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INDONESIA
JURNAL KIMIA SAINS DAN APLIKASI
Published by Universitas Diponegoro
ISSN : 14108917     EISSN : 25979914     DOI : -
Core Subject : Science, Engineering,
Chemical Engineering, Chemistry & Bioengineering Chemistry Engineering
urnal Kimia Sains dan Aplikasi (p-ISSN: 1410-8917) and e-ISSN: 2597-9914) is published by Department of Chemistry, Diponegoro University. This journal is published four times per year and publishes research, review and short communication in field of Chemistry.
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Articles 850 Documents
 81   82   83   84   85 
In Silico Study of Fatty Acid Compounds in Pure Eel Oil (Anguilla marmorata (Q.) Gaimard) as a Therapeutic Agent for Liver Cancer Shara Wardhani; Saipul Maulana; Jamaluddin Jamaluddin
Jurnal Kimia Sains dan Aplikasi Vol 29, No 5 (2026): Volume 29 Issue 5 Year 2026
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.29.5.314-327

Abstract

Liver cancer is a leading cause of cancer-related deaths globally, due to late diagnosis and limited treatment options. Developing aquatic resources as sources of bioactive compounds with anti-inflammatory and antiproliferative activities may provide a potential strategy for exploring alternative therapeutic candidates for liver cancer. Eels (Anguilla marmorata (Q.) Gaimard) are known to contain fatty acids with anti-inflammatory and antiproliferative activities, potentially with anticancer activity. However, there have been no scientific reports related to specific fatty acid compounds in pure eel oil that have the potential to be liver anticancer agents. This study aims to identify the molecular targets of eel oil fatty acids with the potential to inhibit liver cancer cell growth and to analyze molecular interactions and binding affinities with target proteins. The methods used were an integrated computational approach of network pharmacology and molecular docking, accompanied by ADMET prediction. The results of this study showed that network pharmacology analysis predicted three main target proteins, namely SRC, PIK3CA, and PIK3CB, which play an important role in the pathogenesis of liver cancer. The molecular docking results showed that of the 34 eel compounds, six compounds showed strong binding affinity toward SRC, PIK3CA, and PIK3CB, such as 5,8,11,14,17-cis -Eicosapentaenoic Acid (SRC and PIK3CB), Eicosapentaenoic Acid (SRC), Cis-4,7,10,13,16,19 -Docosahexaenoic Acid (SRC, PIK3CA, and PIK3CB), Gamma-Linolenic Acid (PIK3CA), Arachidonic Acid (PIK3CA), and Cis 8,11,14-Eicosatrienoic Acid (PIK3CB). However, these docking scores were weaker than those of the native ligands (approximately −9 to −10 kcal/mol), suggesting relatively weak ATP-binding site occupancy compared with approved inhibitors. ADMET prediction suggested generally favorable ADME properties, and in silico toxicity predictions indicate low acute toxicity risk. In conclusion, this study identified fatty acid compounds from pure eel oil as multi-target therapeutic candidate compounds that may serve as preliminary multi-target candidate compounds for further experimental validation in liver cancer research.
Effect of Clove Flower Essential Oil (Syzygium aromaticum) Addition on the Antibacterial and Antioxidant Activities of Lemongrass Essential Oil (Cymbopogon citratus) Enny Fachriyah; Safira Kaltsum Annuru; Ismiyarto Ismiyarto; Purbowatiningrum Ria Sarjono
Jurnal Kimia Sains dan Aplikasi Vol 29, No 5 (2026): Volume 29 Issue 5 Year 2026
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.29.5.361-372

