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Journal : Al-Kimia

Seleksi Sel Bakteri Dari Minyak Bumi Sebagai Molekul Pengenal Dalam Biosensor Benzena Alfiah Alif; Dyah Iswantini; Henny Purwaningsih; Novik Nurhidayat; Amalyah Febryanti
Al-Kimia Vol 9 No 2 (2021): DESEMBER
Publisher : Study Program of Chemistry - Alauddin State Islamic University of Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/al-kimia.v9i2.24378

Abstract

Benzene is one of the harmful compounds which can affect both healthcare and environmental quality. Conventionally the effort of detecting this compound still requires several sample pre-treatments, contributing to a long analysis time and sophisticated instrumentation. Therefore, this study was aimed to determine the potency of bacteria as the bioreceptor for detecting benzene electrochemically. The bacteria isolate was immobilized on the working electrode surface. Four bacteria isolates from the petroleum sample were evaluated. The results showed that isolate II produced high oxidation and reduction peak currents as much as 150 µA and -490 µA respectively. The selected bacteria showed characteristics to Pseudomonas sp. physiologically. Since the bacteria can degrade benzene, thus hypothetically it can produce benzene dioxygenase. Through the catechol formation, 3 mM benzene produced 108.7 µA after 11.4 s from the starting scan. This result suggested that the excreted enzyme from the selected bacteria could react with benzene enzymatically.
Studi Teoritis Derivat 4,5-Difenil Imidazol Sebagai Inhibitor Korosi Besi dengan Teori Fungsi Kerapatan (DFT) Baari, Muhamad Jalil; Alif, Alfiah; Kurniawan, Muhammad Akbar S; Finarisnawati, Finarisnawati
Al-Kimia Vol 12 No 1 (2024): JUNE
Publisher : Study Program of Chemistry - Alauddin State Islamic University of Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/al-kimia.v12i1.43475

Abstract

Corrosion is a severe problem in the petroleum industry. The use of corrosion inhibitors is an effort to reduce the corrosion rate on metal materials. This study used the computational chemistry approach to investigate the corrosion inhibition performances of 4,5-diphenyl imidazole and its derivatives with additional substituents, for instance, electron acceptors and electron donors. Geometry optimizations and calculations of molecular frontier orbital energies were conducted using density functional theory (DFT) in the aqueous phase. These frontier orbital energy values were used to determine other reactivity and stability parameters, such as band gap energy, electron affinity, ionization potential, chemical hardness, chemical softness, number of electron transfers, chemical potential, nucleophilicity, electrophilicity, electronegativity, back donation energy, and interaction energy. Electrostatic potential, Mulliken atomic charge, and theoretical inhibition efficiency of 4,5-diphenyl imidazole derivatives were also determined. Generally, the presence of electron donor substituents theoretically increases corrosion inhibitors. The 4,5-diphenyl imidazole with –NH2 substituent is a better derivative than others based on several reactivity and stability parameters due to adding adsorption centers. Therefore, it can increase the performance of 4,5-diphenyl imidazole as a corrosion inhibitor. The adsorption behaviors of 4,5-diphenyl imidazole and its derivatives on Fe(100) surfaces were investigated using molecular dynamics simulation. The binding energies of three types of inhibitors on the Fe surface of studied inhibitors followed the order: D–NH2 > 4,5-diphenyl imidazole (D) > D–NO2. This ranking obtained is consistent with the theoretical inhibition efficiency.