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[In Silico and In Vivo Studies of Carboxymethyl Cellulose Based Hydrogels from Cassava Stem and Young Papaya Seed Extract for Diabetic Wounds ]]>
<![CDATA[Rahmawati, Risma]]>;
<![CDATA[Lestari, Annisa Firda]]>;
<![CDATA[Anggraini, Putri Regita]]>;
<![CDATA[Safitri, Rahmadita Irma]]>;
<![CDATA[A'yunin, Alfi Rizki]]>;
<![CDATA[Firdaus, Maulidan]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.7286
<![CDATA[ABSTRACT. Diabetic chronic wound care remains a global challenge due to higher rates of infection leading to amputations and death. The development of wound dressing materials with good biocompatibility, adequate mechanical strength, high absorption, and anti-inflammatory and antibacterial properties are criteria for ideal wound dressings in clinical applications. This study aimed to prepare hydrogel plasters based on carboxymethyl cellulose (CMC) from cassava stems (Manihot esculenta C.) with the addition of an active substance from young papaya seeds (Carica papaya L.) for diabetic wound healing. The methods used included CMC synthesis, extraction of young papaya seeds, preparation of nanoparticles, hydrogel optimization using Response Surface Methodology (RSM), in silico study, and in vivo tests. All products for each stage were characterized by FTIR and XRD. Hydrogels were characterized by testing pH, organoleptic, swelling ratio, gel fraction, biodegradability, FTIR, and SEM. The results of RSM optimization obtained hydrogel with the formula Na-CMC 3%, citric acid 2%, and stirring temperature 70. Based on the in-silico test results, the apigenin compound has the lowest binding energy, namely -9.4 kcal/mol, so it has the potential to heal diabetic wounds by triggering angiogenesis through the VEGFR2 signal. In vivo test results showed that the hydrogel with the addition of young papaya seed extract had the fastest wound healing rate compared to other treatments, marked by 100% wound closure on the 10th day. Keywords: carboxymethyl cellulose, cassava stem, diabetes wound, hydrogel, young papaya seeds.]]>
<![CDATA[The Comparison of Tannin Fractions in Calliandra calothyrsus Leaves Utilizing Butanol-HCl4 and Protein-Precipitation Methods ]]>
<![CDATA[Subagyo, Yusuf]]>;
<![CDATA[Sumaryadi, Mas Yedi]]>;
<![CDATA[Ifani, Merryafinola]]>;
<![CDATA[Widodo, Hermawan Setyo]]>;
<![CDATA[Yusan, Rizak Tiara]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.8636
<![CDATA[ABSTRACT. Butanol-HCl4 (Bu-HCl4) and Protein-Precipitation (P-P) are methods that proposed to determine the content of free tannins, protein-bound tannins, and fiber-bound tannins. This study aims to determine the feasibility of tannin measurements by both methods and validation of Analytical Methods (VMA) evaluates specific parameters like accuracy, precision, specificity, and linearity through lab testing. The material used was twenty C. calothyrsus leaves which collected randomly from different trees. The samples were measured by both methods in triplicates for qantification and validation. The obtained data were analyzed by descriptive and t-test to compare both methods. The analysis of VMA shows that the P-P method yields higher accuracy compared to the Bu-HCl method in percentage recovery rates. The quantification of free tannins, protein-bound tannin, tannin fiber, and total tannin by the Bu-HCl4 method versus the P-P method showed significantly higher values (p<0.01) for the Bu-HCl4 method: free tannins (13.44±0.54 vs. 7.11±0.16), protein-bound tannin (2.80±0.44 vs. 1.52±0.20), tannin fiber (5.20±0.45 vs. 1.00±0.21), and total tannin (21.50±0.88 vs. 9.59±0.36). The methode validation result of Bu-HCl4 and P-P methods in the accuracy was different, but the linearity test showed a good response. In conclusion, the tannin quantivication by the P-P and Bu-HCl4 can be applied for C. calothyrsus analysis. The total tannin content was higher if quantified by the Bu-HCl4 method compared to P-P. The accuracy of the P-P found higher than the Bu-HCl4 method. Keywords: Butanol-HCl4, leaves C. calothyrsus, protein-precipitation methods, tannin.]]>
