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.
Articles
218 Documents
<![CDATA[The Potential of Paku Gajah (Angiopteris evecta) as Antitumor Through In Vitro and In Silico Studies ]]>
<![CDATA[Rasyid, Herlina]]>;
<![CDATA[Asmirah, Asmirah]]>;
<![CDATA[Firdausiah, Syadza]]>;
<![CDATA[Arief, Ihsanul]]>;
<![CDATA[Soekamto, Nunuk Hariani]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.10644
<![CDATA[ABSTRACT. Paku gajah (Angiopteris evecta) is one of the largest ferns which has been used empirically by the Dayak tribe of Kalimantan, Indonesia as a traditional medicine to treat various diseases, one of which is tumors. This research aims to determine the potential utilization of A. evecta stem extract as an antitumor by secondary metabolites analysis, toxicity and antitumor assay. The methods used in this study were gradual maceration using three solvents (n-hexane, ethyl acetate, and methanol), phytochemical screening, toxicity test, antitumor activity assay with the Alamarblue method, Liquid Chromatography-Mass Spectrometry (LC-MS) analysis, and molecular docking analysis. This study indicated that A. evecta stem extract contained secondary metabolites such as flavonoids, saponins, tannins, and steroids. The ethyl acetate and methanol were found as toxic extracts with LC50 130.67 and 314.31 µg/mL, respectively. In line with the toxicity, the antitumor activity of the ethyl acetate extract was the highest with an IC50 of 240.94 µg/mL and phytochemical analysis revealed the presence of violanthin and angiopteroside in the extract. Molecular docking showed that the binding energy and inhibition constants of violanthin and angiopteroside against receptors were higher than standard ligand F82. The interaction between violanthin and the receptor results five hydrogen-bond (H-bond) with Lys920, Cys919, Asp1046, and Leu840, while the angiopteroside produces four H-bonds with Leu836, Leu834, and Arg831. Keywords: Antitumor, molecular docking, paku gajah (Angiopteris evecta).]]>
<![CDATA[The Use of Molasses in Producing Bioethanol Catalyzed by Candida tropicalis (Isolated from Cocos nucifera. L) Immobilized MnFe2O4 Coated-Chitosan ]]>
<![CDATA[Kasmiarti, Getari]]>;
<![CDATA[Hermansyah, Hermansyah]]>;
<![CDATA[Novia, Novia]]>;
<![CDATA[Hariani, Poedji Loekitowati]]>
<![CDATA[ Molekul Vol 19 No 1 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.1.10765
<![CDATA[Bioethanol is a sustainable fuel product to be an alternative energy source. Therefore, the study aims to observe and analyze the effect of MnFe2O4 coated-chitosan in increasing bioethanol production. This bioethanol was produced from molasses with a high total sugar content of up to 50% with Candida tropicalis as the microorganism. Fermentation is divided into two parts, namely using free C. tropicalis and C. tropicalis immobilized MnFe2O4 coated-chitosan. There was electrostatic interaction between MnFe2O4 and chitosan in 578 cm-1 and 659 cm-1 of FTIR, cubic spinel pattern in XRD, and SEM surface image of C. tropicalis immobilized MnFe2O4 coated-chitosan interaction. These characterization results show very good properties as a biocatalyst. The highest concentration was produced by fermentation using C. tropicalis immobilized MnFe2O4 coated-chitosan about 4.35% with residual sugar of 8.46 g/L. In summary C. tropicalis immobilized MnFe2O4 coated-chitosan have the potential to improve bioethanol products.]]>
<![CDATA[Application of FTIR Spectroscopy and Chemometric to Differentiate Azadirachta excelsa (Jack.) Jacobs Leaves Extracts Based on Solvent Polarity and Assessment of Antibacterial Activity ]]>
<![CDATA[Adfa, Morina]]>;
<![CDATA[Erliana, Dina]]>;
<![CDATA[Wiradimafan, Khafit]]>;
<![CDATA[Triawan, Deni Agus]]>;
<![CDATA[Yudha S., Salprima]]>;
<![CDATA[Avidlyandi, Avidlyandi]]>;
<![CDATA[Rafi, Mohamad]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.10790
<![CDATA[ABSTRACT. Azadirachta excelsa is a plant belonging to the same genus as the Indian neem (Azadirachta indica) which is expected to have similar biological activities. However, its active components and pharmacological effects are limited. The composition and quantity of these metabolites in A. excelsa may differ due to different polarities of extracting solvents, so selecting an effective extractive solvent with a high level of biological activity is important. Therefore, in this study, we examined differences in the metabolite finger printing using FTIR-based metabolomics, as well as evaluated their antibacterial activity against Staphylococcus aureus (ATCC 6538) and Escherichia coli (ATCC 8739). A. excelsa was extracted using chloroform, ethyl acetate, ethanol p.a., 70% and 