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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 11 Documents
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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.
Reaksi Pembentukan Ester dari Komponen Minyak Atsiri Cengkih (Syzygium aromaticum) Menggunakan Etanol Islam Adiguna; Robby Purwanto; Desi Kartika Nugroho
Pure Chemistry Research Vol. 1 No. 2: Pure Chemistry Research, December 2025
Publisher : Lembaga Publikasi Ilmiah Nusantara

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70716/purechem.v1i2.321

Abstract

This study investigates the esterification reaction of the major constituent of clove essential oil (Syzygiumaromaticum), eugenol, using ethanol as the alcohol reactant. The process was conducted in a closed system with 1 wt% sulfuric acid (H₂SO₄) as a catalyst at temperatures ranging from 50 to 80 °C and a reaction duration of up to 120 minutes. Product characterization was performed using FTIR spectroscopy and GC–MS. The results indicate that the optimum reaction conditions were achieved at 70 °C with an ethanol-to-eugenol molar ratio of 8:1, yielding a maximum conversion of 91%. The FTIR spectrum confirmed ester formation through the appearance of a characteristic carbonyl (C=O) absorption at 1738 cm⁻¹ and a notable decrease in the hydroxyl (O–H) band at 3200–3400 cm⁻¹. Furthermore, GC–MS analysis revealed a dominant chromatographic peak consistent with the molecular structure of ethyl eugenylether, demonstrating the successful completion of the esterification reaction. The kinetic study showed that the reaction followed a pseudo-second-order model with an activation energy of 42.7 kJ/mol, while the mechanistic pathway proceeded via Fischer esterification involving a tetrahedral intermediate. These findings highlight that ester formation from eugenol can be interpreted fundamentally from a molecular and thermodynamic perspective. Moreover, the study reinforces the theoretical concept of esterification in organic chemistry and supports the potential utilization of clove essential oil as a natural feedstock for the synthesis of fragrance compounds and environmentally friendly additives.
Isolasi, Identifikasi Struktur Molekul Flavonoid dari Daun Belimbing Wuluh (Averrhoa bilimbi L.) dan Uji Kuantitatif Aktivitas Antijamur terhadap Candida albicans I Kadek pater Suteja; Egi Azikin Maulana; Dewa Gd. Agung Yudha Pratama
Pure Chemistry Research Vol. 1 No. 2: Pure Chemistry Research, December 2025
Publisher : Lembaga Publikasi Ilmiah Nusantara

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70716/purechem.v1i2.351

Abstract

This study aimed to isolate and elucidate the molecular structure of flavonoid compounds from bilimbi (Averrhoa bilimbi L.) leaves and to evaluate their antifungal activity against Candida albicans. Extraction was performed using maceration with 96% ethanol, followed by sequential fractionation with n-hexane, ethyl acetate, and methanol. Purification of the target compound was achieved through column chromatography and preparative thin-layer chromatography. Structural identification using UV–Vis, FTIR, and 1H/13C NMR spectroscopy confirmed that the isolated compound belongs to the flavonol class, characterized by aromatic hydroxyl groups and a conjugated flavonoid system. Although the yield of the purified compound was relatively low, its high purity enabled accurate structural characterization. Antifungal activity was quantitatively evaluated using the broth microdilution method. The isolated flavonoid exhibited significant antifungal activity against C. albicans, with a minimum inhibitory concentration (MIC) of 125 µg/mL and a minimum fungicidal concentration (MFC) of 250 µg/mL. The antifungal activity of the pure compound was higher than that of the semi-polar ethyl acetate fraction, indicating that the biological activity was predominantly attributed to the isolated flavonoid. The proposed antifungal mechanism involves disruption of fungal cell membrane integrity and inhibition of cell wall synthesis. Overall, this study demonstrates the potential of flavonoids from A. bilimbi leaves as natural antifungal agents, warranting further investigation for pharmaceutical development.
Analisis Kinetika Adsorpsi Zat Warna Rhodamin B menggunakan Hidroksiapatit Hasil Kalsinasi Tulang Sapi Lombok yang Diaktivasi oleh Na2CO3 Devy Lestiana Sembiring; Muhammad Andre; Cantika Wijaya
Pure Chemistry Research Vol. 1 No. 2: Pure Chemistry Research, December 2025
Publisher : Lembaga Publikasi Ilmiah Nusantara