<![CDATA[Synthesis and Characterization of A Fascinating Coordination Polymer Metal-Organic Framework Featuring Cobalt (II) and 4,4'-Bipyridine ]]>
<![CDATA[Kurniawan, Cepi]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.9199
<![CDATA[ABSTRACT. This investigation delineates the fabrication, comprehensive characterization, and electrochemical evaluation of a one-dimensional Cobalt-based Metal-Organic Framework (Co-MOFs), constructed from 4,4’-Bipyridine ligands and Cobalt (II) ions. The study aimed to perfect the synthesis protocol, elucidate the structural and compositional attributes of the resultant MOF, and probe its electrochemical performance. Utilizing the reflux method, renowned for its efficacy and eco-compatibility, we synthesized the MOF and affirmed its formation through a suite of analytical techniques, including Infrared (IR) spectroscopy, Ultraviolet-Visible (UV-Vis) spectroscopy, Atomic Absorption Spectroscopy (AAS), and electrical conductivity measurements. The synthesized Co-MOFs, chemically notated as [Co2(4,4'-bpy)2(SO4)(H2O)2]SO4·H2O, manifested as a one-dimensional coordination polymer. X-ray Diffraction (XRD) analysis unveiled its monoclinic crystallinity within the C2 space group. Electrochemical characterization uncovered a reversible redox system, evidenced by a robust peak current ratio (IPa/IPc = 7.5), indicative of efficient electron transfer processes. Furthermore, the Co-MOFs significantly augmented the kinetics of the oxygen evolution reaction (OER) in an alkaline aqueous solution, highlighting its potential as a superior catalyst in energy-related electrochemical applications. This work not only contributes to the field of MOF synthesis but also sets the stage for future explorations into their practical applications in sustainable energy systems. Keywords: Electrochemical properties, metal-organic framework, oxigen evolution reaction catalyst, 4,4’-bipyridine.]]>
<![CDATA[Triterpenoids From Swietenia mahagoni L Jacq. and Their Cytotoxic Activity against MCF-7 Breast Cancer and CV-1 Normal Kidney Cell Lines ]]>
<![CDATA[Supratman, Unang]]>;
<![CDATA[Abdullah, Fajar Fauzi]]>;
<![CDATA[Farabi, Kindi]]>;
<![CDATA[Nurlelasari, Nurlelasari]]>;
<![CDATA[Awang, Khalijah]]>;
<![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.2024.19.2.9358
<![CDATA[ABSTRACT. Triterpenoid is a group of natural products with various remarkable activities, including cytotoxic. One of the sources for this type of compounds is Swietenia genus belong to Meliaceae family. This genus known to contains various secondary metabolites including limonoids, flavonoids, and triterpenoids. Especially for triterpenoid, there is limited report on isolation as well as biological activity from Swietenia genus, such as Swietenia mahagoni. In this research, three triterpenoid compounds have been successively isolated and identified from n-hexane extract, namely, (-)-leucophyllone (1), toonaciliatavarin E (2), and moronic acid (3). All isolated were assed against MCF-7 breast cancer and CV-1 normal kidney cell lines. The result showed that only moronic acid (3) performed moderate activity against two cells with IC50 of 63.10 and 48.04 µM, respectively. The other isolated compounds (1 and 2) showed weak cytotoxicity with IC50 > 500 µM. Based on preliminary structure activity relationship, revealed that pentacyclic triterpenoid (moronic acid, 3) showed stronger cytotoxicity compare with tetracyclic triterpenoids (-)-leucophyllone (1) and toonaciliatavarin E (2). Keyword: Cytotoxicity, MCF-7 and CV-1, Switennia mahagoni, Triterpenoids.]]>