Abstract

Indonesia, as a tropical country, possesses substantial potential for the development and utilization of essential oils, particularly those derived from lemongrass (Cymbopogon citratus) and clove flowers (Syzygium aromaticum). Lemongrass essential oil is rich in citral and exhibits notable antibacterial activity; however, its antioxidant activity is relatively low. In contrast, clove essential oil is predominantly composed of eugenol, a compound recognized for its strong antibacterial and antioxidant properties. This study aimed to evaluate the effect of clove essential oil addition on the antibacterial and antioxidant activities of lemongrass essential oil. The essential oils were obtained through steam distillation and characterized using gas chromatography–mass spectrometry (GC–MS). Biological activities were assessed by determining total phenolic content, antioxidant activity using the DPPH assay, and antibacterial activity against Staphylococcus aureus and Escherichia coli. The results demonstrated that the addition of clove essential oil increased the total phenolic content and enhanced both the antioxidant and antibacterial activities of lemongrass essential oil. Among the tested combinations, the 1:2 (lemongrass) ratio exhibited the strongest antioxidant activity, with an IC50 value of 14.400 mg/L, which was substantially lower than that of lemongrass essential oil alone (262.28 mg/L). In the antibacterial assay, the 2:1 ratio showed the strongest inhibitory activity against Staphylococcus aureus, whereas the 1:1 ratio was more effective against Escherichia coli. These findings indicate that the addition of clove essential oil enhances the biological activities of lemongrass essential oil, resulting in additive effects on both antioxidant and antibacterial properties. Therefore, the combination of lemongrass and clove essential oils shows promise as a natural source of antibacterial and antioxidant agents.
Copigmented Butterfly Pea Flower Extract (Clitoria ternatea L.) as an Antibacterial Agent against Propionibacterium acnes and Its Formulation in Microneedle Patches Lilis Tuslinah; Adita Diari Fanisa; Mochamad Fathurohman
Jurnal Kimia Sains dan Aplikasi Vol 29, No 5 (2026): Volume 29 Issue 5 Year 2026
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.29.5.328-337

Abstract

Acne vulgaris is a common skin condition often caused by a bacterial infection with Propionibacterium acnes. The extract of butterfly pea flower (Clitoria ternatea L.) contains anthocyanins and other bioactive compounds that have potential as antibacterial agents. Anthocyanins are unstable to heat and light; thus, copigmentation with 1.2% citric acid was performed to maintain their stability. This study aims to evaluate the antibacterial potential of the copigmented extract and to characterize the hyaluronic acid- based microneedle patch formulation as a transdermal delivery system, including organoleptic tests, mechanical tests, and morphology using Scanning Electron Microscopy (SEM), as well as the antibacterial potential of the formulation. The results showed an extract yield of 55.45% with an anthocyanin content of 2.9668 mg/L (expressed as cyanidin-3-glucoside equivalents in the analytical solution), with an inhibition zone classified as strong (10–20 mm), and ANOVA analysis indicated significant differences among concentrations (p = 0.032). The microneedle patch formulation exhibited needle deformation following a standardized 32 N compression test (from 395 ± 1.67 µm to 291 ± 17.56 µm), but showed antibacterial activity with an inhibition zone of 12.82 ± 0.07 mm, classified as strong, and was significantly different from the negative control (p = 0.032).
The Release of Curcumin from β-TCP/SiO₂/Curcumin Composites in a Ringer’s Lactate Solution Tri Windarti; Ngadiwiyana Ngadiwiyana; Fadila Fibriani
Jurnal Kimia Sains dan Aplikasi Vol 29, No 5 (2026): Volume 29 Issue 5 Year 2026
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.29.5.373-378

