Molekul: Jurnal Ilmiah Kimia
The MOLEKUL is dedicated to fostering advancements in all branches of chemistry and its diverse sub-disciplines. It aims to publish high-quality research encompassing a wide range of topics, including but not limited to Pharmaceutical Chemistry, Biological Activities of Synthetic Drugs, Environmental Chemistry, Biochemistry, Polymer Chemistry, Petroleum Chemistry, and Agricultural Chemistry. By providing a platform for rigorous scientific inquiry and dissemination of knowledge, the journal strives to contribute to the understanding, innovation, and practical applications of chemistry in various fields. We encourage submissions that explore new methodologies, elucidate fundamental principles, address pressing challenges, and demonstrate the potential for real-world impact. Our journal welcomes original research articles, reviews, and perspectives from researchers, scholars, and professionals across the global scientific community, promoting interdisciplinary collaboration and the advancement of chemical sciences. The scope of this journal encompasses a wide range of topics within the field of chemistry, with a particular focus on advancing knowledge and innovation in the following areas: 1. Theoretical Chemistry and Environmental Chemistry: This includes theoretical studies, computational modeling, and experimental investigations related to chemical reactivity, molecular structures, spectroscopy, and the environmental fate and impact of chemicals. 2. Materials Synthesis for Energy and Environmental Applications: The journal welcomes research on the synthesis, characterization, and application of materials for energy storage, catalysis, solar energy conversion, pollution mitigation, and sustainable environmental technologies. 3. Isolation, Purification, and Modification of Biomolecules: Manuscripts addressing the isolation, purification, and modification of biomolecules, such as proteins, nucleic acids, carbohydrates, and lipids, along with their applications in areas such as biotechnology, drug discovery, and diagnostics, are of particular interest. 4. Fabrication, Development, and Validation of Analytical Methods: The journal encourages submissions focusing on the development and optimization of analytical techniques, including chromatography, spectroscopy, electrochemistry, and mass spectrometry. Topics may include method validation, sample preparation, quality control, and applications in diverse fields.
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<![CDATA[Tannic acid modified iron oxide nanoparticles and its application in protein adsorption: isotherm, kinetic, and thermodynamic study ]]>
<![CDATA[ Molekul Vol 17 No 1 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.1.5571
<![CDATA[Iron oxide nanoparticles, such as Fe3O4, are commonly used in various applications, such as drug delivery, magnetic fluid, water purification, and enzyme immobilization. These applications require protein to be adsorbed on the surface of iron oxide nanoparticles. However direct utilization of iron oxide nanoparticles has several drawbacks, thus modification of iron oxide nanoparticles is usually done. In this study, we reported surface modification of Fe3O4 using tannic acid to adsorb bovine serum albumin (BSA). The effect of modification and the BSA adsorption on the Fe3O4 was characterized using Fourier Transform Infrared Spectroscopy, X-ray Diffraction, Scanning Electron Microscopy, and Transmission Electron Microscopy. Furthermore the adsorption performance of modified and unmodified Fe3O4 was investigated at various initial pH, BSA concentration, and adsorption temperature. Several kinetic and isotherm adsorption models were used to describe the adsorption in this study. It was found that highest BSA adsorption was obtained at pH 4.8, near BSA’s isoelectric point. The adsorption kinetics followed the pseudo 2nd order model and reached equilibrium after 210 min adsorption. Based on Langmuir monolayer adsorption capacity, it was found that tannic acid modified Fe3O4 had 5 times higher adsorption capacity (222 mg/g), compared to unmodified Fe3O4 (46 mg/g). Furthermore, from the thermodynamic study, it was suggested that the BSA adsorption was endothermic, spontaneous, and random in nature.]]>
