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[Levels of Cortisol and Inflammatory Cytokines after The Induction of Various Sleep Deprivation Stress Models in Male Wistar Rats ]]>
<![CDATA[Fitranto Arjadi]]>;
<![CDATA[Sindhu Wisesa]]>;
<![CDATA[Nor Sri Inayani]]>;
<![CDATA[Prasetyo Tri Kuncoro]]>;
<![CDATA[Catharina Widiartini]]>
<![CDATA[ Molekul Vol 17 No 3 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.3.6218
<![CDATA[Sleep deprivation (SD) can modulate the production of various cytokines, including pro-inflammatory cytokines such as IL-6, TNF-α, and IFN-γ, and anti-inflammatory cytokines such as IL-10. Paradoxical sleep deprivation (PSD) increases the risk of inflammation but can be relieved by sleep recovery (SR). This study aimed to determine the differences in levels of cortisol and inflammatory cytokines (IL-6, IL-10, TNF-α, dan IFN-γ) in male Wistar rats (Rattus norvegicus) after induction of various sleep deprivation stress models. Twenty-five of male Wistar rats were randomly divided into five groups: control, PSD (20 hours of SD/day for five days), Total Sleep Deprivation or TSD (24 hours of SD/day for five days), PSD+SR (PSD followed by SR), and TSD+SR (TSD followed by SR). The plasma cortisol levels were measured with ELISA, and inflammatory cytokine levels were measured with immunoassay and calculated with fold change. Mean cortisol levels were significantly increased in treatment groups compared to the control group (p=0.029). Multivariate analysis showed no statistically significant difference in inflammatory cytokine levels of IL-6 (p=0.658), IL-10 (p=0.065), TNF-α (p=0.399), and IFN-γ (p=0.283) in all groups. In conclusion, various sleep deprivation stress models affect cortisol levels but not inflammatory cytokine levels of IL-6, IL-10, TNF-α, and IFN-γ among male Wistar rats.]]>
<![CDATA[An Indirect Colorimetric Method for Potassium Determination in Soil Using a Paper Device and Smartphone ]]>
<![CDATA[Thinikan Thongkam]]>;
<![CDATA[Khuanjit Hemavibool]]>
<![CDATA[ Molekul Vol 17 No 3 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.3.6279
<![CDATA[This study presents a simple method for determination of potassium in microliter scale using a paper device together with a smartphone. The method begins with the ion-pair extraction of dibenzo-18-crown-6-K+ complex into dichloromethane with an excess amount of calmagite. The aqueous phase containing the remaining calmagite is transferred to the paper device, where a smartphone is used to capture the color and convert to RGB value. The linear detection range was found to cover potassium concentrations from 20 mg L-1 to 120 mg L-1. The detection and quantification are 5.41 mg L-1 and 18.03 mg L-1, respectively. Potassium detection was carried out in a variety of actual soil samples, and the results were validated against spectrophotometric results using a paired t-test, which indicated high accuracy. The proposed method is simple, fast, and inexpensive, and it requires no complicated equipment, making it ideally suited for detection of potassium in soil.]]>
<![CDATA[In vitro Antimicrobial and Antioxidant Activity of Meliaceae Plants Collection of Eka Karya Bali Botanic Garden ]]>
<![CDATA[Arrohmatus Syafaqoh Li’aini]]>;
<![CDATA[I Putu Agus Hendra Wibawa]]>;
<![CDATA[Ayyu Rahayu]]>
<![CDATA[ Molekul Vol 17 No 3 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.3.6285