50% ethanol. Extracts obtained were analyzed using FTIR and the inhibition zones were then determined. The results showed that principal component analysis (PCA) could distinguish each sample based on the extraction solvent. In this study, we found 50% and 70% ethanol extracts had similar metabolite compositions and concentrations based on their respective FTIR spectrum. The inhibition zone of A. excelsa extracts ranged from 12.37-17.20 mm and 13.88-15.89 mm against S. aureus and E.coli, respectively. The chloroform extract was more effective against both bacteria. Duncan's further test showed that chloroform extract reduced E. coli similarly to ethyl acetate but not S. aureus. While 50%, 70%, and ethanol p.a. extracts inhibited S. aureus and E. coli equally. Based on these results, the polarity of the extracting solvent had an important influence on the metabolite profile and antibacterial activity of A. excelsa. Keywords: Azadirachta excelsa, antibacterial activity, metabolite fingerprinting, FTIR.]]>
<![CDATA[Molecular Docking of Nigella Sativa L. with PXR Receptors and the Effect of Thymoquinone on PXR Expression in HepG2 Cells ]]>
<![CDATA[Megawati, Annik]]>;
<![CDATA[Nurrochmad, Arief]]>;
<![CDATA[Nugroho, Agung Endro]]>;
<![CDATA[Lukitaningsih, Endang]]>;
<![CDATA[Marbun, Prajona]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.11003
<![CDATA[ABSTRACT. The interaction between herbal remedies and drugs is a fascinating phenomenon that might cause therapeutic complications in patients. Warfarin is an anticoagulant drug that provides anti-blood-clotting effects by inhibiting the formation of vitamin K-dependent coagulation factors, and warfarin interacts with the nuclear receptor PXR, subsequently modulating cytochrome P450 during the metabolism process. St. John's wort, an herbal medicine with antidepressant effects, can alter the pharmacokinetics of warfarin. Thymoquinone is one of the active compounds in N. sativa and has pharmacological activities such as anticoagulant, antidiabetic, diuretic, antidepressant, and anti-inflammatory effects. In this study, we investigated the compounds in Nigella sativa (N. sativa) against pregnane X receptor (PXR) and evaluated the impact of thymoquinone (TQ) administration on PXR expression in HepG2 cells. The molecular docking analysis was conducted utilizing the Molecular Operating Environment (MOE) with the PXR (PDB ID: 7AXJ). At the same time, the PXR gene expression was measured using RT-PCR instruments. The RMSD value in docking represents the deviation criteria between the native ligand position and the redocking position result, indicating the capability of MOE and PDB qualification for performing molecular docking. The docking analysis showed that warfarin had the strongest binding energy (7AXJ -6.0507) by forming hydrogen binding type on Arg410. Despite TQ being the major component, it also displayed a high affinity for the two PDB IDs (7AXJ -4.5962). Furthermore, the concurrent administration of warfarin and TQ (19.27 μM) in HepG2 cells showed a significant reduction in the relative mRNA expression of the PXR gene. Given the above-mentioned findings, our study adequately enables us to predict the mechanism behind herb-drug interactions (HDIs) implicating N. sativa, specifically the TQ compound to warfarin metabolism via the activation of the PXR receptor. Keywords: Thymoquinone, expression mRNA, PXR, molecular docking, HepG2 cells.]]>
<![CDATA[Treatment of Paracetamol in Water with Different Salinities over Powder and Supported TiO2 and ZnO Photocatalysts ]]>
<![CDATA[Saepurahman, Saepurahman]]>;
<![CDATA[Mulyani, Gina]]>;
<![CDATA[Sambudi, Nonni Soraya]]>;
<![CDATA[Kurniawan, Teguh]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.11017
<![CDATA[ABSTRACT. Paracetamol's (PCT) Paracetamol's (PCT) presence in water bodies poses a risk to both aquatic life and humans. This study aims to examine the effect of salinities on PCT removal in water using powder and supported photocatalysts. ZnO powder is a superior photocatalyst to TiO2, where the rate constant can be 18 times higher. Salinity boosted the PCT removal up to 2.7 times for TiO2 at lower concentrations but decreased the PCT removal for TiO2 and ZnO at higher values. Immobilizing the powder photocatalysts on a nonwoven polyester support (NPS) dropped the photocatalytic activity, especially for ZnO, whose performance was 36 times lower than its powder counterpart. The passivation of the photocatalysts by the silica binder necessary for attaching the photocatalyst to the support can be linked to the decline in the performance of TiO2 and ZnO composites. The silica and TiO2 formed homogeneous layers on the NPS, unlike the silica and ZnO layers. High salinity reduced the performance of TiO2 composites by 20 times but showed no significant effect on ZnO composites. The performance of the ZnO composite was further reduced when real seawater was used as feed. Keywords: Titanium dioxide, zinc oxide, polyester, paracetamol, salinity.]]>
