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[Does Divacancy Defect Combine with N,S-Codoping Enhance the Electronic Properties of Graphene to Its Interaction with K+ Ion? ]]>
<![CDATA[ Molekul Vol 18 No 1 (2023) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2023.18.1.7077
<![CDATA[Defects in graphene alter its structure, electrical characteristics, and interaction with K+ ions. The related characteristics of divacancy defect graphene and N, S codoped divacancy graphene were effectively explored using the DFTB technique. Divacancy is essential for the band gap opening. The dopants considerably enhance the density of state (DOS) intensity and alter the graphene-character bands. The depletion of density caused by the dopant is seen on the charge density isosurface. Because the charge of the K+ ion is balanced by the dopant, the ion prefers to be adsorbed on divacancy graphene with dopants.]]>
<![CDATA[Antibacterial Peptide from Chymotrypsin Hydrolysate of Jatropha Seeds with RP-HPLC Fractionation ]]>
<![CDATA[Andriana, Zehan]]>;
<![CDATA[Wahyuningsih, Tutik Dwi]]>;
<![CDATA[Raharjo, Tri Joko]]>
<![CDATA[ Molekul Vol 18 No 2 (2023) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2023.18.2.7080
<![CDATA[Antimicrobial peptide (AMP), as a new antibiotic agent, has promising prospects in overcoming the problem of resistance. AMP production can be carried out by proteolytic enzymes. Protein from castor bean (R. communis) is toxic, so it can potentially be a source of AMP. This study aims to obtain protein hydrolysate from the castor bean (R. communis) using several extraction methods, including SDS dialysis, SDS-gel filtration, trifluoroacetic acid (TFA), and acetone precipitation. Chymotrypsin enzyme was used to hydrolyze the protein, and the peptide hydrolysate was fractionated using RP-HPLC. The peptide fraction was tested for its antibacterial activity by agar diffusion and microdilution methods, and the most active fraction was identified for its amino acid sequence by LC-HRMS. The results showed that the acetone precipitation extraction method was the best method, with a degree of hydrolysis of 83.9%. The active fractions 6 and 10 of RP-HPLC had IC50 values of 14.1 and 14.5 µg/mL for E. coli and 13.3 and 14.4 µg/mL for S. aureus, respectively. NVLRGKGMASL peptides were found in fraction 10, and GIILLSSK, NMIAKR, and LLDILTKK peptides were found in fraction 6 with an alpha helix secondary structure that can cause membrane damage. The peptides NVLRGKGMASL, GIILLSSK, NMIAKR, and LLDILTKK are thought to have potential as antibacterial compounds.]]>
<![CDATA[Phytochemical Constituent and Cytotoxic Activity of Eusideroxylon zwageri Teijsm & Binn Extract and Sub-Fraction on Human Breast Cancer Cell Line T47D ]]>
<![CDATA[Kurniawan, Yayan Rabbani]]>;
<![CDATA[Santoni, Adlis]]>;
<![CDATA[Suryati, Suryati]]>
<![CDATA[ Molekul Vol 18 No 2 (2023) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2023.18.2.7112
<![CDATA[Eusideroxylon zwageri Teijsm. & Binn T has been reported to have bioactivity, one of which is the potential as an excellent cytotoxic agent using the BSLT method. So far, stage tests using cancer cells and analysis of the content of secondary metabolites have not been reported, Therefore, it is essential to analyze the content of secondary metabolites using Liquid Chromatography – Tandem Mass Spectrometry (LC-MS/MS) and determination of cytotoxic activity using Brine Shrimp Lethality Test (BLST) mwthod with various solvent polarities. Then separation by bioassay-guided isolation using column chromatography of the active extract assay BSLT. Furthermore, the cytotoxic activity of the active extract and the active isolate was tested against T47D cancer cells with Microculture Tetrazolium (MTT) method. The results of the analysis of the content of secondary metabolites using LC-MS/MS identified senbusine B and 6,7-Dehydroartemisinic acid on hexane extract, while the ethyl acetate extract produced 4 compounds, and 15 compounds were identified in the methanol extract. The results of the cytotoxic activity test using the BSLT method on each extract showed that the hexane extract was the most active, with an LC50 of 17.56 mg/L. Furthermore, the cytotoxic activity of hexane extract against T47D cells showed weak activity with an IC50 value of 237.5 mg/L, while the AB1 sub-fraction showed moderate activity with an IC50 value of 138.4 mg/L. The results of the analysis using HPLC indicated that the active isolate in the form of sub-fraction AB1 contained the compound senbusine B.]]>