<![CDATA[Meliaceae are popularly used to produce terpenoid and limonoid compounds. These compounds have the potential as antioxidants, antimicrobials, insecticides, antipyretics, and anthelmintics. This research aims to determine the antioxidant and antimicrobial activity of Meliaceae leaves extract of Eka Karya Bali Botanic Garden plants collection. The dried leaves of 15 species of Meliaceae were extracted by methanol. In vitro antimicrobial tests were carried out on agar media inoculated by selected microbe. On the other hand, the antioxidant activity was assayed by 1,1-diphenyl-2-picryl hydrazyl (DPPH) radical scavenging. As a result, Aphanamixis polystachya against Aspergillus niger (35.21 mm) and Cladosporium sp. (46.21), Toona hexandra against Fusarium solani (37.31 mm), Dysoxylum cauliflorum against Candida albicans (38.19 mm), Chisocheton pentandrus against Salmonella typhimurium (39.53 mm), Sandoricum koetjape against Staphylococcus aureus (50.07 mm), and Toona hexandra against Streptococcus nutans (42.25 mm) exhibited the strongest inhibitory effect. Furthermore, the antioxidant screening showed that Cipadessa baccifera, C. pentandrus, and Sandoricum koetjape exhibited strong antioxidant activity, while T. ciliata showed a very strong antioxidant activity with IC50 33.64 μg/mL. This study reveals an initial screening of the potential of various types of Meliaceae as a source of antioxidants and antibacterials. Furthermore, this information can be used as a new alternative for pharmaceutical companies and the industrial sector in the development of new products.]]>
<![CDATA[Sesquiterpenoids from Stem Bark of Chisocheton lasiocarpus and Their Cytotoxic Activity against MCF-7 Breast Cancer Cell ]]>
<![CDATA[Unang Supratman]]>;
<![CDATA[Samuel San Parulian]]>;
<![CDATA[Nurlelasari Nurlelasari]]>;
<![CDATA[Al Arofatus Naini]]>;
<![CDATA[Tri Mayanti]]>;
<![CDATA[Erina Hilmayanti]]>;
<![CDATA[Desi Harneti]]>;
<![CDATA[Darwati Darwati]]>;
<![CDATA[Rani Maharani]]>;
<![CDATA[Kindi Farabi]]>;
<![CDATA[Risyandi Anwar]]>;
<![CDATA[Sofa Fajriah]]>;
<![CDATA[Muhamad Nurul Azmi]]>;
<![CDATA[Yoshihito Shiono]]>
<![CDATA[ Molekul Vol 17 No 3 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.3.6425
<![CDATA[Sesquiterpenoids are derivatives of terpenoid compound that have a diverse skeleton and broad spectrum of biological activities, particularly anticancer activity. This research reported the isolation and elucidation structure of sesquiterpenoid from Chisocheton lasiocarpus stem bark, as well as their cytotoxic activity. Four sesquiterpenoid compounds, namely eudesm-4(15)-ene-1β,6β-diol (1), allo-aromadendrane-10α,14-diol (2), allo-aromadendrane-10β,14-diol (3) and guaianediol (4), were isolated for the first time from Chisocheton lasiocarpus stem bark. The chemical structure of all compounds was identified by spectroscopic analysis, including IR, MS, 1H-NMR, 13C-NMR and DEPT, and compared with previous reported spectral data. The cytotoxic activity of the isolated compounds against MCF-7 breast cancer line were examined by using the resazurin method. The results showed compound 1 shown the highest cytotoxic activity with IC50 108.08 ± 0.58 µM.]]>
<![CDATA[Carbon-Oxalate (C-Ox) Practicum Waste as an Adsorbent Material Candidate in the Chemistry Laboratory ]]>
<![CDATA[ Molekul Vol 17 No 3 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.3.6463
<![CDATA[This study aims to treat carbon and oxalate practicum waste as an adsorbent material candidate in the Chemistry Laboratory. Practicum waste was used to synthesise carbon-oxalate (C-Ox) by using wet (C-OxW) and semi-wet (C-OxDs) impregnation methods. The products were tested by SEM and FTIR. The adsorption was tested by contacting each 1 gram of C-Ox with various concentrations of chromium ions waste for 24 hours while shaking. The filtrate was measured by AAS. The data obtained were compared with standard activated carbon (CC) as control and analyzed with Freundlich and Langmuir isotherm equations. The results showed that C-Ox can be used as an adsorbent in the chemistry laboratory. Based on the SEM test, the pores of C-OxW were seen to be most than C-OxDs and CC. Adsorption of chromium ions of C-OxW and C-OxDs were more effective than CC. C-Ox test by FTIR showed very sharp wavenumbers appeared at 3674.5 and 3705.41 cm-1 for the hydroxyl groups; 1697.4 cm-1 for C=O; and 1141.8 cm-1 for C-O. The determination coefficient (R2) of Freundlich isotherm of CC and C-Ox were higher than Langmuir isotherm, and on the other hand, R2 of C-OxDs was shown oppositely.]]>