<![CDATA[Antibacterial Test of The Essential Oil Fractions of Citronella (Cymbopogon nardus L.) Against Escherichia coli and Application as Hand Sanitizer Formulation ]]>
<![CDATA[Rastuti, Undri]]>;
<![CDATA[Lestari, Puji]]>;
<![CDATA[Hidayatullah, Rafly]]>;
<![CDATA[Habibie, Ranti Kamila]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.9773
<![CDATA[ABSTRACT. Hand sanitizer is an essential item during the COVID-19 pandemic, posing potential side effects when containing synthetic ingredients. Therefore, this study aimed to replace hand sanitizer formulation with Citronella essential oil (Cymbopogon nardus L.). Essential oil was fractioned into 3 components, namely F1 (67.07% of limonene), F2 (92.39% of citronellal), and F3 (62.41% of geraniol) while evaluation was conducted on antibacterial properties against E. coli. Antibacterial test was performed using the well diffusion method, showing inhibition zone diameters of 7.40, 10.76, and 8.30 mm for F1 to F3 fractions, respectively. The results showed that F2, selected as the reference for hand sanitizer formulation, had the most potential antibacterial activity and a MIC of 3.125%. Comparative test with commercial alternatives, including hedonic, characteristic, and antibacterial activity test, were conducted to assess the formulated hand sanitizer. F2 was discovered to have an inhibition zone diameter of 29.56 mm as opposed to 9.06 mm of commercial hand sanitizer. Based on hendonic test, hand sanitizer formulated with citronella oil had a distinct smell, which was less preferred than lime fragrance. Keywords: Antibacterial, Escherichia coli, and sanitizer, citronella essential oil.]]>
<![CDATA[Sesquiterpenoids from The Stem Bark of Aglaia cucullata (Meliaceae) and Their Cytotoxic Activity Against A549 Lung Cancer Cell Lines ]]>
<![CDATA[Mustaqim, Iqbal Wahyu]]>;
<![CDATA[Harneti, Desi]]>;
<![CDATA[Naini, Al Arofatus]]>;
<![CDATA[Hilmayanti, Erina]]>;
<![CDATA[Darwati, Darwati]]>;
<![CDATA[Nurlelasari, Nurlelasari]]>;
<![CDATA[Mayanti, Tri]]>;
<![CDATA[Maharani, Rani]]>;
<![CDATA[Farabi, Kindi]]>;
<![CDATA[Hidayat, Ace Tatang]]>;
<![CDATA[Supratman, Unang]]>;
<![CDATA[Fajriah, Sofa]]>;
<![CDATA[Azmi, Mohamad Nurul]]>;
<![CDATA[Shiono, Yoshihito]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.9823
<![CDATA[ABSTRACT. Sesquiterpenoids are a class of terpenoid compounds with a remarkable diversity of structures and biological activities. Sesquiterpenoids are primarily found in higher plants, such as the Meliaceae family's Aglaia genus. Aglaia cucullata is a species of Aglaia that is still rarely explored and can potentially contain sesquiterpenoid compounds with cytotoxic activity. Hence, the research intended to isolate sesquiterpenoids from the n-hexane extract of A. cucullata stem bark and evaluate their cytotoxic effect against A549 lung cancer cells. Compounds 1 and 2 were isolated and purified from n-hexane extracts utilizing various chromatographic techniques. The structure of compounds 1 and 2 was determined by analyzing various spectroscopic methods (IR, MS, and NMR) and comparing them to previously reported spectral data. Compound 1 was identified as an isodaucane-type sesquiterpenoid, 10-hydroxy-6,10-epoxy-7(14)-isodaucane, and was first reported in Meliaceae family. Compound 2 was confirmed as an eudesmane-type sesquiterpenoid, eudesm-4(15)-ene-1β,6α-dihydroxy, and was first reported in Aglaia cucullata. Cytotoxic activity of 1 and 2 were investigated in vitro against A549 lung cancer cells using the PrestoBlue assay and resulted in inactive and low cytotoxicity with IC50 values of 292.77 and 90.55 μM, respectively. Key words: Aglaia cucullata, , A549 cell lines, cytotoxic activity, Meliaceae, sesquiterpenoids.]]>
