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[Antioxidant and Antibacterial Activities of Plant and Endophytic Fungi Extracts from Syzygium myrtifolium Walp, with LC-HRMS Profiling of Active Extracts ]]>
<![CDATA[Efendi, Sintia Frisky]]>;
<![CDATA[Suryati, Suryati]]>;
<![CDATA[Rahmi, Dwinna]]>;
<![CDATA[Praptiwi, Praptiwi]]>;
<![CDATA[Ilyas, Muhammad]]>;
<![CDATA[Agusta, Andria]]>
<![CDATA[ Molekul Vol 20 No 2 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.2.16366
<![CDATA[ABSTRACT. The emergence of antibiotic resistance and oxidative stress-related diseases highlights the urgent need for novel bioactive compounds. This study investigates the potential of Syzygium myrtifolium Walp. and its endophytic fungi as sources of antibacterial and antioxidant agents. Sixteen endophytic fungi isolates were obtained from six plant parts and identified morphologically. Thin layer chromatography (TLC)-based chemical profiling demonstrated comparable secondary metabolite patterns between the plant and its endophytic fungi, indicating possible shared biosynthetic pathways. Antibacterial screening using TLC-bioautography and minimum inhibitory concentration (MIC) assays demonstrated that both the plant and endophytic fungi extracts inhibited the growth of Staphylococcus aureus and Escherichia coli, with Xylaria sp. showing notable activity. (SmDh4) exhibiting the strongest activity (MIC = 64 µg/mL). Antioxidant activity determined using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay indicated high to very high radical inhibition capacity, especially in SmRTd (AAI = 25.91) and SmAk1 (AAI = 24.97). Liquid chromatography-high resolution mass spectrometry (LC-HRMS) analysis unique secondary metabolites on endophytic fungi, including L-α-palmitin, α-eleostearic acid, and 8-methylnaphthalene-1,2-diol, which were detected exclusively in the endophytic fungi extracts, highlighting their potential as alternative antibacterial and antioxidant agents. Keywords: Antibacterial, antioxidant, endophytic fungi, secondary metabolites, Syzygium myrtifolium Walp.]]>
<![CDATA[The Desalination of Seawater from Jepara Beach uses Hollow Fiber Imprinted Membrane-Based Eugenol ]]>
<![CDATA[Djunaidi, Muhammad Cholid]]>;
<![CDATA[Maharani, Nesti Dwi]]>;
<![CDATA[Khabibi, Khabibi]]>;
<![CDATA[Susanto, Heru]]>;
<![CDATA[Filardli, Abdullah Malik Islam]]>
<![CDATA[ Molekul Vol 20 No 1 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.1.7836
<![CDATA[ABSTRACT. In 2022, Indonesia will experience a major problem with clean water, almost 119 million people do not have access to clean water and are forced to consume unsuitable water. This problem is caused by poor water management and the high cost of separating using a reverse osmosis membrane. The abundance of seawater in Indonesia and Jepara in particular has encouraged researchers to create alternative desalination membranes that are efficient and selective using Hollow Fiber Desalination Imprinted Membranes (HFDIM), which are available on the market with better quality. Hollow Fiber uses an imprinted method that has good efficiency and selectivity. The variations used in this research were variations in seawater dilution concentration of 0, 3, 5, and 10 times. In tensile, biodegradable, contact angle, TGA, porosity, water absorption, flux, and transport tests, the best results were obtained using HFDIM at varying concentrations of 10 times dilution solutions with a percentage of 86.67% in the receiving phase and 10.89% in the feed phase. on HFDNIM it is 48.33% in the receiving phase and in the feed phase it is 50%. Keywords: Desalination, hollow fiber, imprinted, polyeugenol]]>
<![CDATA[Bioactive Compounds of n-Hexane Fraction of Syzygium samarangense Stem Bark and Molecular Docking Study as Anticancer Agent ]]>
<![CDATA[Tukiran, Tukiran]]>;