<![CDATA[Preparation of [Fe(paptH)2] (CF3SO3)2 and [Fe(paptH)2] [Fe(CN)5NO] (paptH = bis(2-(pyridin-2-ylamino)-4-(pyridin-2-yl)thiazole: Magnetic, Mössbauer, and Electronic Spectral Properties ]]>
<![CDATA[Kristian Handoyo Sugiyarto]]>;
<![CDATA[Harold Andrew Goodwin]]>
<![CDATA[ Molekul Vol 17 No 3 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.3.6619
<![CDATA[Complexes of [Fe(paptH)2][X]2.nH2O, (paptH = 2-(pyridin-2-ylamino)-4-(pyridin-2-yl)- thiazole, X = CF3SO3 and n = 1.5, and X2 = [Fe(CN)5NO] and n = 3) have been characterized in magnetic, Mössbauer, and electronic spectral properties. The studies reveal that the two complexes are predominantly quintet state at room temperature, but singlet at low temperature (below 91K). The change is assigned as a thermally spin state transition, singlet 1A1g (LS, low-spin) ↔ quintet 5T2g (HS, high-spin), in iron(II), being gradual, continuous, and incomplete at the experimental temperature range, and without hysteresis in these instances. The two complexes were yellowish brown at room temperature (~ 298K) but darkening to reddish brown at the lower temperatures.]]>
<![CDATA[Potential Indonesian Natural Compound as antiviral for COVID-19 targeting the RdRp: In silico Study ]]>
<![CDATA[Zahra Silmi Muscifa]]>;
<![CDATA[Tony Sumaryada]]>;
<![CDATA[Laksmi Ambarsari]]>;
<![CDATA[Setyanto Tri Wahyudi]]>
<![CDATA[ Molekul Vol 17 No 3 (2022) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2022.17.3.7017
<![CDATA[Research related to SARS-CoV-2 drugs is still ongoing. In this initial research, we perform a computational approach on SARS-CoV-2 inhibitors. RNA-dependent RNA polymerase (RdRp) is one of the functional proteins in SARS-CoV-2 that can be a target for drug development, which has an essential function in the viral replication process synthesizing the RNA genome of the virus. This study used the RdRp-Remdesivir complex structure from RCSB with ID PDB 7BV2, with a resolution of 2.5 Å. Currently, Remdesivir is under the clinical trial phase as a Covid-19 drug. In this study, we tested a thousand natural Indonesian compounds used as SARS-CoV-2 RdRp inhibitors obtained from the Indonesian natural compounds database (HerbalDB). The first stage of this computational analysis was pharmacophore modeling structure-based drug design. The natural compounds were analyzed based on their steric and electronic similarities to Remdesivir. A molecular docking simulation was then performed to obtain binding energy and bond stability to produce natural compounds that can inhibit RdRp SARS-CoV-2. The final stage was the molecular dynamics simulation that explored the conformational space of natural compounds and proteins. The ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) test was carried out on the five best compounds to obtain these natural compounds' computational pharmacology and pharmacokinetics. The simulation identified Sotetsuflavone (CID: 5494868) from Cycas revoluta, Grossamide (CID: 5322012) from Cannabis sativa, and 6-Hydroxyluteolin-6,7-disulfate (CID: 13845917) from Lippia nodiflora are the best compounds that can inhibit RdRp SARS-CoV-2. These potential compounds can then be tested in-vitro and in-vivo in the future.]]>