<![CDATA[Computational Study Potency of Eugenol and Safrole Derivatives as Active Sunscreen Material ]]>
<![CDATA[Yusthinus Thobias Male]]>;
<![CDATA[I Wayan Sutapa]]>;
<![CDATA[Mirella Fonda Maahury]]>;
<![CDATA[Muhamad Jamal]]>;
<![CDATA[Dominggus Male]]>
<![CDATA[ Molekul Vol 17 No 1 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.1.5574
<![CDATA[Computational studies have been carried out on eugenol and safrole derivatives as active sunscreen materials. The calculations were using Density Functional Theory (DFT) with the B3LYP functional and basis set 6-31G (d). The calculated eugenol derivative i.e. 3,4-dimethoxy isobutyl cinnamate; 3,4-dimethoxy isoamyl cinnamate; 3,4-dimethoxy isohexyl cinnamate; 3,4 dimethoxy isoheptyl cinnamate; 3,4-dimethoxy isoctyl cinnamate. The calculated safrole i.e. 3,4-methylenedioxy isobutyl cinnamate; 3,4-methylenedioxy isoamyl cinnamate; 3,4-methylenedioxy isohexyl cinnamate; 3,4-methylenedioxy isoheptyl cinnamate; and 3,4-methylenedioxy isooctyl cinnamate. The main parameter in determining the potential of sunscreen compounds is energy gap. The results of computational calculations show that the 3,4-methylenedioxy isohexyl cinnamate has the smallest energy gap (HOMO-LUMO) of 0.15021 eV. This shows that 3,4-methylenedioxy isohexyl cinnamate has a better potential as an active sunscreen material. In addition, the elongation of the alkyl chain does not significantly affect the HOMO-LUMO energy difference]]>
<![CDATA[Antimicrobial and Antibiofilm Activities of Bacterial Strain P-6B from Segara Anakan Against MRSA 2983 ]]>
<![CDATA[Ari Asnani]]>;
<![CDATA[Annisa Permata Dinda]]>;
<![CDATA[Abdi Rahman Nursyamsi]]>;
<![CDATA[Dwi Utami Anjarwati]]>
<![CDATA[ Molekul Vol 17 No 1 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.1.5575
<![CDATA[Methicillin-resistant Staphylococcus aureus (MRSA) infection has become a worldwide concern due to the increasing MRSA resistance to antibiotics. This condition encourages the continuous exploration of new anti-MRSA compounds. Thus, this study explored the effect of carbon (starch, glucose, sucrose, lactose) and nitrogen (casein, yeast extract, urea, peptone) sources for the fermentation medium to produce antibacterial and antibiofilm compounds from bacterial strain P-6B against MRSA 2983. The results showed that six-day incubation produced bioactive extracts with the highest antimicrobial activity (11.361 ± 0.860 mm) and the highest activity to inhibit biofilm formation (89.159 ± 0.293% %). In comparison, three-day incubation produced a bioactive extract with the highest activity to degrade biofilm (86.450 ± 3.260%). Glucose was the best carbon source to produce an extract with antibacterial and biofilm inhibition activities. However, starch was the best carbon source to produce an extract with biofilm degradation activity. Urea was the best nitrogen source to produce extracts with antimicrobial and antibiofilm activities. Species identification based on the 16S rRNA gene revealed a 99.78% similarity with Ochrobactrum intermedium strain NBRC 15820 (NR_113812.1). These findings suggested the potency of Ochrobactrum P-6B from Segara Anakan Cilacap as indigenous sources of bioactive compounds with anti-MRSA activities.]]>
<![CDATA[Biodegradation Kinetic Study of Cassava & Tannia Starch-Based Bioplastics as Green Material in Various Media ]]>
<![CDATA[Marcelinus Christwardana]]>;