<![CDATA[Enhanced Microwave Absorption Quality of Bio-Silica-Barium-Ferrite Composites: Interplay of Fe3+ and Si4+ ]]>
<![CDATA[Widanarto, Wahyu]]>;
<![CDATA[Effendi, Mukhtar]]>;
<![CDATA[Cahyanto, Wahyu Tri]]>;
<![CDATA[Ghoshal, Sib Krishna]]>;
<![CDATA[Kurniawan, Candra]]>;
<![CDATA[Handoko, Erfan]]>;
<![CDATA[Alaydrus, Mudrik]]>
<![CDATA[ Molekul Vol 18 No 2 (2023) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2023.18.2.7326
<![CDATA[This paper reports the improved microwave (MW) absorption characteristics of some newly prepared bio-silica-barium-ferrite composites (SBFCs) of the form (x)Bio-SiO2:(80-x)Fe2O3:(20) BaO (where x = 0, 2, and 4 wt.%). These composites were prepared using the modified solid-state reaction method with simultaneous sintering at 800 and 1100 °C. SBFCs were studied to determine the impact of various bio-silica concentrations on their morphology, structure, magnetic properties, permittivity, permeability, and X-band reflection loss. Various SBFC thicknesses were simulated to determine the reflection loss curves. It has been established that the MW absorption capacity of the examined SBFCs may be altered by adjusting the bio-silica concentration and sample thickness.]]>
<![CDATA[Effect of Annealing and Etching Times on Anatase TiO2 Hollow Sphere ]]>
<![CDATA[Rakhman, Khusna Arif]]>;
<![CDATA[Aprilita, Nurul Hidayat]]>;
<![CDATA[Kartini, Indriana]]>
<![CDATA[ Molekul Vol 18 No 2 (2023) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2023.18.2.7480
<![CDATA[The development of high-efficiency photocatalysts plays an important role in the application of solar energy conversion. Titanium dioxide (TiO2) with an anatase crystalline phase is well-known as semiconductor thin layers for solar cells. This work has constructed a novel TiO2 hollow sphere (HST) in a 2-step synthesis. The first step is coating the SiO2 template with TiO2 to build a core-shell of SiO2@TiO2 (CSST). The second step is etching via sonication to elute the SiO2 from CSST and construct the HST. The annealing of CSST for 1 to 6 hours and etching for 1 to 7 hours has resulted in the HST with different crystallite sizes and microstrains. The HST of ~90 nm has been fabricated with crystallite size of 9.53 to 20.54 nm and microstrain from 0.34 to 3.42. It was found that the optimum crystallite size and microstrain of HST obtained via annealing the CSST for 2 hours and etching for 5 hours has the best photooxidation of I- under UV irradiation. The optimum crystallite size and microstrain of HST via annealing and etching times can be recommended for the future of solar cell fabrication and applications.]]>
<![CDATA[Identification and Expression of cGnRH-II Gene in Three Strains Osphronemus gouramy (Soang, Jepun and Bluesafir) ]]>
<![CDATA[Rosita, Rita Eka]]>;
<![CDATA[Syakuri, Hamdan]]>;
<![CDATA[Nuryanto, Agus]]>;
<![CDATA[Hilmi, Endang]]>;
<![CDATA[Sukardi, Purnama]]>;
<![CDATA[Prayogo, Norman Arie]]>
<![CDATA[ Molekul Vol 18 No 2 (2023) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2023.18.2.7616