<![CDATA[Evaluation on the Application of Pseudommonas fluorescens and Chitosan Against Soybean Mosaic Virus ]]>
<![CDATA[Andayanie, Wuye Ria]]>;
<![CDATA[dinurani, Praptiningsih Gamawati]]>;
<![CDATA[Lukito, Martin]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.11031
<![CDATA[ABSTRACT. Soybean mosaic virus (SMV) causes a decrease in soybean [Glycine max (Leguminosae) Merril] production. Activity of the Pseudomonas fluorescens (Pseudomonadaceae ) and chitosan can increase soybean plant resistance to SMV and stimulate plant growth. Therefore, The study aimed to evaluate the effect of increasing salicylic acid and total phenol contents on the biological control activity of P. fluorescens and chitosan against SMV. This study used two soybean varieties (Wilis and Anjasmoro) and three lines (GK/Mlg 3288-7-11, W/PI 200.485-7-14, and GK/PI200.485-7-2). Treatment using seed encapsulation with P. fluorescens combined with chitosan on the Wilis variety was the highest percentage of the total phenolic and salicylic acid content. In addition, Applying P. fluorescens with chitosan suppresses disease incidence on the Wilis variety and GK/Mlg 3288-7-11 line. Moreover, the ELISA absorbance value was low (0.182−0.224) and reacted negatively with no symptoms. Therefore, applying P. fluorescens combined with chitosan on the GK/Mlg 3288-7-11 line could be developed as the candidate variety for SMV control in the endemic soybean plant area. Keywords: Disease incidence, ELISA, induce systemic resistance, secondary metabolites, soybean.]]>
<![CDATA[Preparation of Oil Palm Leaves Ash-Supported Titania for the Elimination of Safranin-O Dye in Water ]]>
<![CDATA[Yudha S, Salprima]]>;
<![CDATA[Adfa, Morina]]>;
<![CDATA[Istiqphara, Swadexi]]>;
<![CDATA[Falahudin, Aswin]]>;
<![CDATA[Reagen, Muhamad Alvin]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.11078
<![CDATA[ABSTACT. The objective of this study was to develop an approach for incorporating titanium oxide or titania into oil palm leaves ash (OPLA) using a simple procedure. The study process comprised the mixing of oil palm leaves (OPL) powder and titanium tetraisopropoxide in chloroform solvent, followed by the elimination of the solvent to obtain a solid residue. Subsequently, the residue obtained was calcined at 500 °C for 5 hours, leading to the production of a yellow-light powder. The results of product characterization using X-ray diffraction (XRD) and scanning electron microscopy analysis showed the presence of titanium oxide in OPLA. In addition, the wide diffractogram detected in XRD analysis revealed the presence of a silica peak. The un-sharp peaks in the regions of 25.6°, 38.2°, 47.9°, 54.5°, and 62.9° showed that the TiO2 particles were pure anatase, and no peaks of other TiO2-anatase phases were detected. Analysis using SEM showed that the surface of the material obtained was irregular and tended to have a hollow shape, while energy dispersive X-ray analysis revealed a SiO2 content of approximately 73%. However, the titanium element or titania was not detected possibly due to its small concentration. The material obtained also had a good catalytic activity for safranin-O dye elimination under sunlight irradiation, which served as the activation energy source. Based on these findings, the use of OPLA (a side product of oil palm plantations) could be evaluated economically due to its effective role in the catalytic process despite the addition of a small amount of titania catalyst. Keywords: Oil palm leaves ash, titania, safranin-O, sunlight irradiation.]]>
<![CDATA[Four Azadirone-Type Limonoids from Chisocheton Pentandrus Stem Bark and Their Cytotoxic Acitivity Against Mcf-7 Breast Cancer Cell Lines ]]>
<![CDATA[Supratman, Unang]]>;
<![CDATA[Runadi, Dudi]]>;
<![CDATA[Naini, Al Arofatus]]>;
<![CDATA[Purnama, Purnama]]>;
<![CDATA[Mayanti, Tri]]>;
<![CDATA[Harneti, Desi]]>;
<![CDATA[Nurlelasari, Nurlelasari]]>;
<![CDATA[Maharani, Rani]]>;
<![CDATA[Farabi, Kindi]]>;
<![CDATA[Nafiah, Mohamad Azlan]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.11085
