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 Anti-inflammatory Activities of Diarylheptanoid from Etlingera calophrys Fruit ]]>
<![CDATA[Karmilah, Karmilah]]>;
<![CDATA[Yodha, Agung Wibawa Mahatva]]>;
<![CDATA[Hamsidi, Rini]]>;
<![CDATA[Daud, Nur Saadah]]>;
<![CDATA[Malaka, Muhammad Hajrul]]>;
<![CDATA[Musdalipah, Musdalipah]]>;
<![CDATA[Sahidin, Sahidin]]>
<![CDATA[ Molekul Vol 19 No 3 (2024) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2024.19.3.12413
<![CDATA[Diarylheptanoids compounds from the genus Etlingera have attracted widespread attention due to their various structural diversity and potential pharmacological effects. This is certainly an important part to continue to study, especially from Sulawesi endemic species, one of which is Etlingera calophrys. The fruit of E. calophrys is widely utilized in the Sulawesi community. The lack of information on the content of chemical compounds and their pharmacological activities, so the study is very important. Diarylheptanoid compounds were obtained by chromatography technique, molecular structure interpretation by spectroscopy technique while pharmacological activity was tested against radical scavenging as antioxidant and inhibition of protein denaturation as anti-inflammatory. Two diarylheptanoid compounds were successfully isolated from E. calophrys fruit namely 1-(3'-methoxy-4'- hydroxyphenyl)-7-phenyl- 3-heptanone and 1-(3'-methoxy-4'- hydroxyphenyl)-7-(4"-hydroxyphenyl)- 3-heptanone. Antioxidant properties showed very strong ability with IC50 values of 32.21 ± 0.42 and 21.64 ± 0.63 µg/mL, respectively, while anti-inflammatory properties were strongly shown by the compound with IC50 values of 25.71 ± 0.54 and 15.28 ± 0.66 µg/mL, respectively. The presence of diarylheptanoid content that has good pharmacological activity can support the used of E. calophrys as a nutraceutical source. Keywords: Anti-inflammatory, antioxidant, diarylheptanoid, Etlingera calophrys, fruit]]>
<![CDATA[Synthesis and Antibacterial Activity of N-phenyl-3-(4-chlorophenyl)-5-(3,4-dimethoxy-phenyl) pyrazoline ]]>
<![CDATA[Nofiyanti, Estin]]>;
<![CDATA[Wahyuningsih, Tutik Dwi]]>;
<![CDATA[BTAG, Noer Laelly]]>;
<![CDATA[Anwar, Chairil]]>;
<![CDATA[Nurjanah, Novi]]>;
<![CDATA[Salman, Nurcholis]]>;
<![CDATA[Priastomo, Yoga]]>
<![CDATA[ Molekul Vol 20 No 2 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.2.5618
<![CDATA[ABSTRACT. Compound of N-phenyl-3-(4-chlorophenyl)-5-(3,4-dimethoxy-phenyl) pyrazoline was synthesized by cycloaddition reaction. The structure of the product was chracterized by FTIR, 1H-NMR and 13C-NMR spectrometers. The pyrazoline was screened for antibacterial activity using agar diffusion method against Staphylococcus aureus, Bacillus cereus, Bacillus subtillis, Shigella flexnerri, and Escherichia coli. The pyrazoline had been synthesized from chalcone with phenylhydrazine to give 52.90% yield. Antibacterial screening showed that pyrazoline was active against selected gram positive bacteria. The pyrazoline was found to exhibits an antibacterial activity and its zone of inhibition/concentration against S. aureus (8.75/300), B. cereus (7.75/1000), B. subtillis (6.50/1000), and E. coli (3.50/300). The result showed that pyrazoline which was subtituted with chloro and methoxy, was able to posse broad spectrum of the tested pathogenic bacteria. Keywords: chalcone, pyrazoline, antibacterial]]>
<![CDATA[Development of Fourier Transform Infrared Spectrophotometric Method for Quantification of Simvastatin, Atorvastatin, and Rosuvastatin in Marketed Tablet Preparations ]]>
<![CDATA[Nerdy, Nerdy]]>;
<![CDATA[Zebua, Nilsya Febrika]]>;
<![CDATA[Nadia, Syarifah]]>;
<![CDATA[Putra, Effendy De Lux]]>;
<![CDATA[Bakri, Tedy Kurniawan]]>
<![CDATA[ Molekul Vol 20 No 2 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.2.8635