<![CDATA[Fluorescent Turn-off Probe of Ni2+ Based Nitrogen-Doped Carbon Dots ]]>
<![CDATA[Kamali, SIti Raudhatul]]>;
<![CDATA[Chen, Chang-Nan]]>;
<![CDATA[Agrawal, Dinesh Chandra]]>;
<![CDATA[Wei, Tai-Huei]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.9964
<![CDATA[ABSTRACT: An effective and facile method of generating nitrogen-doped carbon dots (N-CD) by microwave irradiation is presented in this study. A precursor, succinic acid (SA), and a nitrogen source, bis-(3-aminopropyl)-amine (BAPA), were used to obtain N-CD. A precious quantum yield (QY) of 49.0% was obtained from the preparation of N-CD, which was well-soluble in water. The N-CD material was highly selective and sensitive for the detection of nickel ion (Ni2+), with a detection limit of 0.26 μM and a linear concentration range of 5-175 μM. The quenching of the N-CD by the presence of Ni2+ was referred to formation of complexes because of the interaction of Ni2+ on the N-CD. Hence, the proposed study has great promise regarding Ni2+ detection in broad applications. Keywords: Microwave, Ni2+, nitrogen-doped carbon dots.]]>
<![CDATA[2-Cinnamamido-4-Methylpentanamide and N-(2-Hydroxypropanoyl)Cinnamamide: Synthesis, Characterization, and Molecular Docking Studies Through PBP2a Protein ]]>
<![CDATA[Rasyid, Herlina]]>;
<![CDATA[Ernawati, Teni]]>;
<![CDATA[Monoarfa, Indah Muthmainnah]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.10154
<![CDATA[ABSTRACT. Cinnamic acid has been found in several types of plants and has a diverse spectrum of bioactivity. Derivatization of cinnamic acid related to the improving bioactivity of a compound. Cinnamic acid can be found as an acid or in conjugated form with amides, esters, aldehydes. This research focus on the synthesis of amide derivatives of cinnamic acid to improve the bioactivity. Two compounds namely 2-cinnamamido-4-methylpentanamide (1a) and N-(2-hydroxypropanoyl)cinnamamide (1b) were carried out through amidation reaction using carbodiimide coupling reagent for 24 hours. The synthesized target compounds were characterized using FT-IR, GCMS-MS, 1H-NMR and 13C-NMR spectroscopy. The compounds were evaluated their antibacterial activity by molecular docking simulation against PBP2a (PDB ID: 1MWT) using AutoDock4 and AutoDockTools software. PBP2a is one of the main proteins in MRSA that has evolved to resist β-lactam antibiotics and was proposed to be the most likely target of MRSA. The inhibitory process of this protein works through inhibition of the bacterial cell wall. The synthesis process of 1a and 1b produced yields of 22.13% and 25.20%. Molecular docking results showed that 1a and 1b had better energy (ΔGbinding -7.33 and -6.29 kcal/mol) than Streptomycin as the control positive. The compounds of 1a and 1b had interactions on PBP2a through hydrogen bond with Asn464, Thr600, and Tyr519. This present study showed that the synthesized compounds from cinnamic acid derivatives have a potential to be used as antibacterial agents. Keywords: Amidation, antibacterial, 2-cinnamamido-4-methylpentanamide, molecular docking, N-(2-hydroxypropanoyl) cinnamamide.]]>
<![CDATA[Optimization of Hand Sanitizer Formulation with the Addition of Lemongrass (Cymbopogon citratus (DC.) Stapf) Essential Oil and a Combination of Essential Oils of Local Indonesian Empon-empon ]]>
<![CDATA[Ariani, Sri Retno Dwi]]>;
<![CDATA[Van Hayus, Elfi Susanti]]>;
<![CDATA[Mulyani, Sri]]>;
<![CDATA[Utomo, Suryadi Budi]]>;
<![CDATA[Wathon, Muhammad Hizbul]]>;
