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[In situ Measurement of Phosphate using Fe3O4/Chelex®100-Agarose-Oxalic Acid Hydrogel in Diffusive Gradient in Thin Films ]]>
<![CDATA[Dinira, Layta]]>;
<![CDATA[Rumhayati, Barlah]]>;
<![CDATA[Mardiana, Diah]]>;
<![CDATA[Andayani, Ulfa]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.11199
<![CDATA[ABSTRACT. This study would be the first to develop a novel combination of Chelex®100 and Fe3O4 as a mixed binding gel for in situ phosphate measurement employing Diffusive Gradient in Thin Films (DGT). Fe3O4 and Chelex®100 were utilized as binding agents within a single binding layer for phosphate measurements in laboratory and natural water settings. The synthesized Fe3O4 was identified as magnetite and consisted of micro-sized particles. The pore size of the mixed binding gel ranged from 22.39 to 112.5 µm. Incorporating Chelex®100 with Fe3O4 in oxalic acid cross-linked agarose did not diminish phosphate adsorption efficiency. As adsorption time and phosphate concentration in solution increased, the quantity of adsorbed phosphate in the mixed binding gel also increased. Optimal phosphate elution was achieved using a basic solution, with a phosphate elution efficiency of 95.3 ± 0.4% observed with 0.4 M NaOH. The diffusion coefficient measured using the mixed binding gel was 1.08 times greater than that of polyacrylamide cross-linked with an agarose derivative (APA) gel, typically employed in the DGT technique. Phosphate concentration measurement with Fe3O4/Chelex®100-agarose oxalic acid in a DGT passive sampler at pH 4-8 yielded values twice those in bulk solution. Similar results were obtained when measuring phosphate in a 0.01 – 0.1 M NaNO3 solution. A T-test showed that the phosphate concentration obtained from mixed binding layer-DGT as an alternate passive sampler was not significantly different from grab sampling. This study underscores the suitability of Fe3O4-Chelex®100 impregnated in agarose-oxalic acid gel for monitoring phosphate in natural water via DGT. Keywords: Agarose, diffusive gradient in thin films, mixed binding gel Fe3O4, oxalic acid.]]>
<![CDATA[Approximate Solution to the Schrödinger Equation of Exotic Doubly Muonic Helium-like Systems Using Hydrogenic-based Matrix Mechanics ]]>
<![CDATA[Pingak, Redi Kristian]]>;
<![CDATA[Jacob, Johanes Eliaser]]>;
<![CDATA[Bernandus, Bernandus]]>;
<![CDATA[Johannes, Albert Zicko]]>;
<![CDATA[Setiawan, Ely]]>
<![CDATA[ Molekul Vol 19 No 1 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.1.11224
<![CDATA[The approximate solution to the Schrödinger equation of exotic doubly muonic helium-like systems has been obtained using a simple matrix method based on hydrogenic s-states. Each system considered consists of a positively charged nucleus surrounded by 2 negatively charged muons XZ+μ-μ- (2 Z 36). The present work aims to obtain approximate ground-state energies of the systems and to decompose the energies in terms of the basis states used. Here, the wave function was expressed as a linear combination of 15 eigenfunctions, each written as the product of two hydrogenic s-states. The elements of the Hamiltonian matrix were calculated and finally, the energy eigenvalue equation was numerically solved to obtain the ground-state energies of the systems with their corresponding eigenvectors. From the results, ground-state energies of all systems were in agreement with others from the literature, with percentage differences between 0.03% and 2.05%. The analysis of the probability amplitudes from the eigenvectors showed that the 1s1s state made the largest contribution to the ground state energies of the systems, approaching 90.99%, 96.98% and 98.54% for He2+μ-μ- , Li3+μ-μ- , and Be4+μ-μ- , respectively. Keywords: Doubly muonic helium-like systems, ground state energy, hydrogenic basis states, matrix mechanics, Schrödinger equation]]>
<![CDATA[Investigation into the Phytochemical Profiles, Antibacterial and Antioxidant Potentials of Toona sinensis Stem Bark Part ]]>
<![CDATA[Santoni, Adlis]]>;
<![CDATA[Efdi, Mai]]>;
<![CDATA[Salim, Emil]]>
<![CDATA[ Molekul Vol 19 No 3 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.3.6434