<![CDATA[Sururi, Ahmad Misbakhus]]>;
<![CDATA[Constanty, Irene Cornelia]]>
<![CDATA[ Molekul Vol 20 No 1 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.1.8673
<![CDATA[ABSTRACT. Syzygium samarangense or jambu Semarang is one of the typical Indonesian plants whose stem bark is rarely used. Research reports on stem bark provide the potential for development in the medical field, especially in cancer. The main objectives of this study were to identify its bioactive content and describe its potential bioactivity as an EGFR inhibitor for anticancer candidates in silico. The stages of the research was started with extraction (methanol), then fractionation (n-hexane) to obtain n-hexane fraction. Then, identification of the chemical content of the fractions was carried out using LC-MS. In order to know the content of anticancer potency of the identified compounds was analyzed by molecular docking. It can be reported that there are totally 35 compounds in the fraction. Based on molecular docking analysis, There were 4 of 35 compounds in the fraction, which had anticancer potency namely: isoengeletin (i); epibetulinic acid (ii); myricitrin (iii), and stigmasterol-3-O-β-D-glucoside (iv). Through PASS prediction data, it is known that the four compounds have the potency to be antineoplastic and anticarcinogenic with moderate to high activity categories. Further studies, such as in vitro and in vivo, are needed to validate its bioactivity as an anticancer. Keywords: anticancer, bioactivity, LC-MS, molecular docking, Syzygium samarangense]]>
<![CDATA[Docking Study of Naphthalene Compounds from Eleutherine Bulbosa as Antidiabetic Agents on Multiple Receptors ]]>
<![CDATA[Anam, Syariful]]>;
<![CDATA[Yuyun, Yonelian]]>;
<![CDATA[Yusriadi, Yusriadi]]>;
<![CDATA[Sultan, Asriana]]>;
<![CDATA[Pakaya, David]]>;
<![CDATA[Maulana, Saipul]]>;
<![CDATA[Zubair, Muhammad Sulaiman]]>
<![CDATA[ Molekul Vol 20 No 1 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.1.10942
<![CDATA[ABSTRACT. Diabetes Mellitus is a severe disease to the world health community; it is estimated that 700 million people worldwide will suffer from it. The approach taken to this disease includes improving lifestyle and pharmacological therapy. Recent pharmacological therapeutic approaches include inhibiting the α-glucosidase enzyme, the dipeptidyl peptidase 4 (DPP-4) enzyme, and the sodium-glucose co-transporter-2 (SGLT-2) protein. This research aims to conduct a docking study on three naphthalene compounds from Eleutherine bulbosa against three receptors: α-glucosidase, the DPP-4, and the SGLT-2 protein. The methods used are protein structure preparation, docking protocol validation, preparation of E. bulbosa test ligand structures, and molecule docking for test compounds. Validation was carried out by calculating the Root Mean Square Deviation (RMSD) values using PyMOL software; the results showed that the RMSD value of native ligands was <2Å. Molecular docking of the test compounds was conducted using Autodock Vina 1.2.3 ver 2020. Eleutherinoside A showed the highest binding against the α-glucosidase and DPP-4 protein. Eleuthoside B has the most increased binding to SGLT-2 protein. The research concluded that three naphthalene compounds from E. bulbosa can be used as an antidiabetic agent. Keywords: Antidiabetic; Docking study; Eleutherine bulbosa; Naphthalene; α-glucosidase; DPP-4; SGLT-2]]>
<![CDATA[A Comparative Evaluation of Solid-State Catalysts for Synthesis of Non-Ionic Surfactant Based Oleic Acid for Enhanced Oil Recovery (EOR) ]]>
<![CDATA[Sampora, Yulianti]]>;
<![CDATA[Sofyan, Muhammad Ihsan]]>;
<![CDATA[Ghozali, muhammad]]>;
<![CDATA[Triwulandari, Evi]]>;
<![CDATA[Restu, Witta Kartika]]>;
<![CDATA[Ndruru, Sun Theo Constan Lotebulo]]>;
<![CDATA[Devy, Yenni Apriliany]]>;
<![CDATA[Handayani, Annisa Fitriyah]]>;
