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Pure Chemistry Research
Published by Lembaga Publikasi Ilmiah Nusantara
ISSN : -     EISSN : 31104444     DOI : https://doi.org/10.70716/purechem
Core Subject : Science,
Chemistry
Pure Chemistry Research (PURECHEM) (e-ISSN: 3110-4444) is an open access and peer reviewed journal published by Lembaga Publikasi Ilmiah Nusantara (PUBLINE Institute). PURECHEM is devoted to the dissemination of new and original knowledge in all branches of chemistry. The result of research and development in the fields of chemistry in both experimental and theory/ computation, chemical-based technological innovations, and chemical applications in industrial fields. The journal publishes original research articles or review articles in organic chemistry, inorganic chemistry, analytical chemistry, physical chemistry, biochemistry, computational chemistry and environmental chemistry.
Arjuna Subject : Kimia(semua kategori) - Kimia (Lain-Lain)
Articles 5 Documents
 1 
Search results for , issue "Vol. 1 No. 1: Pure Chemistry Research, June 2025" : 5 Documents clear
Eksplorasi Peran Logam Transisi (Fe, Cu, Mn) dalam Sintesis In-situ dan Pertumbuhan Kristal Zeolit Aluminofosfat: Analisis Struktural dan Termal Muhammad Fadil Athar; Siti Khumaira; Ahmad Fahrizal
Pure Chemistry Research Vol. 1 No. 1: Pure Chemistry Research, June 2025
Publisher : Lembaga Publikasi Ilmiah Nusantara

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70716/purechem.v1i1.264

Abstract

This study aims to explore the role of transition metals (Fe, Cu, Mn) in the in-situ synthesis and crystal growth of aluminophosphate zeolites through structural and thermal analysis approaches. Crystal structure modification was carried out by incorporating transition metal cations into the aluminophosphate framework to observe their effects on morphology, pore distribution, thermal stability, and potential catalytic properties. The synthesis process was conducted using the hydrothermal method with varying metal concentrations, followed by characterization through XRD, FTIR, SEM, EDX, and thermal analysis (TGA/DSC). The results show that the presence of Fe, Cu, and Mn plays a significant role in directing crystal growth with distinct patterns. Fe enhances framework ordering and improves thermal stability, Cu influences crystal size and surface properties, while Mn contributes to the formation of framework defects that increase the specific surface area. Overall, transition metal doping improves the structural properties and enhances the catalytic potential of aluminophosphate zeolites in oxidation reactions and biomass conversion. These findings contribute to the fundamental understanding of aluminophosphate-based porous material synthesis as well as opportunities for their development in environmentally friendly industrial applications.
Studi Komputasi DFT terhadap Stabilitas dan Energi Ikatan Molekul Hidrokarbon Aromatik Polisiklik Andra Hendrawan
Pure Chemistry Research Vol. 1 No. 1: Pure Chemistry Research, June 2025
Publisher : Lembaga Publikasi Ilmiah Nusantara

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70716/purechem.v1i1.265

Abstract

Polycyclic aromatic hydrocarbons (PAHs) are a class of organic compounds composed of multiple fused aromatic rings, widely studied due to their environmental persistence, stability, and potential health hazards. Understanding their bonding characteristics and stability is crucial for both theoretical and applied chemistry. This study employs Density Functional Theory (DFT) to investigate the stability and bond energies of selected PAH molecules, including naphthalene, anthracene, and pyrene. Computational simulations were conducted using the B3LYP functional with the 6-311G(d,p) basis set. The results demonstrate that the stability of PAHs increases with the number of fused aromatic rings, while bond dissociation energies (BDEs) reveal subtle variations influenced by molecular topology. Frontier molecular orbital (FMO) analysis further indicates that HOMO–LUMO energy gaps decrease as molecular size increases, suggesting enhanced reactivity in larger PAHs. These findings provide insights into the structure–property relationships of PAHs and contribute to a deeper understanding of their stability in environmental and industrial contexts.
Studi Termokimia Kuantum untuk Derivatif Flavonoid: Perbandingan Stabilitas Energi dan Aktivitas Antiradikal berdasarkan Metodologi DFT/B3LYP Ahmad Pratama; Lilis Kurniawati; Dwi Handayani
Pure Chemistry Research Vol. 1 No. 1: Pure Chemistry Research, June 2025
Publisher : Lembaga Publikasi Ilmiah Nusantara