<![CDATA[Toona sinensis has been used as a traditional medicine to treat diarrhea, dysentery, and fever. In the present study, the stem bark extracts of T. sinensis were investigated to determine the antibacterial activity, total phenolic content, 2,2-diphenyl-1-picrylhydrazyl radical scavenging activity, and chemical constituent using gradual extraction by maceration method with hexane, ethyl acetate, and methanol respectively. In vitro, antibacterial activity was evaluated against Staphylococcus aureus and Escherichia coli by agar well diffusion method. The hexane fraction was more sensitive to S. aureus and the ethyl acetate and methanol fractions were more sensitive to E. coli. The methanol extract showed the highest total phenolic content and antioxidant activity. Phytochemically, Toona sinensis stem bark extract contained phenolic, flavonoid, steroid, triterpenoid, and coumarin. Investigation of ethyl acetate extract produced 5,7,3',4'-tetrahydroxyflavan-3-ol (catechin). Keywords: Antibacterial, antioxidant, catechin, Toona sinensis, total phenolic content]]>
<![CDATA[Docking-Based Virtual Screening to Identify the Cysteine Protease Falcipain-2 Inhibitors of Plasmodium falciparum ]]>
<![CDATA[Darmin, Wa Ode Yentri Putia Ningtiyas]]>;
<![CDATA[Arfan, Arfan]]>;
<![CDATA[Ruslin, Ruslin]]>;
<![CDATA[Wu, Chun]]>;
<![CDATA[Arba, Muhammad]]>
<![CDATA[ Molekul Vol 19 No 3 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.3.7376
<![CDATA[Malaria is an infectious disease caused by Plasmodium protozoan parasites that transmit via the female Anopheles sp. mosquito. Plasmodium falciparum, Plasmodium vivax, Plasmodium ovale, Plasmodium malariae, and Plasmodium knowlesi are the five Plasmodium species known to infect humans. P. falciparum is the most virulent species, causing the most deaths worldwide. The decrease in efficacy of most antimalarials suggests drug resistance. Therefore, the development of new effective antimalarials, particularly against novel targets, was still required. Cysteine protease falcipain-2 (CPF-2) plays a role in hemoglobin degradation; therefore, inhibiting the activity of this enzyme could be a viable antimalarial target. This study aimed to identify a potential inhibitor for the CPF-2 with PDB ID 3BPF from the ZINC15 database for treating malaria. This study employs a virtual screening workflow with HTVS, SP, and XP docking methods on the Glide Maestro Schrodinger. Based on the glide XP docking score, 10 hit compounds were identified, and their conformational interactions with CPF-2 were compared to the natural ligand (E-64). The binding energy values of hit compounds vary from -7.131 kcal/mol to -8.074 kcal/mol, which is more negative than the E-64 (-6.011 kcal/mol). The three best compounds identified from the ZINC15 database are ZINC000025691540, ZINC000096436101, and ZINC000097797430. All the hit compounds discovered similar interaction with E-64, specifically on the CPF-2 binding pocket residues with Gln36, Cys42, Gly83, Asn173, and His174. All hit compounds exhibit suitable Lipinski rule profiles and are potentially evaluated experimentally as CPF-2 enzyme inhibitor candidates. Keywords: cysteine protease falcipain-2, malaria, molecular docking, Plasmodium falciparum, virtual screening]]>
<![CDATA[Synthesis of Polyethylene Glycol Esters from Oleic, Stearic, and Palmitic Acids as a Pour Point Depressant (PPD) ]]>
<![CDATA[Berghuis, Nila Tanyela]]>;
<![CDATA[Panjaitan, Deva Yani]]>;
<![CDATA[Permana, Astra Agus]]>;
<![CDATA[Budiarto, Osiliana]]>
<![CDATA[ Molekul Vol 19 No 3 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.3.8484
<![CDATA[Polyethylene glycol (PEG) ester is a non ionic surfactant compound that could use a pour point depressant (PPD) for crude oil. Synthesis of PEG-ester with reflux and mono wave-50 methods through esterification fatty acid such as oleic acid, stearic acid, and palmitic acid with adding p-toluene sulfonic acid (p-TSA) as a catalyst. The product of esterification could be a mixture of monoester and diester. Synthesized PEG ester by reflux method resulted in higher yield than by mono wave-50 method. IR spectra analysis of PEG400-oleate, PEG400-stearate, and PEG400-palmitate show the presence of an absorption band at a wavenumber of around 1100 cm-1 that indicates the stretching vibration of the C-O ester. (LC-MS/MS) analysis that shows the molecular weight of PEG400-oleate was 845.6154 g/mol and, PEG400-stearate was 785.5952 g/mol. Mean, while PEG400-palmitate produced three ester compounds with different molecular weights: 741.5669 g/mol, 685.5057 g/mol, and 734.5208 g/mol. The pour point measurement results show that the PEG-fatty acid product in the range of 0.1% to 1% has not been able to reduce the pour point of the crude oil sample. Keywords: Esterification, FTIR, LC-MS/MS, Surfactant]]>
<![CDATA[Activated Charcoal Magnetic Composite from Jengkol Peels as An Efficient Adsorbent for Aquatic Antibiotic Removal: An in Vitro Study ]]>
<![CDATA[Wardani, Gatut Ari]]>;
<![CDATA[Nurhidah, Mia]]>;
<![CDATA[Wulandari, Winda Trisna]]>;
<![CDATA[Nofiyanti, Estin]]>;
<![CDATA[Syahputra, Ricky Andi]]>;
<![CDATA[Indra, Indra]]>