<![CDATA[Safitri, Gita Nur]]>;
<![CDATA[Satria, Erza Eka]]>
<![CDATA[ Molekul Vol 20 No 1 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.1.11077
<![CDATA[Abstract. The Enhanced Oil Recovery (EOR) process with chemical techniques carried out by injecting chemicals such as surfactants, can be an alternative to increase oil production, especially in old oil wells. This study investigated the best formulation of non-ionic surfactants based on the mole ratio of oleic acid and PEG-400 as well as catalyst types such as KOH and p-TSA 1%, which are used in surfactant synthesis to be able to increase oil production. The tests carried out are the value of acid, saponification, ester, and iodine, FTIR, NMR as well as a test of compatibility, phase behavior, and IFT. The results showed that the best formulation of ester polyethylene glycol oleate with reaction temperature conditions of 130oC was at a mole ratio of 1: 4 using a 1% p-TSA catalyst with a value of acid is 3,61 mg KOH/g, saponification is 144,12 mg KOH/g, ester is 140,51 mg KOH/g and iodine is 76,70 g I2/100 g. The compatibility tests and phase behavior show that this surfactant can be developed in chemical EOR with an IFT value of 2,6 x 10-1 mN/m. Keywords: Enhanced oil recovery, oleic acid, solid-state catalysts, synthesis]]>
<![CDATA[Identification of Antibacterial Compounds in Black Garlic against Salmonella typhimurium using HPLC-Fingerprinting and Chemometrics ]]>
<![CDATA[Abiyyuddin, M. Farras]]>;
<![CDATA[Rahayu, Winiati P]]>;
<![CDATA[Yuliana, Nancy Dewi]]>;
<![CDATA[Setiawan, Abdul Aziz]]>;
<![CDATA[Anggraeni, Ririn]]>;
<![CDATA[Marwanta, Edy]]>;
<![CDATA[Marasabessy, Ahmad]]>
<![CDATA[ Molekul Vol 20 No 1 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.1.11378
<![CDATA[ABSTRACT. Black garlic is an aged product derived from fresh garlic and exhibits potential antibacterial properties. This study aims to identify the antibacterial compounds in black garlic against Salmonella typhimurium using HPLC fingerprinting and chemometrics. The antibacterial activity of the n-hexane fraction, methanol fraction, and water fraction were analyzed using the well diffusion method. Only the water fraction exhibited an inhibitory zone against S. typhimurium of 11.96 ± 1.86 mm. The chemical profile of each fraction, analyzed by HPLC-MWD, was correlated with antibacterial activity data using Orthogonal Projection to Latent Structure. A retention interval of 2.50 – 2.99 and 2.00 – 2.49 minutes of the water fraction at a wavelength of 214 nm demonstrated a correlation with antibacterial activity. The peaks identified in HPLC-MWD at a retention interval of 2.50 – 2.99 and 2.00 – 2.49 minutes exhibited a similar pattern to the peaks appearing at a retention time of 1.12 and 1.06 minutes on the UHPLC-Q-Orbitrap-HRMS chromatogram. The resultant peak in the UHPLC-Q-Orbitrap-HRMS analysis of the water fraction indicated that it was attributed to S-allyl cysteine and S-allyl mercaptocysteine. Keywords: black garlic, metabolomics, S-allyl cysteine, S-allyl mercapto cysteine]]>
<![CDATA[Evaluating The Effects of Chitin and Its Analogues with Improved Solubility on Human Hexokinase Isoform 2 for Dengue Treatment via Virtual Screening Analyses ]]>
<![CDATA[Ahmad Fuad, Fazia Adyani]]>;
<![CDATA[Azizi, Nur Aqilah Husna]]>;
<![CDATA[Abdul Wahab, Mohd Firdaus]]>;
<![CDATA[Shaarani, Siti Hajar Noor]]>;
<![CDATA[Tengku Abdul Rashid, Tengku Rogayah]]>
<![CDATA[ Molekul Vol 20 No 1 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.1.12649
