointestinal bleeding, and gastric ulcers. A drug delivery system with a slow-release activity is one of the promising technologies to control the drug amount released to the stomach. A surfactant-modified natural zeolite as a carrier for diclofenac sodium has been used in this study. This study focused on the preparation, characterization, and slow-release performance of HDTMA-modified natural zeolite as a carrier for diclofenac sodium. The zeolite underwent chemical and physical activation, as well as milling prior to use. It was proven that the zeolite used was dominated by mordenite and clinoptilolite with high stability properties towards acid treatments, as indicated by the XRD patterns. A modification of the zeolite surface using HDTMABr was also successfully performed, indicated by the appearance of peaks at wavenumbers of 2923.05 cm-1 and 2853.39 cm-1 (symmetrical and asymmetrical CH2 strains of HDTMA molecules, respectively) in the FTIR spectra. The synthesized HDTMA-modified natural zeolite also showed an excellent surface property such as surface area, pore-volume, and size, as indicated by the BET-BJH isotherms on the nitrogen adsorption. The slow-release performance of the zeolite-based drug delivery system was studied by investigating the adsorption-desorption behavior of HDTMA-modified zeolite towards diclofenac sodium. The HDTMA-modified zeolite adsorbed the diclofenac sodium of 54.01% at a pH of 7.5, the contact time of 60 min, and the initial concentration of 100 ppm. The adsorbed diclofenac sodium of 73.95% could be released from the HDTMA-modified adsorbent for 8 h, mimicking the time length of drug metabolism in the human body.
Molecular Docking of Red Betel (Piper crocatum Ruiz & Pav) Bioactive Compounds as HMG-CoA Reductase Inhibitor Bella Fatima Dora Zaelani; Mega Safithri; Dimas Andrianto
Jurnal Kimia Sains dan Aplikasi Vol 24, No 3 (2021): Volume 24 Issue 3 Year 2021
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (3142.999 KB) | DOI: 10.14710/jksa.24.3.101-107

Abstract

Cholesterol plaque buildup in artery walls occurs due to oxidation of Low-Density Lipoprotein (LDL) molecules by free radicals, which are a risk factor for coronary heart disease. Piper crocatum contains active compounds that can act as HMG-CoA reductase inhibitors, such as flavonoids, alkaloids, polyphenols, tannins, and essential oils. This study aimed to predict the potential of Piper crocatum extract and fraction compounds as HMG-CoA reductase inhibitors by investigating the ligand affinity to the HMG-CoA reductase enzyme. Ligand and receptor preparation was conducted using BIOVIA Discovery Studio Visualizer v16.1.0.15350 and AutoDock Tools v.1.5.6. Molecular docking used AutoDock Vina, while ligand visualization and receptor binding used PyMOL(TM) 1.7.4.5.Edu. The receptor used was HMG-CoA reductase (PDB code: 1HWK) with atorvastatin as a control ligand. Catechin, schisandrin B, and CHEMBL216163 had the highest inhibition with affinity energies of -7.9 kcal/mol, -8.2 kcal/mol, -8.3 kcal/mol, respectively. Amino acid residues that played a role in ligand and receptor interactions were Ser684, Asp690, Lys691, Lys692.
Antimicrobial Activities of Synthesized Silver Nanoparticles using Ethanol and Water Extract of Mirabilis Jalapa Tunas Alam; Frida Octavia Purnomo; Asbar Tanjung
Jurnal Kimia Sains dan Aplikasi Vol 24, No 3 (2021): Volume 24 Issue 3 Year 2021
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (3116.302 KB) | DOI: 10.14710/jksa.24.3.70-76

