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DFT-Based Study of Phenolic-Derived From Nutmeg (Myristica fragrans): Promising Bioreductants for Green Synthesis Silver Nanoparticles Nabila, Siti; Abdjan, Muhammad Ikhlas; Rakhman, Khusna Arif; Annisa, Dira Ayu; Mauraji, Ilham SW; Umar, Sudir
Molekul Vol 20 No 3 (2025)
Publisher : Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.jm.2025.20.3.16203

Abstract

ABSTRACT. The manufacture of silver nanoparticles (AgNPs) can be synthesized by reducing silver ions Ag+ to Ag0 by a reductant. Nutmeg (Myristica fragrans) fruit extract has the potential as a natural reductant (bioreductant) that can donate electrons to reduce Ag+ as a ligand and capping agent. This study aims to identify the potential of the bioactive compounds in Myristica fragrans (Mf) extract for the green synthesis of AgNPs using several parameters, including total energy, HOMO-LUMO, Fukui function, molecular electrostatic potential (MEP), global reactivity, and UV/Vis theoretical spectral analysis. The method used is Density Functional Theory (DFT) with Becke-3-parameter Lee-Yang-Parr (B3LYP) hybrid functionals, using the 6-31G (d,p) basis set for hydrogen (H), carbon (C), oxygen (O) atoms, and the LanL2Dz for the silver (Ag) atom. The results of the study indicate that single bioactive compounds eugenol, chalcone, carvacrol, and terpineol, as well as eugenol-Ag, chalcone-Ag, carvacrol-Ag, and terpineol-Ag complexes, are good reducing agents in the process of reducing Ag+ ions to Ag0 as AgNPs. In addition, these phen-Ag complexes show electron excitation at UV/Vis spectrophotometric simulation in the 454-473 nm wavelength range. This study provides a theoretical understanding of Ag+ reduction by bioactive compounds in Mf extract for green synthesis of AgNPs, thereby providing a scientific basis for developing green methods for eco-friendly, sustainable AgNP synthesis. Keyword: Bioreductant, DFT, green synthesis, Myristica fragrans, silver nanoparticles. .
Pendekatan Kimia Hijau dalam Industri Warisan Budaya: Pengelolaan Limbah Batik Giriloyo, Yogyakarta Rakhman, Khusna Arif; Wahab, Iis Hamsir Ayub; Sundari; Sugrah, Nurfatimah; Nadra, Wawan Suprianto; Agustang, Andi Tenri Pada; Sasmayunita; Sapsuha, Yusri; Hamdiani, Saprini
Jurnal Pengabdian Inovasi Masyarakat Indonesia Vol. 4 No. 2b (2025): Edisi khusus Dies Natalis Universitas Mataram
Publisher : Program Studi Pendidikan Kimia FKIP Universitas Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/a2jmky14

Abstract

Industri batik tradisional di Kampung Batik Giriloyo, Yogyakarta, tidak hanya berfungsi sebagai pusat warisan budaya tetapi juga sebagai penggerak vital perekonomian lokal. Namun, proses produksinya yang tradisional, terutama penggunaan lilin dan pewarna sintetis, berpotensi menimbulkan risiko lingkungan. Studi berbasis kegiatan masyarakat ini menyelidiki bagaimana limbah yang dihasilkan dari produksi batik dikelola dan mengevaluasi efektivitas serta dampak keberlanjutan dari praktik yang ada. Melalui international community service 2025, observasi lapangan dan wawancara semi-terstruktur dengan perajin batik dan tokoh masyarakat mengungkapkan bahwa Giriloyo telah membangun sistem pengolahan limbah lokal dengan prosedur operasi standar yang jelas. Meskipun tidak ada keluhan lingkungan yang signifikan dari masyarakat di sekitarnya, studi ini mengidentifikasi area-area kunci yang perlu ditingkatkan, terutama rendahnya efisiensi penggunaan kembali lilin (di bawah 10%) dan tidak adanya tahapan pengolahan pewarna yang berkelanjutan. Berlandaskan pada prinsip-prinsip kimia hijau, terutama pencegahan, bahan pengganti yang lebih aman, dan pengurangan limbah. Studi ini merekomendasikan peningkatan teknologi yang terjangkau dan kemitraan strategis untuk meningkatkan kinerja lingkungan. Temuan ini menawarkan model yang dapat direplikasi untuk industri kerajinan yang berakar pada budaya dan sadar lingkungan di pedesaan. Makalah ini berkontribusi pada wacana yang berkembang tentang ekonomi warisan berkelanjutan dan menyoroti potensi inovasi lokal dalam mencapai ketahanan ekonomi dan pengelolaan lingkungan.
AN OVERVIEW OF ADVANCED 2,2-Diphenyl-1-picrylhydrazyl (DPPH) ANALYSIS TECHNIQUES Ratnawaty, Gervacia Jenny; Indrawati, Ratih; Wahdaniah, Wahdaniah; Rakhman, Khusna Arif
Walisongo Journal of Chemistry Vol. 8 No. 2 (2025): Walisongo Journal of Chemistry
Publisher : Department of Chemistry Faculty of Science and Technology UIN Walisongo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21580/wjc.v8i2.26028

Abstract

Antioxidants play a crucial role in preventing oxidative damage, necessitating reliable analytical techniques for their evaluation. Oxidative stress, resulting from an imbalance between free radicals and antioxidants in the body, has been associated with various chronic diseases, including cancer, cardiovascular disorders, and neurodegenerative conditions. Therefore, accurately assessing antioxidant activity is essential for developing health-related products and validating their efficacy. This study reviewed and compared various analytical methods used to determine antioxidant activity, emphasizing their advantages, limitations, and applicability across different sample types. Traditional spectrophotometric assays, such as the 2,2-diphenyl-1-picrylhydrazyl (DPPH) method, remain widely used because of their simplicity and cost-effectiveness, although they often suffer from matrix interferences. Advanced techniques, including gas chromatography–mass spectrometry (GC–MS), high-performance liquid chromatography coupled with DPPH (HPLCDPPH), electrochemical methods, microfluidic systems, and miniaturized paper-based assays, provide improved sensitivity, accuracy, and efficiency. These methods enable a more comprehensive assessment of antioxidant activity by offering deeper insights into reaction mechanisms and compound interactions. The integration of multiple analytical approaches can further enhance antioxidant characterization, supporting applications in the food, pharmaceutical, and biomedical industries. This review highlights the importance of selecting appropriate analytical techniques based on research objectives and sample characteristics, while also outlining future directions for advancing antioxidant detection methodologies.