Abstract

Osteoporosis is characterized by bone deterioration caused by high levels of reactive oxygen species (ROS), which inhibit osteoblast activity and lead to a decrease in bone density. Adding curcumin, a natural antioxidant, to calcium phosphate cement (CPC) enhances its function beyond simply increasing bone density. In this study, CPC was prepared from a β-tricalcium phosphate (β-TCP, β-Ca3(PO4)2) composite with curcumin. To enhance the interaction between β- TCP and curcumin, silicon dioxide (SiO2) was added. β-TCP was synthesized by the sol-gel method, with SiO2 content ranging from 1.6 to 8.3%. CPC preparation was carried out using a 2.5% Na2HPO4 solution. The release of curcumin in a Ringer’s lactate solution was studied in relation to the role of SiO2. The UV-Vis spectral intensity of the remaining Ringer’s lactate solution after soaking decreased as the SiO2 content increased. Results from a five-day soaking period showed that β-TCP did not transform into hydroxyapatite, but rather experienced a decrease in crystallinity and average crystal size from 96.175% to 25.524% and from 58.335 nm to 39.474 nm, respectively. Therefore, it can be predicted that CPC can maintain the presence of curcumin in a physiological environment.
Combination of Nutmeg Seed (Myristica fragrans Houtt.) and Lemongrass (Cymbopogon citratus) Essential Oils: Evaluation of Antioxidant and Antibacterial Activities Enny Fachriyah; Tyara Qisti Aisyah; Muhammad Badrul Huda
Jurnal Kimia Sains dan Aplikasi Vol 29, No 5 (2026): Volume 29 Issue 5 Year 2026
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.29.5.338-346

Abstract

Essential oils are secondary metabolites that exhibit various biological activities, such as antioxidants and antibacterial activities. This study aimed to evaluate the antioxidant and antibacterial activities of nutmeg seed (Myristica fragrans Houtt.) and lemongrass (Cymbopogon citratus) essential oils, as well as their combination. The essential oils were obtained by steam distillation, physically characterized, and their chemical components analyzed using GC-MS. Antioxidant activity was determined using the DPPH method, and antibacterial activity was evaluated using the well-diffusion method against E. coli and S. aureus. The results showed that nutmeg seed essential oil contained α-pinene (18.49%) as the major compound with moderate antioxidant activity (IC50 = 139.49 mg/L), whereas lemongrass essential oil was dominated by α-pinene (29.19%) with lower antioxidant activity (IC50 = 263.54 mg/L). In antibacterial assays, nutmeg essential oil showed moderate to strong activity, while lemongrass essential oil exhibited weak to moderate activity. Among the combinations, the ratio of 2:1 (nutmeg:lemongrass) demonstrated the highest antibacterial activity, with inhibition zones of 13.50 mm against E. coli and 14.00 mm against S. aureus at 50% concentration, indicating improved antibacterial effects compared to other combinations. The combined essential oils of nutmeg and lemongrass exhibited bacteriostatic activity and showed improved antibacterial effects; however, no enhancement in antioxidant activity was observed.
Optimization of Guava Leaf Extract Loading in Chitosan-Based Nanoencapsulation for Oxidation Inhibition Ernik Dwi Safitri; Ngurah Ayu Ketut Umiati; Agus Subagio
Jurnal Kimia Sains dan Aplikasi Vol 29, No 5 (2026): Volume 29 Issue 5 Year 2026
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.29.5.347-353

Abstract

Guava leaves contain various active compounds, including tannins, phenolics, and flavonoids, with potential as antioxidants, antimicrobials, and anti-inflammatory agents. Guava leaf extract has been used in various fields, including manufacturing, as a corrosion inhibitor. Nanoencapsulation is a method for maintaining the stability and durability of guava leaf extract under various environmental conditions, including changes in pH and temperature, as well as chemical degradation. In this study, guava leaf extract was obtained by ultrasonication. Nanoencapsulation of guava leaf extract at varying concentrations was performed using the ionic gelation method with the natural polymer chitosan and the cross-linking agent STPP. Sample characteristics were identified using X-ray Fluorescence Spectroscopy, Fourier Transform Infrared Spectroscopy, Particle Size Analysis, and Inductively Coupled Plasma–Optical Emission Spectroscopy. The optimal concentration of guava leaf extract in this encapsulation study, 2000–3500 ppm, resulted in particle sizes of 315–390 nm and a polydispersity index below 0.5, indicating well-dispersed particles. The smaller, more dispersed particles will increase the electrostatic bonding between particles, thereby strengthening the interactions involved in the formation of the complex layer. This layer reduces pyrite oxidation by decreasing the release of sulfur and iron into the leaching environment. Nanoencapsulation of guava leaf extract using the ionic gelation method with chitosan is quite effective.
Biosynthesis of ZnO Nanoparticles from Cnidoscolus aconitifolius Leaf Extract: Structure, Morphology, and Photocatalytic Performance for Methylene Blue and Methyl Orange Degradation by UV Light Irradiation Sri Wahyu Suciyati; Anisatul Mahmudah; Lusia Prastica; Ayu Aprilia
Jurnal Kimia Sains dan Aplikasi Vol 28, No 9 (2025): Volume 28 Issue 9 Year 2025
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.28.9.502-511