<![CDATA[Gouramy (Osphronemus gouramy) has very high economic value and is easy to cultivate. Currently there are about six strains that have been successfully cultivated based on their reproductive ability to produce eggs, namely goose (soang, goose gouramy), jepun (japan, japonica), blue sapphire, paris, bastar (broiler) and porcelain. One of the reasons for these differences in ability is internal factors which can be seen through the identification and expression of the cGnRH gene that each of these gouramy strains have. The cGnRH gene functions in signaling the pituitary gland to secrete the hormone GtH. This study aims to identify sequences and gene expression values resulting from three strains of gouramyat different age levels. The research method used was the exploration of three gouramy strains (soang, jepun, blue sapphire) at different age levels (4 months, 8 months, 12 months), and three gouramy strains were taken for each age level. This research was conducted through several stages, namely organ preparation, isolation, sequence identification and measurement of cGnRH gene expression. Sequence data was analyzed using phylogenetic trees and gene expression was analyzed using One Way ANOVA test. The sequence results showed that the soang strain had a sequence that was more similar to the jepun strain than the blue sapphire strain, and the resulting gene expression showed that the three gouramy strains with three different age levels did not give different results.]]>
<![CDATA[Cytotoxic Potential of Essential Oil Isolated from Clibadium Surinamese L Leaves Against T47D Breast and HeLa Cervical Cancer Cells ]]>
<![CDATA[Ulia, Rahmi Vika]]>;
<![CDATA[suryati, Suryati]]>;
<![CDATA[Santoni, Adlis]]>
<![CDATA[ Molekul Vol 18 No 2 (2023) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2023.18.2.7816
<![CDATA[Semambu (C. surinamense L) plant is a shrub plant that is easy to find. Several terpenoid compounds have been isolated from this plant, previous studies have shown cytotoxic activity of terpenoid class compounds. Terpenoid compounds in a plant are mostly found in essential oils (monoterpenes and sesquiterpenes). So far, there has been no report on the cytotoxic potential of essential oils from the leaves of this plant. It is necessary to isolate the essential oils from C. surinamense L leaves and test their cytotoxic potential. Isolation of essential oil of C. surinamense L leaves was carried out by hydrodistillation method, the oil was obtained in the form of a light yellow liquid with a specific gravity of 0.968 g/mL. Analysis of chemical components with Gas Chromatography-Mass-Spectrometry (GC-MS) through comparison of data from the National Institute of Standards and Technologies (NIST) found that there were 55 compounds (monoterpene and sesquiterpene groups) with six main compounds, namely β-caryophyllene (30.4%), β-sesquiphellandrene (8.46%), 3 carene (8.16%), α-bisabolene (4.05%), α-humulene (4.0%), and epi- bicyclosesquiphellandrene (4.0%). The potential cytotoxic test of essential oil from isolation showed highly cytotoxic activity with the Brine Shrimp Lethality Test (BSLT) method against Artemia salina L shrimp larvae with LC50 value of 0.9261 μg/mL and Microculture tetrazolium test (MTT) method against T47D breast cancer cells and HeLa cervix with IC50 values of 12.72 μg/mL and 30.14 μg/mL.]]>
<![CDATA[Virtual Screening of Natural Compounds Against Six Protein Receptors Coded by The SARS-CoV-2 Genome ]]>
<![CDATA[Fikry Awaluddin]]>;
<![CDATA[Irmanida Batubara]]>;
<![CDATA[Setyanto Tri Wahyudi]]>
<![CDATA[ Molekul Vol 18 No 1 (2023) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2023.18.1.7884
<![CDATA[Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is the virus that causes Coronavirus 2019 (COVID-19). To date, there has been no proven effective drug for the treatment or prevention of COVID-19. A study on developing inhibitors for this virus is carried out using molecular docking simulation methods. 3CL-Pro, PL-Pro, Helicase, N, E, and M protein were used as protein targets. Autodock Vina, Autodock 4.2, and PSOVina were used in this study. This study aims to obtain a model of ligands interactions of active natural compounds against the receptor protein encoded by the SARS-CoV-2 genome and their free binding energy to propose active compounds from natural products that have potential as a drug for COVID-19. Corilagin (-14,42 kcal/mol), Scutellarein 7-rutinoside (-13,2 kcal/mol), Genistein 7-O-glucuronide (-10,52 kcal/mol), Biflavonoid-flavone base + 3O (-11,88 and -9,61 kcal/mol), and Enoxolone (-6,96 kcal/mol) has the best free energy value at each protein target indicating that the compound has the potential as a viral protein inhibitor for further investigation. This research is limited to computer simulations, where the results obtained are still a prediction.]]>