<![CDATA[ABSTRACT. Limonoid group belongs to triterpenoid that has undergone further oxidation accompanied by the loss of four carbon atoms to form a furan ring in the chain. This limonoid compound is often found in the Chisocheton genus. Limonoid compounds have been known as compounds with high structural variations and this makes limonoids have diverse and interesting activities, including cytotoxic and anticancer. In the course of our continuing study for limonoid constituents that have cytotoxic activity against cancer cell lines, methanol extract of stem bark from the Chisocheton pentandrus plant provides significant activity. The methanol extract was separated using various chromatographic techniques in the normal and reverse stationary phase to produce four azadirone-type limonoid compounds (1-4). The elucidation structure of 1-4 was determined using spectroscopic methods including, UV-Visible, IR, and 1D-NMR as well as optical rotation. All four known compounds were established as trichilenone acetate (1), toonaciliaton C (2), 11α-acetoxiazadiron (3), and 16β-hydroxydisobinine (4). The cytotoxicity of compounds 1-4 was assessed by examination using the resazurin method, which showed that compound 4 was the promising constituent against the MCF-7 cells with an IC50 value of 43.1 µM and was stronger than its positive control. Keywords: Azadirone-type limonoid, Chisocheton pentandrus, cytotoxic activity, Meliaceae.]]>
<![CDATA[The Role of The Ni/HZSM-5 Ratio on The Anisole Hydrodeoxygenation Reaction ]]>
<![CDATA[Nugrahaningtyas, Khoirina Dwi]]>;
<![CDATA[Nurcahyo, I F]]>;
<![CDATA[Hidayat, Yuniawan]]>;
<![CDATA[Rahmawati, Fitria]]>;
<![CDATA[Fadlulloh, Zaki]]>;
<![CDATA[Heraldy, Eddy]]>;
<![CDATA[Qurrotul'aini, Nisriina 'Abidah]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.11105
<![CDATA[ABSTRACT. Bio-oil is a renewable energy source with high oxygen levels, and anisole is a chemical widely employed in research to represent it. Catalytic hydrodeoxygenation (HDO) reduces the oxygen content. A catalyst known as nickel-modified HZSM-5 has shown promising results for HDO. Meanwhile, catalyst efficiency depends on the Ni/HZSM-5 ratio. So, this study aims to determine how the Ni/HZSM-5 ratio influences the catalyst's properties, activity, and selectivity in anisole HDO. The Ni/HZSM-5 catalyst was made using the wet impregnation method with various ratios of Ni/HZSM-5. The catalysts were analyzed for their morphology using scanning electron microscopy-energy-dispersive X-ray (SEM-EDX). The diffraction patterns were studied using X-ray diffraction (XRD). Surface area and porosity were determined through gas sorption analysis (GSA). Then, the acidity strength was evaluated via temperature-programmed ammonia desorption (NH3-TPD). The characterization results show Ni was successfully impregnated and distributed evenly in HZSM-5 without changing the primary structure. Adding Ni metal to HZSM-5 increases the surface area of the catalyst but reduces its acid strength. The catalytic performance of the catalysts was then evaluated in a flow reactor at 400 °C, using 15 mL/min H2 gas. The liquid products of the reaction were analyzed using gas chromatography-mass spectroscopy (GC-MS). The results of the catalytic performance show that Ni4.5/HZSM-5 has the highest catalytic activity in anisole conversion. At the same time, Ni6.4/HZSM-5 shows the highest selectivity towards benzene-toluene-xylene (BTX). Keywords: Hydrodeoxygenation, nickel, anisole, heterogeneous catalyst, acidity.]]>
<![CDATA[Cationic Dye Adsorption Using Silica Xerogel from Corn Husk in A Continuous Fixed-Bed Column ]]>
<![CDATA[Dahliyanti, Ayu]]>;
<![CDATA[Nabila, Luthfia Jihan]]>;
<![CDATA[Pratama, Arka Krisna]]>;
<![CDATA[Widharyanti, Ika Dyah]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.11192
<![CDATA[ABSTRACT. Silica xerogel from corn husks shows potential to be applied as an adsorbent for cationic dye removal due to its high adsorption capacity. However, the study regarding its performance in a continuous operation is still very limited, which hinders its application as a commercial adsorbent. To answer that problem, we investigate the adsorption of methylene blue (MB) and crystal violet (CV) dye using silica xerogel from corn husk in a continuous fixed-bed column. A breakthrough curve analysis was carried out with flow rate and bed height variations in an up-flow mode. The column effluent concentration was analyzed using a UV-Vis Spectrophotometer. The experimental data shows good agreement with the Thomas/Bohart-Adams and Yoon-Nelson model at different flow rates but has less correspondence for increasing bed height. Maximum adsorption capacities for methylene blue were 1.977 mg/g (Thomas/BA) and 1.743 mg/g (experimental). While for crystal violet the maximum adsorption capacities were 3.400 mg/g (Thomas/BA) and 4.573 mg/g (experimental). Keywords: adsorption, cationic dyes, silica xerogel, fixed-bed column, mathematical model.]]>