<![CDATA[ABSTRACT. Marketed pharmaceutical dosage forms must be checked to ensure that the drug in distribution meets the quality requirements. The Fourier transform infrared spectrophotometric method will provide new innovations which are low cost, environmental friendly, simple, and rapid for analysis. The aim of this research was to develop a single analytical method that can be used to determine levels of three different statin derivatives (simvastatin, atorvastatin, and rosuvastatin) in tablet preparations. The method used in this study was Fourier transform infrared spectrophotometric, a very simple sample preparation stage by solvent extraction with minimal solvent extraction without potassium bromide and without pellet press. The specific wave numbers of simvastatin, atorvastatin, and rosuvastatin were determined between 4000 cm–1 to 650 cm–1. The Fourier transform infrared spectrophotometric method had been successfully developed and successfully applied to the determination of levels of simvastatin, atorvastatin, and rosuvastatin in marketed tablet preparations containing single active pharmaceutical ingredient. The specific wave numbers of simvastatin, atorvastatin, and rosuvastatin obtained was 1712.7 cm–1; 1660.5 cm–1; and 965.4 cm–1, respectively. The results obtained in the content determination based on the peak height and peak area fulfill the requirements for active pharmaceutical ingredient assay ranging from 90.00% to 110.00%. The developed method has also been validated for accuracy, precision, specificity, linearity, range, limit of detection, and limit of quantitation. Thus, this method can be a valid alternative method, cheap, green, easy, and fast in determination of the levels of simvastatin, atorvastatin, and rosuvastatin in tablet preparations. Keywords : atorvastatin, FTIR, rosuvastatin, simvastatin, tablet]]>
<![CDATA[The In Silico Study of Bioactive Compounds from Some Tropical Trees as Inhibitors of Papain-Like Protease SARS-COV-2 ]]>
<![CDATA[Falah, Syamsul]]>;
<![CDATA[Nuur’Alimah, Shobiroh]]>;
<![CDATA[Ambarsari, Laksmi]]>
<![CDATA[ Molekul Vol 20 No 2 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.2.9097
<![CDATA[ABSTRACT. Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) is the causal virus of the global COVID-19 pandemic. Furthermore, it is known to encode 4 structural and 16 non-structural proteins, one of which is Papain-Like protease (PLpro). This protein is an essential enzyme that plays a role in the maturation of viral polyproteins, the formation of replicate-transcriptase, and the signaling of the host's innate immune response to viral infections. To prevent the activities of PLpro, several compounds with inhibitory effects have been developed from natural sources. Flavonoid compounds from bay leaf (Syzygium polyanthum) and mahogany bark (Swietenia macrophylla), as well as phenolics from white teak bark (Gmelina arborea Roxb.), have been reported to have antiviral activities, but there are no studies on their potential as PLpro SARS-CoV-2 inhibitors. Therefore, this study aimed to investigate the PLpro SARS-CoV-2 inhibitory effects of 11 bay leaf, 3 mahogany bark, and 6 white teak bark test ligands within silico method using YASARA and PLANTS. The best test ligands obtained were epigallocatechin-3-gallate (-98.93 kcal/mol), catechin (-80.10 kcal/mol), epicatechin (-80.12 kcal/mol), and balanophonin (-83.36 kcal/mol) based on energy binding values surpassing the reference ligands ribavirin (-74.06 kcal/mol) and benserazide (-90.93 kcal/mol). Additionally, these four ligands satisfied physicochemical, pharmacokinetic, and toxicity predictions, in contrast to the natural ligand VIR251, which carries the risk of inhibiting hERG, potentially resulting in fatal outcomes. Based on the results, the compounds could be developed as effective alternative drugs in inhibiting PLpro SARS CoV-2. Keywords: Covid 19, molecular docking, Papain-Like protease, SARS CoV-]]>
<![CDATA[Design and Fabrication of a Microfluidic Chip Device for Colorimetric Quantitative Analysis of Albumin in Urine Matrix Solutionn ]]>
<![CDATA[Karmanto, Karmanto]]>;
<![CDATA[Fikroh, Retno Aliyatul]]>;
<![CDATA[Muna, Laili Nailul]]>
<![CDATA[ Molekul Vol 20 No 2 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.2.9230