<![CDATA[Ismojo Ismojo]]>;
<![CDATA[Sidik Marsudi]]>
<![CDATA[ Molekul Vol 17 No 1 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.1.5591
<![CDATA[The rate of biodegradation of cassava – tannia starch bioplastic in various media was evaluated. Bioplastic degradation profile for a period of 4 weeks was seen following the Hills Equation where the speed of bioplastic biodegradation in sand media had higher yields than farm soil and compost media with the value up to 98.84 %. This is also proven by measuring the rate of degradation reaction using a first order reaction rate, where the value of the constant rate of reaction from bioplastics in sand is a little bit higher compared to farm soil and compost media (0.77647, 0.67133, and 0.15779 week-1, respectively). According to SEM pictures, there were numerous bacteria (either aerobic or anaerobic) and fungal species on the bioplastic surface, which have a role in the biodegradability of the polymer in bioplastics. The FTIR spectra of bioplastic biodegradation showed a decrease in the peak at 3400 - 3200 cm-1, and loss of the peak was present in the control at 2900 cm-1 which showed a breakdown of the polymer chain in the bioplastic especially in the O-H and C-H bonds, respectively. It can be concluded that farm soil and sand are the most optimal media in the bioplastic biodegradation process, while compost has potential but its maturity must be considered.]]>
<![CDATA[Azadirone-Type Limonoids from the Fruit of Chisocheton lasiocarpus and Their Cytotoxic Activity Against MCF-7 Breast Cancer Lines ]]>
<![CDATA[Erina Hilmayanti]]>;
<![CDATA[Nurlelasari Nurlelasari]]>;
<![CDATA[Dewa Gede Katja]]>;
<![CDATA[Ace Tatang Hidayat]]>;
<![CDATA[Sofa Fajriah]]>;
<![CDATA[Akhmad Darmawan]]>;
<![CDATA[Unang Supratman]]>;
<![CDATA[Mohamad Nurul Azmi]]>;
<![CDATA[Yoshihito Shiono]]>
<![CDATA[ Molekul Vol 17 No 1 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.1.5593
<![CDATA[Limonoid is derivatives of triterpenoid compound that have a wide variety of structures due to various ring-opening, rearrangements, and high-degree of oxidation. Limonoid is known as compounds that have wide-range of biological activities, including anticancer activity. This research was aimed to determine the chemical structure and cytotoxic activity of limonoid in the n-hexane extract of Chisocheton lasiocarpus fruit. Dried powder of C. lasiocarpus fruit was extracted using methanol followed by fractionated using n-hexane, ethyl acetate, and n-butanol. Five azadirone-type limonoids, 6α-(acetoxy)-14β,15β-epoxyazadirone (1), dysobinin (2), 7α-acetylneotricilenone (3), 6α-O-acetyl-7-deacetylnimocinol (4), and 7α-hyroxyneotricilenone (5), were isolated from the n-hexane extract of Chisocheton lasiocarpus fruit. The chemical structure of all compounds was identified by spectroscopic analysis, including 1D, 2D-NMR, IR, UV and HR-TOF MS as well as by comparison with previous reported spectra data. Compounds 1-5 were investigated from this plant for first time. The cytotoxic activity of the isolated compounds against MCF-7 breast cancer line were examined and the results showed that 7α-hyroxyneotricilenone (5) showed the moderate activity with IC50 values of 53 μM]]>
<![CDATA[Terpenoids from the Stem bark of Aglaia elaeagnoidea and their cytotoxic activity against HeLa and DU145 Cancer Cell lines ]]>
<![CDATA[Dini Oktaviani]]>;
<![CDATA[Winda Sukmawati]]>;
<![CDATA[Kindi Farabi]]>;
<![CDATA[Desi Harneti]]>;
<![CDATA[Nurlelasari Nurlelasari]]>;
<![CDATA[Darwati Darwati]]>;
<![CDATA[Rani Maharani]]>;
<![CDATA[Tri Mayanti]]>;
<![CDATA[Agus Safari]]>;
<![CDATA[Unang Supratman]]>
<![CDATA[ Molekul Vol 17 No 1 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.1.5594