<![CDATA[ABSTRACT. Dengue fever, a vector-borne disease caused by dengue virus (DENV) is currently endemic in over 100 countries. Despite being pronounced as one of the WHO’s ten threats to global health in 2019, there are currently no antiviral therapies for dengue fever available in the market. Hence, finding the cure for dengue is still currently under pursuit. Chitin, the most abundant biopolymer after cellulose was shown to be one of the potential inhibitors of human hexokinase isoform 2 (HK2), which can subsequently impair DENV upon their replication in human bodies. However, the insolubility characteristics of chitin may cause issues in the subsequent in vitro and in vivo analyses. This project aims to screen for analogues of chitin with improved solubility and high binding affinity when interacting with HK2 via an in silico approach. In this study, ligand-based screening was conducted to find the analogues of chitin, while solubility prediction was performed to predict the solubility of the analogue compounds. Subsequently, structure-based screening was conducted via molecular docking to observe the binding affinity of the analogues with HK2. As a result, a compound known as β-N-acetyl-D-galactosamine was identified as an analogue of chitin with a similarity score of 99.47%. The compound also possessed high solubility (higher than 0.06 mg/ml) and negative LogP value (-3.22), which indicates a higher preferential solubility in water. In addition to that, toxicity prediction test exhibited that β-N-acetyl-D-galactosamine falls under class 6 of toxicity, indicating that it is a non-toxic compound. Thus, a potential drug that may treat dengue fever and safe to be administered to patients can be potentially developed by using this compound. Keywords: Chitin, chitin analogues, dengue fever, dengue treatment, hexokinase isoform 2]]>
<![CDATA[Steroids Produced by Endophytic Fungi (Fusarium phaseoli) Isolated from Chisocheton macrophyllus and their Antibacterial Activity against Escherichia coli and Staphylococcus aureuss ]]>
<![CDATA[Katja, Dewa Gede]]>;
<![CDATA[Sari, Aprilia Permata]]>;
<![CDATA[Sinaga, Siska Elisahbet]]>;
<![CDATA[Nurlelasari, Nurlelasari]]>;
<![CDATA[Farabi, Kindi]]>;
<![CDATA[Sofian, Ferry Ferdiansyah]]>;
<![CDATA[Fajriah, Sofa]]>;
<![CDATA[Naini, Al Arofatus]]>;
<![CDATA[Supratman, Unang]]>
<![CDATA[ Molekul Vol 20 No 1 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.1.12727
<![CDATA[ABSTRACT. Steroids are secondary metabolic derivatives of terpenes containing the tetracyclic ring system known to exhibit fascinating pharmacological activity. Steroids are distributed in various genera of endophytic fungi including Fusarium genus which lives inside a higher tree such as Chisocheton macrophyllus. The purpose of this research is to identify and characterize the chemical structure of steroids generated by F. phaseoli, an endophytic fungus obtained from C. macrophyllus roots, as well as to assess their antibacterial activity against Escherichia coli and Staphylococcus aureus. The brown rice medium was fermented with F. phaseoli for six weeks before extraction with ethyl acetate. The extracts yielded four compounds, identified using spectroscopic methods such as FTIR, HRTOF-MS, 1D, and 2D NMR, and then compared to previously described compounds. Compounds 1-4 were identified as ergosterol (1), ergosterol peroxide (2), atroside (3), and cerevisterol (4). The four isolated compounds were evaluated for antibacterial activity against Staphylococcus aureus ATCC 6538 and Escherichia coli ATCC 11229 and displayed activity with MIC50 values of 500 µg/mL. Keywords: Antibacterial activity; Chisocheton macrophyllus; Fusarium phaseoli; steroids.]]>
<![CDATA[Dammarane Triterpenoids from Aglaia eximia Miq. and Their Cytotoxic Activity Against P388 Murine Leukemia Cell ]]>
<![CDATA[Farabi, Kindi]]>;
<![CDATA[Harneti, Desi]]>;
<![CDATA[Nurlelasari, Nurlelasari]]>;
<![CDATA[Maharani, Rani]]>;
<![CDATA[Mayanti, Tri]]>;
<![CDATA[Hidayat, Ace Tatang]]>;
<![CDATA[Fajriah, Sofa]]>;
<![CDATA[Naini, Al Arofatus]]>;
<![CDATA[Sofian, Ferry Ferdiansyah]]>;
<![CDATA[Azmi, Mohamad Nurul]]>;