<![CDATA[ABSTRACT. The existence of albumin in urine indicates kidney impairment, referred to as albuminuria. Early detection of kidney dysfunction can be done through the examination of urine albumin levels. This research aims to develop a microfluidic chip device for quantitative analysis of albumin in urine matrix solution using colorimetry with a smartphone-based device. The microfluidic chip device for albumin is tested and evaluated through functional tests and analysis of the quality of measurement data generated. The functional tests of the colorimetric system include testing the hydrophobic properties of the fluid on the material surface, fluid distribution pattern, color appearance, and leakage. The quality of measurement data is evaluated based on the predictive ability of the partial least squares regression models generated by data measurement for predicting the albumin levels accurately and precisely. A prototype of the microfluidic chip device for albumin was made from transparent acrylic material, with a 3-dimensional vertical fluid flow design consisting of two main parts: the inlet section and the colorimetric system for visual fluid observation. Based on the functional tests, it is found that the acrylic material in the colorimetric system has a hydrophilic surface characteristic with a contact angle of 61.15o. The fluid can flow and distribute well within the colorimetric system without producing bubbles. The color appearance in the colorimetric system is also visualized well without fluid leakage. On the other hand, RGB HSL data, as the digital image identity of the training and test samples, can be used as predictor variables. The method validation demonstrated acceptable sensitivity, with an LOD of 3.368 mg/dL and an LOQ of 11.825 mg/dL. Precision at 16 mg/dL showed good repeatability (RSD 0.561%, recovery 99.26%;) and reproducibility (RSD 2.147%, recovery 101.42%). These results confirm the method's reliability for albumin quantification at the tested concentration level. Keywords: Albumin, albuminuria, colorimetry, microfluidic chip, PLSR, urine analysis]]>
<![CDATA[Synthesis, Molecular Docking, and In Vitro Activity Test of Thioxanthenol and Nitrothioxanthone Derivatives As Anticancer Agents ]]>
<![CDATA[Anggraeni, Putri Dian]]>;
<![CDATA[Jumina, Jumina]]>;
<![CDATA[Anwar, Chairil]]>;
<![CDATA[Kurniawan, Yehezkiel Steven]]>
<![CDATA[ Molekul Vol 20 No 2 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.2.10089
<![CDATA[ABSTRACT. This research aimed to compare, synthesise, study molecular docking, and test the anticancer activity of thioxanthenol, 1-hydroxythioxanthone, 4-nitrothioxanthone, and 2-nitrothioxanthone compounds through in silico and in vitro assays, highlighting their selective cytotoxicity and potential as novel anticancer scaffolds. These four compounds were obtained through reduction and nitration reactions of the thioxanthone. Thioxanthenol compound was obtained through the reduction of thioxanthone using sodium borohydride. The 1-hydroxythioxanthone, 4-nitrothioxanthone, and 2-nitrothioxanthone compounds were obtained from the nitration of thioxanthone compounds. The compounds were characterised using FTIR, GC-MS, 1H-NMR, and 13C-NMR. In vitro cytotoxicity tests were performed using microtetrazolium (MTT) assays against T47D, WiDr, and Hela cancer cell lines and the Vero cell line as normal cells. The molecular docking process was studied to determine the in silico activity of the compounds with protein targets. The reduction reaction produced the thioxanthenol compound as a yellowish-white solid in 40.63% yield. The nitration reaction produced 1-hydroxythioxanthone, 4-nitrothioxanthone, and 2-nitrothioxanthone compounds as light-yellow solids in 33.54%; 29.27%; and 31.71% yield, respectively. The synthesized compounds demonstrated selective anticancer activity against certain cancer cells. Thioxanthenol compound showed an IC50 value of 17.46 µg mL-1 on the WiDr cell line and nitrotioxanthone compound showed an IC50 value of 6.05 µg mL-1 on the T47D cell line. Molecular docking showed that the thioxanthone derivatives might act as the anticancer agent through inhibition of epidermal growth factor receptor (EGFR), P-glycoprotein, and Erα functions. Keywords: anticancer, nitrothioxanthone, thioxanthenol, thioxanthone]]>