Abstract

The focus of this study was to compare the antimicrobial activity of silver nanoparticles (AgNPs) synthesized using ethanol extracts (AgNPE) and water extracts (AgNPA) from four o’clock flowers (Mirabilis jalapa) against Staphylococcus aureus. AgNPs were characterized by UV-Vis diffraction, FTIR, SEM, and X-rays. UV-Vis analysis showed that AgNPA has an SPR band of about 460 nm and 530 nm for AgNPE, which proves the characteristics of the absorbance area of AgNPs. SEM images of AgNPE and AgNPA show a cuboid shape with a mean diameter of 80 and 30 nm, respectively and well dispersed. The response to the presence of polysaccharide biomolecules involved in forming AgNPs was analyzed using a Fourier transform infrared spectrometer. The result was that AgNPA and AgNPE have different reducing agents. The plant extracts, AgNPE and AgNPA, were studied for their antimicrobial activity against Staphylococcus aureus. The result was that both AgNPA and AgNPE showed good activity and showed that AgNPA with less inhibition was more effective than AgNPE.
Addition of Calcined Na2B4O7 on the Synthesis of Li7La3Zr2O12 Imam Shofid Alaih; Sidiq Fathonah; Khoirina Dwi Nugrahaningtyas; Fitria Rahmawati
Jurnal Kimia Sains dan Aplikasi Vol 24, No 3 (2021): Volume 24 Issue 3 Year 2021
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (3899.233 KB) | DOI: 10.14710/jksa.24.3.77-84

Abstract

Li7La3Zr2O12 (LLZO) is a garnet-type electrolyte for all-solid-state lithium-ion batteries (ASSB). It has good chemical and electrochemical stability against lithium and a relatively high ionic conductivity. However, the ionic conductivity needs to be further increased to provide a high specific capacity of the ASSB. Element doping into LLZO is an effort to increase molecular defect, known to enhance the conductivity. This research studied the effect of the Na2B4O7 addition on the LLZO synthesis, producing LLZBO(A). The investigation aims to understand whether the sodium ions dope into the LLZO structure during synthesis, or it is only B ions to enter into the structure. Therefore, another synthesis with B2O3 of B precursor was conducted for comparison (LLZBO(B)). The precursors were mixed stoichiometrically by following the formula of Li7-xLa3-xZr2-xBxNaxO12 (LLZBO, x= 0.15; 0.20; 0.30). XRD analysis equipped with Le Bail refinement found that LLZBO(A) and LLZBO(B) mainly consist of cubic and tetragonal LLZO with a %mol of 69.06 – 69.84 %, and the main secondary phase is La2Zr2O7. The surface morphology of LLZBO(A) and LLZBO(B) is almost similar to the irregular form of large aggregates. The particles become more dispersed when 0.3 %mol dopant was submitted. Impedance analysis found a high ionic conductivity of LLZBAO(A)0.3 1.042x10-3 Scm-1.
Docking and Molecular Dynamic Simulations Study to Search Curcumin Analogue Compounds as Potential Inhibitor Against SARS-CoV-2: A Computational Approach Neni Frimayanti; Adel Zamri; Yum Eryanti; Noval Herfindo; Veza Azteria
Jurnal Kimia Sains dan Aplikasi Vol 24, No 3 (2021): Volume 24 Issue 3 Year 2021
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (2297.983 KB) | DOI: 10.14710/jksa.24.3.85-90

Abstract

Coronavirus is a pandemic in the world. It requires researchers and scientists to work hard to find a vaccine or drug to inhibit the development of the coronavirus. Many drugs have been used, such as remdesivir, lopinavir, and chloroquine. However, how effective is the use of these drugs for inhibiting the coronavirus’s growth? There is no research has been done. Curcumin is now known as one of the compounds that have some biological activities, and it is also can potentially be used as a CoV-2 inhibitor. The computational study, i.e., molecular docking and molecular dynamic, can help researchers to predict which compounds have the potential as an inhibitor against the CoV-2 coronavirus. In this study, lopinavir was used as a positive control. Lopinavir and 45 curcumin analog compounds were docked against the main protease protein with 6LU7 PDB ID. Based on the docking results, it was discovered that compound 1, compound 2, and compound 4 have the same binding orientation as lopinavir. Molecular dynamic simulation with the lowest binding free energy conformation was used to check these compounds’ stability. Only compound 4 was maintained to observe hydrogen bonding with Lys5 and Lys137 with a distance of 2.9 Å. The distance of hydrogen bonds and binding free energy over simulation time is essential to elucidate the potential compound’s affinity. For then, compound 4 can be used as a potential inhibitor against the CoV-2 coronavirus.

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