Abstract

Zinc oxide nanoparticles (ZnO NPs) were produced via an environmentally friendly approach using Cnidoscolus aconitifolius leaf extract and subsequently heat-treated at 250°C. The presence of Zn–O vibrations and organic functional groups in the extract was verified by FTIR analysis, while XRD data revealed a wurtzite structure with a mean crystallite dimension of 17.64 nm. SEM images mainly showed round-shaped particles with a band gap energy of 3.29 eV. Assessments of photocatalytic capability indicated substantial degradation of methylene blue (MB, reaching 92.96%), in contrast to diminished degradation of methyl orange (MO, registering 43.93%). This improved effectiveness was attributed to the combined favorable effects of concurrent photocatalytic processes. The kinetic evaluation followed a pseudo-second-order model, yielding rate constants of 0.38 min−1 for MB and 0.064 min−1 for MO. Overall, the green-synthesized ZnO NPs calcined at 250°C exhibit excellent photocatalytic activity, particularly for the degradation of MB.
Preparation and Characterization of Nanostructured Lipid Carriers Retinol Based on Patchouli Oil (Pogostemon cablin Benth.): Characteristic Test and Release Profile Angga Saputra Yasir; Veni Putri Nurhayati; Aida Febina Sholeha; Okta Amelia
Jurnal Kimia Sains dan Aplikasi Vol 29, No 3 (2026): Volume 29 Issue 3 Year 2026
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.29.3.161-177

Abstract

Nanostructured Lipid Carriers (NLC) were developed as a topical delivery system to overcome the limitations of retinol, such as low stability and uncontrolled release. This study used patchouli oil (PO) as a liquid lipid component to enhance the efficiency of retinol encapsulation and lipid matrix stability. The purpose of this study was to create, characterize, and test the release profile and in vitro antioxidant activity of the NLC retinol-patchouli oil (NLC-RPO) system. Optimization was performed by determining the ratio of solid lipid to liquid lipid, and the formulation was prepared using the high-shear homogenization and rapid cooling (ice bath) method. Characterizations carried out included particle size, PDI, zeta potential (ZP), morphology, entrapment efficiency (EE), FTIR, physical stability, pH, and viscosity. The release profile was tested using a Franz diffusion cell. The optimal NLC-RPO formula (1.2% cetyl alcohol, 0.8% patchouli oil, 0.3% retinol, 1% span 60, 4% tween 80) was successfully obtained and demonstrated suitable characteristics: particle size of 114.4 ± 0.42 nm, PDI 0.29 ± 0.02, ZP -32 ± 1.58 mV, EE 86.56 ± 4.24 % (n=3), and spherical morphology. The physicochemical evaluation revealed a pH of 5.59, pseudoplastic flow behavior, and good physical stability as confirmed by centrifugation testing. The NLC-RPO formulation demonstrated a modestly slower in vitro release rate at earlier time points vs free retinol under our test conditions. The antioxidant activity, tested using the DPPH method, showed that NLC-RPO had stronger antioxidant activity, with an IC50 of 99.59 ± 0.49 (n=3), compared to retinol and PO. Further research could conduct retinol degradation tests and in vivo penetration tests to comprehensively validate dermatological efficacy or to develop it into an anti-aging cosmetic.
Validation of Semiempirical Calculation Methods for the Development of 1,2,3-Triazole-based Compounds Ponco Iswanto; Yesicha Megawarni Lumban Raja; Zhafran Aliffathin; Ely Setiawan; Heny Ekowati
Jurnal Kimia Sains dan Aplikasi Vol 28, No 10 (2025): Volume 28 Issue 10 Year 2025
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.28.10.546-552