<![CDATA[Klanceng Honey Beehive (Trigona biroi) Sunscreen Activity ]]>
<![CDATA[Purwaningsih, Yuliana]]>;
<![CDATA[Masduqi, Ahmad Fuad]]>;
<![CDATA[Indriyanti, Erwin]]>
<![CDATA[ Molekul Vol 20 No 2 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.2.10158
<![CDATA[ABSTRACT. UV radiation can cause various skin problems, including photoaging and skin cancer. Sunscreen can provide UV radiation protection. Klanceng honey bee nests may contain metabolites that could be employed as sunscreen agents. This research project investigates the sunscreen activity of the extract, n-hexane fraction, ethyl acetate fraction, and aqueous fraction of the Klanceng honey bee hive using SPF, % Te, and Tp values. Honey bee hives are extracted via maceration assisted by ultrasonic waves. As solvents for fractionation, n-hexane, ethyl acetate, and water are used. UV spectrophotometry at a wavelength of 290-375 nm was used to examine the sunscreen activity of the samples in vitro, and the SPF, % Te, and % Tp values were computed. The extract, n-hexane fraction, ethyl acetate fraction, and aqueous fraction had SPF values of 5.832, 4.464, 11.898, and 2.846, with medium, medium, maximum, and minimal protection categories, respectively. The % Te value indicates that the extract, n-hexane, and aqueous fraction do not protect anti-erythema transmission. However, the ethyl acetate fraction does. The % Tp statistic demonstrates that all samples offer sunblock category protection. Based on this, the availability of ethyl acetate fraction is the most effective defense against UV A and UV B rays, indicating that it has the most significant potential as a sunscreen agent. Keywords: Erythema, Pigmentation, Honey bee hive, SPF, Sunscreen]]>
<![CDATA[N-Doped and Chemically Activated Carbons Derived from Shrimp Shells Waste as Potential Electrode Materials for Electrochemical Supercapacitors ]]>
<![CDATA[Khuzaimah, Siti]]>;
<![CDATA[Mujiburohman, Muhammad]]>;
<![CDATA[Sugiharto, Agung]]>;
<![CDATA[Widayatno, Tri]]>;
<![CDATA[Fuadi, Ahmad M.]]>
<![CDATA[ Molekul Vol 20 No 2 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.2.11050
<![CDATA[ABSTRACT. Supercapacitors are widely recognized as energy storage solutions due to their high-power densities and long cycle life. Furthermore, there is growing scientific and technological interest in converting biomass waste into carbon materials for manufacturing supercapacitor electrodes. In addition to their abundance and cost-effectiveness, the appeal of carbons derived from biomass lies in their tuneable porosity, which enables the rational design of carbon materials to achieve the desired performance of supercapacitors. This work presents the synthesis of activated carbons from shrimp shells waste and its application for supercapacitor electrodes, with an activation treatment using phosphoric acid (H3PO4) and nitrogen doping (N-doped). The activator concentration was varied at 3, 6, and 9 M; while the N-doped ratios were 1:3, 1:5, and 1:7. The characteristics of activated carbon and supercapacitor electrodes was analysed with BET, SEM, CV, and GCD. The resulting materials exhibited amorphous and predominant microporous structures. Increasing the activation concentration gave smaller specific surface area, from 17.522 to 9.509 m2 g−1. The electrochemical properties of these activated carbons for supercapacitor applications were investigated by cyclic voltammetry, galvanostatic charge–discharge, with KOH electrolyte. The best activated carbon produced was mesoporous with the highest specific surface of 17.522 m2/g, obtained at 3 M H3PO4 and a nitrogen doping ratio of 1:3. At the same activator concentration and nitrogen doping ratio (3 M; 1:3), the highest capacitance was obtained 16.320 Farad, with current charging and discharging stop at 475 seconds and 1235 seconds, respectively. This work showcases the efficient and sustainable utilization of shrimp shells waste as a carbon source for supercapacitor applications and highlights their value in a circular economy. Keywords: Activated carbon, Activator H3PO4, Nitrogen doping, Shrimp shell, Supercapacitor]]>