<![CDATA[ Molekul Vol 19 No 3 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.3.8521
<![CDATA[Antibiotic resistance has become a global issue that is quite worrying because it can threaten the survival of living things, especially humans. This resistance can occur due to the inappropriate use of antibiotics by the community. This study aims to determine the ability of activated charcoal magnetic composites (ACMC) to adsorb tetracycline hydrochloride compounds. Samples were obtained from jengkol peel waste which was charred and activated using acid and the addition of magnetic properties. The more PbFe2O4 added to activated charcoal, the greater the magnetic properties, surface area, pore-volume, and pore radius. The results showed that a type of IV adsorption isotherm which is a characteristic of mesoporous materials with a pore size of 2.0892 nm. The addition of magnetic properties to activated charcoal increase 29.33% the amount of tetracycline that is adsorbed by the adsorbent with optimal absorption in alkaline conditions. The adsorption process followed the adsorption kinetics of Ho and the Freundlich adsorption isotherm with an adsorption capacity of 76.3359 mg/g. ACMC material can potentially be one of the adsorbents that can reduce contamination of tetracycline hydrochloride antibiotics in the aquatic environment so that antimicrobial resistance can be minimized. Keyword: acidity, agricultural waste, carbonization, functional Group, VSM analysis]]>
<![CDATA[Antioxidant Release Profile from Chitosan/ĸ-Carrageenan-based Polyelectrolyte Complex Films as Active Packaging: A Preliminary Study ]]>
<![CDATA[Rahmasari, Khusna Santika]]>;
<![CDATA[Ishartono, Bayu]]>
<![CDATA[ Molekul Vol 19 No 3 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.3.8784
<![CDATA[Significant efforts are necessary to prevent the spoilage of fatty acid-rich foods as a result of lipid oxidation. Active packaging is a technology that employs packaging films containing antioxidants to increase the stability of perishable foods susceptible to oxidation. This preliminary study aimed to incorporate tannic acid (TA) into a chitosan/κ-carrageenan (Chit/κ-Car)-based polyelectrolyte complex (PEC) films and evaluate their antioxidant release profile. The composition of Chit/κ-Car, glycerol (gly), and TA in PEC films were also investigated in this preliminary study as factors influencing the mechanical properties of films and the antioxidant release profile. The prepared PEC films were identified by an FTIR spectrometer and examined through a mechanical property test. The DPPH method was used to assess the antioxidant property of the Chit/κ-Car-based PEC films. The infrared spectra revealed that PEC films were formed through the interaction between ꟷNH3+ of Chit and ꟷOSO3ꟷ of κ-Car. Increasing the κ-Car and TA compositions in the PEC films increased the tensile strength (TS) and water absorption capacity (WAC), but decreased the elongation (E). The release profile of TA from PEC films followed the Korsmeyer-Peppas model through the Fickian diffusion mechanism with n < 0.5. The antioxidant activity test of PEC films using the 1,1-diphenyl-2-picrylhydrazyl (DPPH) method revealed high antioxidant activity with radical scavenging activity (RSA) values up to 95.04%. As a result, the Chit/κ-Car-based PEC films have the potential to be developed as active packaging. Keywords: Active packaging, antioxidant, Chit/κ-Car-based PEC films, release profile, TA]]>
<![CDATA[LC-MS Based Metabolite Profiling of Ethanol Extract From the Sungkai (Peronema canescens Jack) and In Silico Prediction of Antidiabetic Activity With α-Glucosidase ]]>
<![CDATA[Latief, Madyawati]]>;
<![CDATA[Arum, Dewi]]>;
<![CDATA[Nurjannah, Sofia]]>;
<![CDATA[Tarigan, Indra Lasmana]]>;
<![CDATA[Khatib, Alfi]]>;
<![CDATA[Yusnaidar, Yusnaidar]]>
<![CDATA[ Molekul Vol 19 No 3 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.3.8806
<![CDATA[Sungkai (Peronema canescens Jack) is a medicinal plant in the Verbenaceae family that is known to have antidiabetic activity. The secondary metabolite content found in sungkai leaves is in the form of alkaloids, flavonoids, triterpenoids, steroids, phenolics, and saponins. This research aimed to identify the biological activity of compounds in sungkai plants as antidiabetic agents using α-glucosidase inhibitors in silico. Sungkai leaf extract with ethanol solvent was identified using a Liquid Chromatography Mass Spectrometer (LC-MS/MS). There are 15 compounds resulting from LC-MS/MS analysis which will then predict antidiabetic activity using molecular docking. Molecular docking was carried out using AutoDock Tools software and visualized with Discovery Studio. The highest scoring result obtained from the molecular docking test was the compound C13H23N6S with a free bond energy result of -7.31 and an inhibition constant value of 4.41 μM, which binds three hydrogen bonds in GLU 78, ALA 75, and GLU 198. Keywords: In sillico, metabolite profilling, Peronema canescens]]>