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70716/purechem.v1i2.353

Abstract

Water pollution caused by synthetic dyes such as Rhodamine B poses a serious environmental problem due to their high toxicity, persistence, and resistance to degradation. This study investigated the potential of hydroxyapatite (HAp) synthesized from Lombok bovine bone waste and chemically activated with sodium carbonate (Na₂CO₃) as an adsorbent for Rhodamine B removal, with particular emphasis on adsorption kinetics. Hydroxyapatite was prepared through deproteinization followed by calcination at 900 °C, and subsequently modified using Na₂CO₃ activation. The synthesized materials were characterized using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and Brunauer–Emmett–Teller (BET) surface area analysis.XRD results confirmed that the activation process did not alter the primary crystalline phase of hydroxyapatite, while a slight reduction in crystallite size was observed. FTIR analysis revealed the presence of carbonate functional groups on the activated HAp surface. BET analysis showed a significant increase in specific surface area from 12.8 to 21.5 m²/g after Na₂CO₃ activation. Batch adsorption experiments demonstrated that the activated HAp achieved an equilibrium adsorption capacity of 9.87 mg/g with an equilibrium time of approximately 90 min. Kinetic analysis indicated that the adsorption process followed the pseudo-second-order model with a high coefficient of determination (R² = 0.996), suggesting that chemisorption was the dominant rate-controlling mechanism. These findings highlight the potential of Na₂CO₃-activated hydroxyapatite derived from bovine bone waste as a sustainable and effective adsorbent for dye-contaminated wastewater treatment.
Isolasi dan Identifikasi Asam Klorogenat dari Ampas Kopi Menggunakan Ekstraksi Cair–Cair dan Kromatografi Kolom dengan Analisis HPLC Samsul Bahri; Najib Muhammad; Fahmi Aryanu
Pure Chemistry Research Vol. 1 No. 2: Pure Chemistry Research, December 2025
Publisher : Lembaga Publikasi Ilmiah Nusantara

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70716/purechem.v1i2.361

Abstract

Spent coffee grounds represent an abundant agro-industrial waste that still contain valuable phenolic compounds, particularly chlorogenic acid (CGA), yet remain largely underutilized. This study aimed to isolate and tentatively identify CGA from Arabica spent coffee grounds using a stepwise separation approach. Dried coffee grounds were extracted by maceration with 70% ethanol. The resulting crude extract was subsequently fractionated by liquid–liquid extraction using an ethyl acetate–water solvent system to separate components based on polarity. The polar fraction was further purified by silica gel column chromatography employing a gradient elution system. Selected fractions were monitored by thin-layer chromatography (TLC) and analyzed by high-performance liquid chromatography (HPLC) using a C18 column with UV detection at 325 nm. HPLC analysis revealed a dominant peak with a retention time consistent with that of a chlorogenic acid standard analyzed under identical chromatographic conditions, accompanied by a relatively symmetrical peak profile. Based on this chromatographic behavior, the isolated compound was tentatively identified as chlorogenic acid. Quantitative determination using an external standard calibration curve indicated that the CGA content in the selected fraction ranged from 18 to 20 mg per gram of dry extract. Overall, the combination of ethanol extraction, liquid–liquid fractionation, column chromatography, and HPLC analysis provides an effective and reproducible approach for obtaining CGA-enriched fractions from spent coffee grounds and supports the valorization of coffee waste as a sustainable source of bioactive phenolic compounds.
Analisis Kandungan Kadmium (Cd), Seng (Zn), dan Mangan (Mn) pada Buah Stroberi (Fragaria × ananassa) serta Karakterisasi Ketersediaan Hayati Logam di Tanah Vulkanik Pertanian Sembalun Herry Abdullah; Irman Supryandi; Khairul Fuad
Pure Chemistry Research Vol. 1 No. 2: Pure Chemistry Research, December 2025
Publisher : Lembaga Publikasi Ilmiah Nusantara

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70716/purechem.v1i2.362

Abstract

This study aimed to determine the concentrations of cadmium (Cd), zinc (Zn), and manganese (Mn) in strawberry fruits (Fragaria × ananassa) and to characterize the bioavailability of these metals in volcanic soils from a major strawberry-growing area in Sembalun, Lombok Island, Indonesia. Fruit and soil samples were collected from five cultivation sites representing local agroecological variability. Metal concentrations were analyzed using Atomic Absorption Spectrophotometry (AAS) following wet digestion, while soil metal bioavailability was assessed using the DTPA extraction method. Supporting soil chemical properties, including pH and organic matter content, were also measured to aid interpretation. The results indicated that Cd concentrations in strawberry fruits were low and did not exceed internationally recommended maximum limits, whereas Zn and Mn were detected within ranges commonly reported for horticultural crops. Volcanic soils from Sembalun exhibited relatively low Cd-DTPA fractions compared with Zn and Mn. Pearson correlation analysis revealed positive relationships between DTPA-extractable Zn and Mn in soils and their corresponding concentrations in fruits, while Cd accumulation appeared more strongly influenced by variations in soil chemical conditions. Overall, these findings suggest that metal bioavailability, particularly for essential micronutrients, plays an important role in controlling metal accumulation in strawberry fruits grown on volcanic soils. This study provides a scientific basis for soil quality evaluation and for the monitoring of strawberry production systems in volcanic agricultural environments, while acknowledging the spatial and temporal limitations of the present investigation.

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