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70716/purechem.v1i1.266

Abstract

Flavonoids are a class of natural phenolic compounds with broad biological activities, particularly as antioxidants. Understanding the mechanism and efficiency of the antiradical activity of flavonoids can be achieved through the density functional theory (DFT) approach, which enables the analysis of bond energies and molecular reactivity parameters. This study employed the DFT/B3LYP method with the 6-31G(d,p) basis set to evaluate the energy stability and antiradical activity of several flavonoid derivatives. The analysis focused on ionization energy, electron affinity, HOMO–LUMO energy, and hydrogen atom donation potential. The computational results indicated that hydroxyl group substitution at specific positions influences antiradical capacity through resonance stabilization and reduction of O–H bond energy. Derivatives bearing hydroxyl groups at the ortho and para positions tend to be more stable and possess higher antiradical potential compared to other substitutions. These findings reinforce the role of DFT as a predictive tool for understanding the structure–antioxidant activity relationship in flavonoids, which is valuable for the development of bioactive compounds in pharmaceutical and food applications.
Pemanfaatan Limbah Kulit Pisang sebagai Adsorben Alami untuk Menurunkan Kadar Logam Berat Pb(II) dalam Air Muhamad Rifai; Azhar Hakiki; Linda Rositawati
Pure Chemistry Research Vol. 1 No. 1: Pure Chemistry Research, June 2025
Publisher : Lembaga Publikasi Ilmiah Nusantara

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70716/purechem.v1i1.267

Abstract

Water pollution caused by heavy metals such as lead [Pb(II)] has become a serious environmental issue due to its toxic, persistent, and bioaccumulative nature within the food chain. Various methods have been developed to reduce heavy metal concentrations in water, one of which is adsorption. This study aims to utilize banana peel waste as a natural adsorbent to decrease Pb(II) levels in contaminated water. Dried and ground banana peels were activated with an acid solution to enhance their adsorption capacity, and then applied to test solutions with variations in initial Pb(II) concentration, contact time, and adsorbent dosage. The results showed that banana peels exhibited a significant adsorption capacity for Pb(II) ions, with the highest removal efficiency obtained at an adsorbent dosage of 2 g/100 mL of solution and a contact time of 60 minutes. The adsorption mechanism is presumed to occur through interactions with functional groups such as –OH, –COOH, and –NH2 present in the cellulose, hemicellulose, and lignin structures of banana peels. These findings demonstrate that banana peel waste can serve as an eco-friendly, low-cost natural adsorbent for the treatment of heavy metal–contaminated water.
Sintesis Karbon Aktif dari Kulit Durian dengan Aktivator HCl dan Aplikasinya sebagai Biosorben Logam Tembaga Muhsinun Muhsinun
Pure Chemistry Research Vol. 1 No. 1: Pure Chemistry Research, June 2025
Publisher : Lembaga Publikasi Ilmiah Nusantara

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70716/purechem.v1i1.268

Abstract

Utilization of biomass waste into activated carbon represents a sustainable strategy for environmental management while also providing eco-friendly functional materials. This study employs durian peel (Durio zibethinus) as the raw material for activated carbon production through carbonization at 400 °C for 2 hours, followed by chemical activation using HCl solution at varying concentrations. The resulting activated carbon was characterized based on its physical properties (moisture content, ash content, iodine adsorption capacity) as well as surface morphology using SEM. Adsorption tests for Cu²⁺ ions were conducted using the batch method under different initial concentrations and contact times. The results showed that HCl activation reduced moisture content to 4.2%, lowered ash content to 3.9%, and enhanced iodine adsorption capacity to 892 mg/g. SEM analysis revealed increased porosity with pore sizes ranging from 0.5–2.5 µm. Adsorption tests indicated an optimum uptake capacity of 40.2 mg/g with efficiency exceeding 80% at a solution concentration of 50 ppm and a contact time of 60 minutes. Adsorption data were better fitted to the Langmuir isotherm model (R² = 0.987) and pseudo-second-order kinetics (R² = 0.991), indicating a monolayer chemisorption-based mechanism. These findings highlight the great potential of durian peel as a low-cost, effective, and environmentally friendly source of activated carbon for the remediation of heavy metal-contaminated wastewater, particularly copper ions.

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