<![CDATA[Aglaia is the largest genus of the Meliaceae family which contains terpenoid compounds. This type of compounds showed a diverse structures and biological activities that can be found in natural resources. Aglaia elaeagnoidea is a species from Aglaia genus that only has a few previous research. This study was aimed to isolate and determine the chemical structure of terpenoid compounds from the ethyl acetate extract of A. elaeagnoidea stem bark. Ethyl acetate extracts were separated and purified by various chromatographic techniques to obtain compounds 1-5. Compounds 1-5 were identified their chemical structures by spectroscopic methods (IR, MS, and NMR) and comparison with previous reported spectral data. Compounds 1 and 2 were identified as eudesmane-type sesquiterpenoids, 5-epi-eudesm-4(15)-ene-1β,6β-diol (1) and 6α-Hydroxy-eudesm-4(15)-en-1-one (2). Compounds 3-5 were identified as dammarane-type triterpenoids, 20S,24S-epoxy-25-hydroxydammarane-3-one (3), 20S,24S-epoxydammarane-3α,25-diol (4), and 3α-epi-cabraleahydroxy lactone (5). These compounds are first time reported from this plant. Compounds 1-5 were tested for cytotoxicity against HeLa cervical cancer cell and DU145 prostate cancer cell and as a result, compound 4 (20S,24S-epoxydammarane-3α,25-diol) showed the stronger activity compared to other compounds.]]>
<![CDATA[Voltammetric Determination of Paracetamol with Carbon Paste Electrode Modified with Molecularly Imprinted Electropolymer ]]>
<![CDATA[I Wayan Tanjung Aryasa]]>;
<![CDATA[Indra Noviandri]]>
<![CDATA[ Molekul Vol 17 No 1 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.1.5595
<![CDATA[Paracetamol is a commom analgesic and antipyretic drug which used for reliefing fever and head ache. The determination of paracetamol dose in pharmaceuticals is very important, becauce an overdose can cause fulminating hepatic necrosis and other toxic effects. Therefore, it is necessary to measure the dose of paracetamol for the patient with precision to avoid harm. Many analytical methodologies have been proposed for determination of paracetamol dose. One of the methods was developed in the past two decades. Generally, electroanalytical approach especially voltammetry method is particularly design for determination of paracetamol dose especially in modifying electrode. This study aims to modified carbon paste electrode with molecularly imprinted polymer (MIP). Significant advantages of using MIP are the superior stability, low cost and ease of preparation. The poly (3-aminiophenol) film was prepared by cyclic voltammetry method and 3-aminophenol monomer in supporting electrolyte (HClO4) with and whitout presence of paracetamol molecule. The effect of paracetamol was seen at cyclic voltammogram was founded, where oxidation peak potential of poly (3-aminophenol) shifted to more cathodic potentials from 0.948 to 0.780 V, in presence of paracetamol. The Ipa showed a good linear relationship with concentration in the range 0.01–0.1 mM, and the detection limit was 4,63 μM.]]>
<![CDATA[Selective Colorimetric Detection of Mercury(II) using Silver Nanoparticles-Chitosan ]]>
<![CDATA[Monica Avissa]]>;
<![CDATA[Mohammad Alauhdin]]>
<![CDATA[ Molekul Vol 17 No 1 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.1.5597
<![CDATA[Contamination of the environment by hazardous metal ions has been a major environmental issue for the past several decades. Among several hazardous metals, mercury ion (Hg(II)) is of particular concern as its compounds are extremely toxic. Hence, developing detection methods for traces of Hg(II) ions in aquatic systems is critical for mercury pollution mitigation. One method that can be used to monitor Hg(II) in aquatic systems is colorimetry-based method which is simple, rapid, and low-cost, yet selective and sensitive. The method can be conducted by applying the Localized Surface Plasmon Resonance phenomenon of metal nanoparticles, such as silver nanoparticles. There are