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All Journal Journal of Multidisciplinary Applied Natural Science International Journal of Renewable Energy Development
Putra, Nicky Rahmana
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Control & Systems Engineering Earth & Planetary Sciences Electrical & Electronics Engineering Energy Engineering Environmental Science Immunology & microbiology Materials Science & Nanotechnology Mathematics Physics

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Optimization of ultrasonication time on the production of ZnO-SiO2 nanocomposite as photocatalytic material Qomariyah, Lailatul; Faizah, Nurul; Karisma, Achmad Dwitama; Rabbani, Sulthan; Kalloka, Sultan Hendra Mahardi; Putra, Nicky Rahmana
International Journal of Renewable Energy Development Vol 14, No 5 (2025): September 2025
Publisher : Center of Biomass & Renewable Energy (CBIORE)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.61435/ijred.2025.61248

Abstract

Nanocomposite ZnO-SiO2 is widely known for its efficacy as a semiconductor photocatalyst. Current nanocomposite production methods face challenges like particle agglomeration and inconsistent particle size control. To overcome this problem, the ultrasonication method was used to prevent agglomeration and produce composites in nanoscale, where this study synthesized ZnO-SiO2 for photocatalytic degradation of dye color. To prepare this nanocomposite, the ultrasonication time was varied from 0 to 45 minutes to understand the particle properties and the effectivity on the photocatalytic activity. Silica was prepared from water glass via sol-gel method to produce colloidal SiO2 nanoparticles and then mixed with ZnO with the ratio of 3% wt and subjected to ultrasonication method. Under various ultrasonication time, the FTIR analysis shows the Si-O peak at 895 cm-1 indicates the presence of SiO2 particles. The XRD validate the formation of ZnO-SiO2 nanoparticles, supporting the FTIR analysis. The best nanoparticle properties were achieved with 45 minutes of ultrasonication. The SEM analysis confirms the present of SiO2 and ZnO. From BET analysis, ZnO-SiO2 has a high surface area (117.64 m2/g), moderate pore volume (0.46 cm3/g), and small particle pore size (11.59 nm). The photocatalytic activity of ZnO-SiO₂ nanocomposites was evaluated by the degradation of methylene blue (MB) under sunlight and the best performance reached by the nanocomposite prepared under 45 minutes ultrasonication. The results show that the ultrasonication technique efficiently reduces agglomeration, as indicated by a reduction in particle diameter from 35.04 nm (pure ZnO) to 11.59 nm (ZnO-SiO₂), and significantly enhances photocatalytic activity, achieving 97% degradation of MB under sunlight after 180 minutes. The aforementioned technique demonstrates significant potential for industrial use, providing higher efficiency and expandability in manufacturing superior photocatalytic substances.
Design of Hydroxyxanthone Derivatives as Breast Cancer Inhibitors: A QSAR Modeling, Molecular Docking, Molecular Dynamics, MM-PBSA and ADMET Prediction Fatmasari, Nela; Hermawan, Faris; Jumina, Jumina; Kurniawan, Yehezkiel Steven; Pranowo, Harno Dwi; Puspitasari, Anita Dwi; Hastuti, Lathifah Puji; Marlina, Lala Adetia; Putra, Nicky Rahmana
Journal of Multidisciplinary Applied Natural Science Articles in Press
Publisher : Pandawa Institute

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47352/jmans.2774-3047.283

Abstract

A comprehensive QSAR analysis, in conjunction with molecular docking, molecular dynamics simulations, MM-PBSA binding energy estimations, and ADMET profiling, was conducted to facilitate the development of novel anticancer agents based on hydroxyxanthone derivatives. Molecular and electronic descriptors were calculated using the DFT method with the 3-21G basis set. The best QSAR model identified several descriptors that significantly influence anticancer activity, including the atomic charges at positions C1, C3, C4a, and C7, as well as the highest occupied molecular orbital (HOMO), surface area (SA), molecular volume (VOL), and molecular weight (MW). This model was used to design novel hydroxyxanthone derivatives (X27 to X47). The docking result showed that compounds 7-bromo-3-hydroxy-1-(methylamino)-9H-xanthen-9-one (X43), 6-hydroxy-8-(methylamino)-9-oxo-9H-xanthene-2-carbonitrile (X44), and 3-hydroxy-7-mercapto-1-(methylamino)-9H-xanthen-9-one (X45) had stronger binding energy values than gefitinib as a native ligand. Gefitinib had a binding energy of -6.84 kcal/mol, while those compounds had values of -6.92, -7.12, and -6.92 kcal/mol, respectively. In a molecular dynamics simulation of 100 ns, compounds X43, X44, and X45 exhibited stability comparable to that of gefitinib against the EGFR protein. Additionally, the binding energy MM-PBSA of compound X43 was the lowest (-29.18 kcal/mol), followed by X44 (-27.11 kcal/mol), gefitinib (-26.06 kcal/mol), and X45 (-25.21 kcal/mol). Furthermore, these compounds met Lipinski's rule parameters and the minimal standard parameters in terms of ADMET characteristics, as predicted by physicochemical properties. In conclusion, compounds X43, X44, and X45 are potential anticancer agents for MDA-MB-231 breast cancer cells.
Co-Authors Achmad Dwitama Karisma Anita Dwi Puspitasari Faris Hermawan, Faris Fatmasari, Nela Harno Dwi Pranowo Jumina Jumina Kalloka, Sultan Hendra Mahardi Kurniawan, Yehezkiel Steven Lailatul Qomariyah, Lailatul Lathifah Puji Hastuti Marlina, Lala Adetia NURUL FAIZAH Rabbani, Sulthan