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All Journal Fullerene Journal of Chemistry Jurnal Pendidikan, Sains, Geologi, dan Geofisika (GeoScienceEd Journal)
Hikmah, Nawwal
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Agriculture, Biological Sciences & Forestry Chemistry Education Physics

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Studi Biofisika dan Kimia Molekuler terhadap Termostabilitas Enzim PETase melalui Simulasi Dinamika Molekuler Multitemperatur Rasjava, Achmad Ramadhanna'il; Oktafiansyah, Rahmad; Susilo, Tanto Budi; Hikmah, Nawwal
Jurnal Pendidikan, Sains, Geologi, dan Geofisika (GeoScienceEd Journal) Vol. 6 No. 3 (2025): Agustus
Publisher : Mataram University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/goescienceed.v6i3.1214

Abstract

Pencemaran plastik akibat akumulasi poli(etilena tereftalat) (PET) menjadi tantangan lingkungan global yang mendesak. Enzim PETase memiliki potensi dalam upaya bioremediasi plastik melalui proses degradasi enzimatis, namun aplikasinya masih terkendala oleh rendahnya stabilitas termal. Penelitian ini bertujuan untuk mengevaluasi stabilitas struktural dan termodinamika enzim PETase pada berbagai variasi temperatur menggunakan metode simulasi dinamika molekuler (molecular dynamics/MD) berbasis perangkat lunak GROMACS. Perlakuan temperatur yang digunakan meliputi 300 K, 310 K, 373 K, 440 K, dan 500 K untuk merepresentasikan kondisi temperatur ruang, fisiologis, hingga ekstrem. Analisis dilakukan terhadap parameter RMSD, RMSF, radius girasi (Rg), jumlah ikatan hidrogen, luas permukaan yang dapat diakses pelarut (solvent accessible surface area, SASA), energi total sistem, serta evaluasi konformasi visual melalui snapshot struktur 3D. Hasil simulasi menunjukkan bahwa PETase tetap stabil pada 300 K dan 310 K, namun mulai mengalami destabilisasi struktural pada 373 K. Perubahan struktural yang signifikan, termasuk unfolding protein dan peningkatan paparan permukaan hidrofobik, diamati pada 440 K dan 500 K. Studi ini memberikan informasi biofisika molekuler penting terkait batas toleransi termal PETase, yang dapat menjadi referensi dalam pengembangan varian enzim dengan termostabilitas yang lebih tinggi untuk aplikasi bioteknologi lingkungan.
Potential of Moringa oleifera Seeds as a Natural Coagulant for Turbidity and LAS Removal from Detergent Wastewater Arfan, Aulia Rhamdani; Irawati, Utami; Indah, Rahma; Hikmah, Nawwal
Jurnal Kimia Fullerene Vol 10 No 2 (2025): Fullerene Journal Of Chemistry
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.37033/fjc.v10i2.748

Abstract

Detergent wastewater contains high levels of surfactants, particularly Linear Alkylbenzene Sulfonate (LAS), which are persistent and harmful to aquatic ecosystems. This study evaluated the potential of Moringa oleifera seed extract (MOS) as a natural coagulant for detergent wastewater, compared with alum as a synthetic coagulant. The coagulation process was carried out using the jar test method at varying dosages (100–1500 mg/L) and pH levels (4–9). Turbidity was measured following SNI 06-6989.25-2005, while LAS concentration was analysed using the Methylene Blue Active Substances (MBAS) method. Results showed that MOS achieved optimum performance at 1500 mg/L and pH 4, with a turbidity removal efficiency of 94.96% (final turbidity 4.76 NTU) and LAS removal efficiency of 88.94% (final concentration 0.58 mg/L). In comparison, alum reached its optimum at 200 mg/L and pH 6, with lower LAS removal efficiency. Validation with wastewater samples stored for 1–3 nights indicated that MOS maintained consistent performance, while alum showed fluctuating results. An in-silico docking study further confirmed the molecular interaction between LAS and MOS proteins, with a binding energy of –4.8 kcal/mol, supporting the observed experimental results. These findings demonstrate that MOS is a promising, low-cost, and environmentally friendly alternative to alum for detergent wastewater treatment.
Co-Authors Arfan, Aulia Rhamdani Indah, Rahma Oktafiansyah, Rahmad Rasjava, Achmad Ramadhanna'il Susilo, Tanto Budi Utami Irawati