<![CDATA[Chemical Composition and Antibacterial Activity of Plumeria alba L., Polianthes tuberosa L., and Cananga ordorata L. Flowers Essential Oils as Bioadditives in Transparent Solid Bath Soap ]]>
<![CDATA[Ariani, Sri Retno Dwi]]>;
<![CDATA[Mitsalina, Aufa Vib]]>;
<![CDATA[Wathon, Muhammad Hizbul]]>
<![CDATA[ Molekul Vol 19 No 3 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.3.10280
<![CDATA[This study aimed to analyze the chemical components and antibacterial activity of essential oils from kamboja (Plumeria alba L.), sedap malam (Polianthes tuberosa L.), and kenanga (Cananga ordorata L.) flowers against Staphylococcus aureus ATTC 25923. Additionally, the study explored the application of these essential oils as bio additives in transparent solid bath soap. The research consisted of several stages: isolation and identification of chemical components of essential oils using the GC-MS Method, transparent solid bath soap formulation, antibacterial activity test of essential oils and transparent solid bath soaps against Staphylococcus aureus ATTC 25923, organoleptic test (color, aroma, transparency, solidity, and foam) and quality test of transparent solid bath soaps (pH, water content, foam stability, saponification number, and transparency). The essential oils extracted from kamboja, sedap malam, and kenanga flowers were found to contain 17, 20, and 20 compounds, respectively. Based on the result of GC-MS analysis showed that the predominant chemical components in each essential oil were 1,1’-oxydi-2-propanol (21.01%) for kamboja, benzyl ethanoate (24.52%) for sedap malam, and caryophyllene (43.77%) for kenanga. Transparent solid bath soaps with the highest antibacterial activity against S. aureus ATTC 25923 were obtained in the formula added with kamboja, sedap malam and kenanga flowers essential oils at 3.0%, 3.0%, and 3.0%, respectively, with respective inhibitory power of 14.48 mm (strong), 13.73 mm (strong) and 13.56 mm (strong) in diameter. Organoleptic tests revealed that each soap type exhibited characteristic of the respective flower. All soap types demonstrated good quality based on parameters such as pH, water content, foam stability, saponification number and transparency. Keywords: Cananga ordorata L., essential oil, Plumeria alba L., Polianthes tuberosa L., transparent solid bath soap]]>
<![CDATA[A Preparation and Characterization of Chitosan-Silica Membranes and Applications for Creatinine and Urea Transport ]]>
<![CDATA[Ayuni, Ni Putu Sri]]>;
<![CDATA[Yuningrat, Ni Wayan]]>;
<![CDATA[Panjaitan, Yuyunda Sari]]>
<![CDATA[ Molekul Vol 19 No 3 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.3.10436
<![CDATA[The main organ that of the urinary system after the main organ functions to filter waste products from the body's metabolism that must be removed through the excretion process is the kidneys. The remaining metabolite compounds that accumulate in the blood are caused by the kidneys being unable to filter and remove uremia toxin compounds such as urea and creatinine from the body. One indication of kidney damage can be seen from levels of creatinine and urea in the blood that exceed normal limits. Urea and creatinine levels can be lowered by improving kidney function, namely by the blood washing process (hemodialysis). In the hemodialysis technique, the price of an artificial kidney or hemodialyzer is very expensive so that kidney failure sufferers require very large costs for treatment. To overcome this problem, alternative natural materials are needed to make membrane artificial kidneys. The aim of the research is (1) to analyze the synthesis and characteristics of membranes and, (2) to apply them for the transport of creatinine and urea using silica chitosan membranes. Characterization includes functional group testing using an Fourier-Transform Infrared (FTIR) spectrophotometer, water absorption test (swelling test), tensile test, and morphology with Scanning Electron Microscope (SEM). The membranes were applied for creatinine transport with varying concentrations of 70, 100, and 130 mg/L. It was also used for transporting urea at various concentrations of 500, 1000, and 1500 mg/L. This study disclosed a window of opportunity to produce novel hemodialysis membranes using bio-based materials. Keywords: Biocompatibility, chitosan, creatinine, hemodialysis, membrane, silica, urea]]>