<![CDATA[Bilhaq, Natiq]]>;
<![CDATA[Pramesti, Anastasia Diaz]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.10186
<![CDATA[ABSTRACT: This research aimed to optimize the formulation of hand sanitizer by incorporating lemongrass (Cymbopogon citratus (DC.) Stapf) essential oil in combination with essential oils of local Indonesian empon-empon: temu giring (Curcuma heyneana Val. & van Zipj.), temu kunci (Kaempferia pandurata Roxb.), and temu mangga (Curcuma amada Roxb.). The optimization of hand sanitizer formulation was done based on several tests. The first was organoleptic test by observing the aroma, color, and form; the second was pH, homogeneity, and spreadability testing, and; the third was testing the antibacterial activities of each hand sanitizer formula against Escherichia coli ATCC 25922 and Staphylococcus aureus ATCC 25922. The research stages encompassed isolation of essential oils, formulation and evaluation of hand sanitizers, antibacterial activities test, optimization of hand sanitizer formulation, and identification of the chemical compounds in the hand sanitizer with the optimum formulation using the GC-MS method. The study resulted in the hand sanitizer with the optimum formulation containing the essential oils of lemongrass (3%) and temu giring (3%), demonstrating very strong antibacterial bioactivities against both E. coli ATCC 25922 and S. aureus ATCC 25923, with inhibition zones measuring 29.70 mm and 60.08 mm, respectively. This hand sanitizer had a distinctive aroma, combining the scents of lemongrass and temu giring. It was in liquid form, clear, and homogeneous, with pH and spreadibility values of 5.4 and 6.4 cm, respectively. The quality complied with SNI quality standards No. 06-2588. The primary active ingredients were E-citral (22.10%), Z-citral (17.88%), and 1,8-cineol (17.63%). Keywords: Essential oil, hand sanitizer, lemongrass, temu giring, temu kunci, temu mangga.]]>
<![CDATA[Silver Nanoparticle Biosynthesis using Distimake vitifolius Extract for Enhancement of Antibacterial and Antioxidant Activity ]]>
<![CDATA[Tahya, Candra Yulius]]>;
<![CDATA[Karnelasatri, Karnelasatri]]>;
<![CDATA[Irawati, Wahyu]]>;
<![CDATA[Munthe, Sri Wahyu Ningsih]]>
<![CDATA[ Molekul Vol 19 No 2 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.2.10295
<![CDATA[ABSTRACT. The biological method for silver nanoparticle synthesis emphasizes green synthesis, which is faster, environmentally safer, facile, energy-efficient, and cost-effective. It provides good alternatives to physical and chemical methods. In this research, we have synthesized silver nanoparticles using D. vitifolius ethanolic extract. The 38 natural compounds of flavonoid, phenolic or polyphenol compositions have been determined by LC-MS/MS-QTOF which is carried out using UNIFI software equipped with a mass spectrum library of active substances from natural ingredients from the Waters database. Silver nanoparticle (Dv-AgNP) was characterized by using TEM and SEM where the average diameter of nanoparticle was seen <100 nm and confirmed by PSA analysis that the Z-average is 62.73 ± 0.71 nm. EDS spectrum confirmed the silver element as a major element of the particles. PI value of Dv-AgNP is 0.557, while the zeta potential is -17.37 ± 1.53 mV. Dv-AgNP can inhibit the growth of P. aeruginosa (amoxicillin resistant) with an inhibition zone of 15.83 ± 2.36 mm, and K. pneumoniae with an inhibition zone is 10.03 ± 0.55 mm. These are moderate inhibitory activities. The antioxidant result of the Dv-AgNP suspension solution shows that the IC50 is 0.58 mM. The IC50 of the crude extract is 752 ppm and is categorized as very weak antioxidant activity. Keywords: Antibacterial; D. vitifolius; silver nanoparticle.]]>