non-Hg(II) ions in the aquatic environment that can interfere the measurements. Thus, a selective method is needed to obtain a valid measurement result. Here, we introduced silver nanoparticles-chitosan (AgNPs-Ch) synthesized by chemical reduction as a selective probe of Hg(II) in an aqueous solution. The AgNPs-Ch was synthesized from silver nitrate at 80°C using trisodium citrate and chitosan as reducing agent and stabilizer, respectively. The synthesized nanoparticles were spherical with an average size below 15.0 nm. Moreover, the AgNPs-Ch was selective for Hg(II) with a linearity of 0.9556 in the concentration range of 1 - 5 ppm and was able to detect the ion down to 1.33 ppm.]]>
<![CDATA[Molecular Docking of Xanthone Derivatives as Therapeutic Agent for Covid-19 ]]>
<![CDATA[Emmy Yuanita]]>;
<![CDATA[Sudirman Sudirman]]>;
<![CDATA[Ni Komang Tri Dharmayani]]>;
<![CDATA[Maria Ulfa]]>;
<![CDATA[Saprizal Hadisaputra]]>;
<![CDATA[Jufrizal Syahri]]>
<![CDATA[ Molekul Vol 17 No 1 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.1.5600
<![CDATA[Covid-19 has caused more than 14 million confirmed cases and more than 6 hundred deaths as of 21 July 2020 globally. However, there is no approved drug to treat the disease. Xanthone is a potential therapeutic option for the virus that have been tested using molecular docking. There were 12 of xanthone compounds and its derivatives which have been docked against two protein crystals, 2GX4.pdb and 6FV1.pdb, which obtained two potential compounds of hydroxyxanthone derivatives with sulfonate and chloro substitution. These compounds are potentially developed into one of the agents for the treatment of infection COVID-19 disease. Based on energy data and interactions with amino acid residues when compared with its own native ligands, namely NOL and E8E, respectively. Energy docking and energy docking interactions are equal to - 43.3057and - 45.5805 Kcal/mol respectively, during interactions with amino acid residues in the form of Gly 142, His 163, Cys144, Glu166, Gln164 and His 41. Based on these two data, it can be concluded that trihydroxyxanthone compounds 4 and 8 with chloro and sulfonate substitution are very potential to be developed as drug agents for Covid-19 disease therapy through protease inhibition.]]>
<![CDATA[Preparation and characterization of nanopowder of Acalypha hispida Leaves Extract Using Planetary Ball Milling ]]>
<![CDATA[Hamzah Alfarisi]]>;
<![CDATA[Siti Sa'diah]]>;
<![CDATA[Berry Juliandi]]>;
<![CDATA[Tutik Wresdiyati]]>
<![CDATA[ Molekul Vol 17 No 1 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.1.5601
<![CDATA[Acalypha hispida Burm.f. is commonly used as an ornamental plant known for pharmacological effects. The nanoscale extract increases bioavailability and bioactivity. This research aimed to produce and characterize nanopowder extract of A. hispida leaves. Powdered leaves were macerated in 96% ethanol, then was evaporated in the spry dryer. Nanopowder extract was produced using planetary ball milling at 5000 rpm in different milling times, namely 5 minutes (nanopowder A), 10 minutes (nanopowder B), and 40 minutes (nanopowder C). The nanopowder extracts were evaluated using a particle size analyzer, scanning electron microscope, and high-performance liquid chromatography. The average particle size of A. hispida crude extract was 1271 nm, and nanopowder A, B, and C respectively were 837.1 nm, 803.8, and 512.2 nm. The polydispersity index of A. hispida crude extract, nanopowder A, B, and C were 0.754, 0.696, 0.717, dan 0.612. The milling process for 40 minutes reduced the content of 5% gallic acid and 10.3% catechin. The SEM image of nanopowder C was smaller than crude extract. The best average particle size of nanopowder C (512.2 nm) and polydispersity index (0.612) were produced using PBM for 40 minutes at 5000 rpm.]]>