<![CDATA[Fatty Acid Profile and Squalene Content in Cucumber Seed Oil (Cucumis sativus) ]]>
<![CDATA[Soetjipto, Hartati]]>;
<![CDATA[Febriyanti, Teresa]]>;
<![CDATA[Kristijanto, Agus Ign.]]>
<![CDATA[ Molekul Vol 18 No 2 (2023) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2023.18.2.8107
<![CDATA[Cucurbitaceae is known as a source of vegetable oil that can be used in the fields of food, medicine, and cosmetics. Several studies showed that vegetable oil from the Cucurbitaceae contains squalene. Squalene is a high-economic value compound that was originally found in shark liver oil. This compound is proven to be very beneficial for health and cosmetics. The objectives of the study are to determine the fatty acid profile and squalene content of cucumber seed oil using the Gas Chromatography-Mass Spectrometry (GC-MS) method. Starting with the preparation of cucumber seeds by drying the clean seed in an oven at 60 0C for 1 hour, then the seeds were extracted using 2 methods namely maceration and a continuous extraction method with a soxhlet extractor. The yield of crude oil obtained by the soxhlet extractor is higher than maceration, which was 19.38 ± 0.94%, yellow colour, and distinct aroma, 2% water oil content; oil density of 0.96 g/mL; free fatty acid levels of 3.51%; an acid value of 4.97 mg NaOH/g oil; and peroxide value of 0.82 meq O2/g oil. The results of the GC-MS analysis showed that cucumber oil was composed of 3 main components namely palmitic acid, linoleic acid, and squalene. Keywords: Cucumber seed oil, Cucumis sativus, fatty acids, squalene.]]>
<![CDATA[Photodegradation and Photoelectrodegradation of Methyl Orange and Methyl Violet Dyes using Graphite/PbTiO3 Composite under Visible Light Irradiation ]]>
<![CDATA[ Molekul Vol 18 No 1 (2023) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2023.18.1.8123
<![CDATA[The composite of Graphite/PbTiO3 has been synthesized for photocatalyst and photo-electrocatalyst of Methyl Orange (MO) and Methyl Violet (MV) degradation using a visible light source. The aims of the research were to study the influence of pH of the solution, iradiation time and kinetics study of MO and MV photodegradation, voltage of photoelectrodegradation of MO and MV. Composite of Graphite/PbTiO3 was synthesized by the sol-gel process with Titanium Tetraisopropoxide (TTIP) solution and Pb(NO3)2 powder as the precursors. Graphite/PbTiO3 composite was characterized using X-ray difractometer and FTIR spectrometer. The diffractogram of Graphite/PbTiO3 composite showed peaks at 2θ = 26.507o as a characteristic diffraction of Graphite, and at 2θ = 31.838o and 39.294o as those of PbTiO3. FTIR spectrum of Graphite/PbTiO3 composite exhibits vibration peaks of TiO2 at 609.5 – 420.5 cm-1 and those of Pb-O at 1337.66 cm-1 until 1395.56 cm-1. The photodegradation results showed that Graphite/PbTiO3 composite can degrade MO and MV optimally at a pH = 3. The photodegradation levels of MO and MV were 90.33% and 88.26% for 30 min of visible light radiation, respectively. The photodegradation of MO and MV were following the first-order reaction with a reaction rate constant of 0.4445 min-1 and 0.4244 min-1, respectively. Meanwhile, the photoelectrodegradation of MO was 96.50% at 10 volts and at pH 11, while the photoelectrodegradation of MV was 95.14% at 10 volts and at pH 7. When compared previous research, this result also shows excellent degradation MO and MV using Graphite/PbTiO3 under visible light irradiation. So that the use of visible lights provides an advantage over the use of UV light.]]>