<![CDATA[Optimization and Characterization of Urease Immobilization from Red Lentil Seeds (Lens culinaris) Using Chitosan ]]>
<![CDATA[zusfahair, zusfahair]]>;
<![CDATA[Ningsih, Dian Riana]]>;
<![CDATA[Bilalodin, Bilalodin]]>;
<![CDATA[Fatoni, Amin]]>;
<![CDATA[Luthfia, Adilla]]>;
<![CDATA[Purwati, Purwati]]>;
<![CDATA[Muslihah, Niken Istikhari]]>;
<![CDATA[Apriliadina, Inessa Putri]]>
<![CDATA[ Molekul Vol 20 No 2 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.2.13134
<![CDATA[ABSTRACT. Urease is an enzyme that plays a vital role in catalyzing the hydrolysis of urea into ammonia (NH3) and carbon dioxide (CO2). This study focuses on the isolation of urease from red lentil seeds, followed by its immobilization. The objective of this research is to optimize and characterize urease that has been immobilized using chitosan and activated with glutaraldehyde. Red lentil seeds were processed with a mortar and pestle at low temperatures (4 °C) to obtain a crude enzyme extract, which was then concentrated using 50% acetone (P50) prior to immobilization. The optimization process for P50 urease immobilization involved assessing various factors, including chitosan concentration, glutaraldehyde concentration, temperature, and the immersion duration in glutaraldehyde. The findings revealed that the optimal conditions for immobilizing P50 urease were achieved at a chitosan concentration of 0.75%, with a 2% glutaraldehyde soak at 25 °C for 2 hours, resulting in an enzyme activity of 7.042 U/g. The immobilized P50 urease demonstrated the ability to be reused up to 7 times while maintaining 51% of its initial activity. Scanning Electron Microscopy (SEM) analysis indicated morphological changes in the beads after the addition of glutaraldehyde and the enzyme, shifting from a rounded to an irregular shape. Additionally, Fourier Transform Infrared Spectroscopy (FTIR) analysis identified C-N and C=N peaks, confirming the successful incorporation of glutaraldehyde. Keywords: immobilization, red lentil seeds, glutaraldehyde, chitosan, urease]]>
<![CDATA[Selection of Four Lamiaceae Species (Ocimum americanum L., Ocimum basilicum L., Leucas lavandulifolia Sm., and Perilla frutescens (L.) Britton) as Antioxidant Sources and Metabolite Profile ]]>
<![CDATA[Wati, Vivi Septya]]>;
<![CDATA[Batubara, Irmanida]]>;
<![CDATA[Arifin, Budi]]>;
<![CDATA[Priosoeryanto, Bambang Pontjo]]>;
<![CDATA[Kuroki, Yutaka]]>
<![CDATA[ Molekul Vol 20 No 2 (2025) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2025.20.2.13140
<![CDATA[ABSTRACT. The Lamiaceae family which are widely used in traditional medicine in Indonesia. Plants from this family are known to have antioxidant bioactivity. Therefore, in this study, an antioxidant test was carried out first as an initial screening. This study evaluated the antioxidant capacity of four Lamiaceae species: Ocimum americanum L., Ocimum basilicum L., Leucas lavandulifolia Sm., and Perilla frutescens (L.) Britton. The four Lamiaceae species extracts were evaluated for their antioxidant capacity using 2,2-diphenyl-1-picrylhydrazyl (DPPH), cupric-reducing antioxidant capacity (CUPRAC), and ferric-reducing antioxidant power (FRAP). The highest activity extract was fractionated with n-hexane, ethyl acetate, and ethanol-water, and the results were tested for antioxidant capacity. The most active extract and most active fraction were analyzed for metabolites using liquid chromatography-mass spectrometry (LC-MS/MS). The results show that the ethanol 50% leaves extracts of O. americanum L. have the highest antioxidant capacity of about 0.439 (DPPH); 1.517 (CUPRAC); and 1.021 (FRAP) mmol ascorbic acid equivalent (AAE)/g extract. The highest antioxidant capacity from the partition results was possessed by the ethyl acetate fraction with a value of 1.109 (DPPH); 1.540 (CUPRAC); and 1.551 (FRAP) mmol AAE/g fraction. Metabolite analysis using LC-MS/MS succeeded in identifying 18 metabolites consisting of flavonoids, terpenoids, amino acids, phenolic acids, fatty acids, and other carboxylic acids. Keywords: Antioxidant, Leucas lavandulifolia, Ocimum americanum, Ocimum basilicum, Perilla frutescens]]>