<![CDATA[Supratman, Unang]]>
<![CDATA[ Molekul Vol 20 No 1 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.1.12796
<![CDATA[ABSTRACT. Triterpenoids are a large group of secondary metabolites commonly found in plants, exhibiting high diversity in both structural features and biological activities. Meliaceae family is knows as a rich source of the triterpenoid compounds. As the most extensive genus within the Meliaceae family, Aglaia is known to contain many bioactive triterpenoid compounds, including cytotoxic triterpenoids. Among the various types of triterpenoids, dammarane is frequently found in Aglaia and has demonstrated potential cytotoxic activity. This purpose of the research was to isolate and structure determination of four dammarane triterpenoids from the methanol extract of Aglaia eximia stem bark. All four compounds were successfully isolated and identified as, dammar-24-en-3a,20-diol (1), 20S,24S-epoxy-dammar-3a,25-diol (2), (E)-dammar-23-en-3a,20,25-triol (3), and (E)-25-hydroperoxydammar-23-en-3a,20-diol (4), respectively. The compounds were analyzed using a combination of spectroscopic techniques, including HRMS (high-resolution mass spectroscopy), FTIR (fourier transform infrared spectroscopy), and NMR (nuclear magnetic resonance, one and two dimensional). Cytotoxicity assays using the MTT method were applied to compounds 1-4. All isolated compounds (1-4) generated moderate cytotoxic activity against P388 murine leukemia cells with IC50 9.09, 11.03, 5.89, and 5.74 μg/mL, respectively. Preliminary structure-activity relationship (SAR) analysis suggested that the presence of hydroxyl and hydroperoxyl groups at C-25 increases cytotoxicity, whereas the cyclization in the side chain to form an epoxide ring decreases cytotoxicity. Keyword: Triterpenoids, Meliaceae, Aglaia eximia, cytotoxicity, P388 murine leukemia cells]]>
<![CDATA[Body Composition and Digestive Enzyme Activity of Hard-Lipped Barb (Osteochilus vittatus) Feed with Supplementation of Spirulina platensis and Chlorella vulgaris ]]>
<![CDATA[Simanjuntak, Sorta Basar Ida]]>;
<![CDATA[Susilo, Untung]]>;
<![CDATA[Syahputra, Havidh Ardika]]>;
<![CDATA[Imelda, Imelda]]>;
<![CDATA[Winasis, Siti]]>
<![CDATA[ Molekul Vol 20 No 1 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.1.12918
<![CDATA[ABSTRACT. Cultivation of hard-lipped barb (Osteochilus vittatus) increased in the district of Banyumas, Indonesia. Supplementation Spirulina platensis and Chlorella vulgaris has lots utilized in field aquaculture as high nutritious food to increase fish production. Evaluation digestibility to S. platensis and C. vulgaris in hard-lipped barb fish can done with measurement composition body and activity enzyme digestion. The purpose of this study was to know the influence of supplementation of S. platensis and C. vulgaris and to find the most appropriate composition of supplementation to enhance body composition and digestive enzyme activity of hard-lipped barb. The study was conducted experimentally with completely randomized design (CRD) and consisting of five Treatments: P0 = without supplementation as control; P1 = S. platensis 6 g.kg-1; P2 = C. vulgaris 4 g.kg-1; P3 = ( S. platensis 3 g + C. vulgaris 2 g).kg-1; and P4 = ( S. platensis 2 g + C. vulgaris 3 g).kg-1, in four replicates. The results showed S. platensis and C. vulgaris increase hard-lipped barb protein, fat and fiber levels. C. vulgaris and combinations of S. platensis + C. vulgaris enhance activity trypsin-like, lipase, amylase, and alkaline phosphatase in foregut, hindgut, and hepatopancreas. C. vulgaris and S. platensis can be given as supplement of hard-lipped barb feed to enhance enzyme activity that contributing digestion to enhance body composition. Keywords: body composition, Chlorella vulgaris, enzyme, Osteochilus vittatus, Spirulina platensis]]>