Abstract

Compounds based on 1,2,3-triazole have been widely utilized as anticancer agents. There are hydrogen bonds in compounds that can interact with a target biomolecule to form new compounds or derivative compounds that have useful biological activities. The 1,2,3-triazole compound has proven biological activities, including analgesic, antimicrobial, antiviral, anti-inflammatory, and antifungal properties. Molecular modeling for the development of 1,2,3-triazole compounds can be performed using a computational chemistry approach. One of the calculation methods used in molecular modeling is semiempirical calculations. The semiempirical method consists of 12 methods. This research was conducted to select 1 of 12 methods for the 1,2,3-triazole compound. First, the research procedure was to optimize the 1,2,3-triazole compound. Second, calculated the NMR spectrum. Third, calculated the physical properties, such as bond length and bond angles, and then calculated the Predicted Residual Sum of Squares (PRESS) value. The research results showed that the INDO semiempirical method had the smallest (lowest) PRESS value, namely 1.679. The INDO semiempirical method was the most suitable method for calculating 1,2,3-triazole compounds.
Biogenic Synthesis of TiO₂ Nanoparticles Mediated by the Ethanol Extract of Avocado Peel and Its Photocatalytic Activity on the Degradation of Rhodamine B Devi Andalusia; Surya Lubis; Muliadi Ramli; Irfan Mustafa; Cantik Oriza Siregar
Jurnal Kimia Sains dan Aplikasi Vol 29, No 3 (2026): Volume 29 Issue 3 Year 2026
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.29.3.207-216

Abstract

The synthesis of TiO2 nanoparticles (TiO2 NPs) by the green approach is highly preferred due to its non-toxicity and environmentally friendly nature. In this work, TiO2 NPs were synthesized using titanium tetra isopropoxide (TTIP) and ethanol extract of avocado peel (Persea americana Mill). The ethanol extract of avocado peel (EEAP) contained secondary metabolites including: phenolics, flavonoids, alkaloids, saponins, and terpenoids. These compounds play a role as bioreductor to reduce metal ion, and as capping and stabilizing agents to control nanoparticle growth and prevent aggregation. The total phenolic content (TPC) of the EEAP estimated using the Folin-Ciocalteu method and the total flavonoid content (TFC) evaluated using a colorimetric assay that involved aluminium chloride were 79.75 mg GAE/g and 21.74 mg QE/g, respectively. The characterization of as-synthesized TiO2 NPs was carried out using Fourier Transform Infrared (FTIR) spectroscopy, X-ray powder diffraction (XRD), Scanning Electron Microscopy-Energy Dispersive X-Ray Spectroscopy (SEM-EDX), and UV-Vis Diffuse Reflectance Spectroscopy (UV-Vis DRS). The XRD patterns confirmed that the crystalline phase of TiO2 NPs was anatase and rutile with an average crystallite size of 19.27 nm. The TiO2 NPs had a spherical shape with Ti, O and C contents 84.9%, 10.24% and 4.86%, respectively. The optical band gap of TiO2 NPs was found to be 3.16 eV. The TiO2 NPs were used as photocatalyst for degradation of rhodamine B (RhB) dye in batch photoreactor. The TiO2 NPs exhibited high photocatalytic activity on degradation of RhB dye with degradation percentage up to 96.39% after 120 minutes of UV irradiation and 98.98% after 30 minutes of sunlight irradiation. The higher degradation percentage of RhB under sunlight compared to UV irradiation can be ascribed to the broad spectrum of sunlight and dye sensitization mechanism. Moreover, the obtained results confirmed that the biogenic synthesized TiO2 NPs present a promising approach for the removal of organic pollutants and could be effectively utilized in wastewater treatment processes.

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