Simão Neto Francisco, da Silva Sousa Patrick, Melo Rafael Leandro Fernandes, Gama Cavalcante Antônio Luthierre, Gonçalves de Sousa Junior Paulo, Marciano Sara Jessica, Lomonaco Diego, Dantas Valença Raniere, do Carmo Frederico Ribeiro, de Mattos Marcos Carlos, Rios Maria Alexsandra de Sousa, Roni de Souza Paulo, da Fonseca Aluísio Marques, Sanders Lopes Ada, Sousa Dos Santos José Cleiton
Departamento de Engenharia Química, Universidade Federal do Ceará, Fortaleza, CE 60455-760, Brasil.
Departamento de Engenharia Metalúrgica e de Materiais, Universidade Federal do Ceará, Campus do Pici, Fortaleza, CE 60714-903, Brasil.
ACS Omega. 2025 May 20;10(21):21361-21376. doi: 10.1021/acsomega.4c11707. eCollection 2025 Jun 3.
This study focused on optimizing the enzymatic synthesis of biolubricants using a 20% blend of Nile tilapia () and neem () oils catalyzed by Eversa Transform 2.0. The optimal conditionsthe molar ratio of 1:5 (mol/mol), 10% biocatalyst load, and a reaction time of 48 hachieved a predicted ester conversion of 97%, with experimental validation confirming 92.80 ± 0.03%. Molecular docking demonstrated stable complexes, particularly with decanoic and linoleic acids, showing Root Mean Square Deviation (RMSD) values below 2.0 Å, indicating minimal conformational changes. Gas chromatography and mass spectrometry (GC-MS) analysis identified key esters like 2-ethylhexyl and octyl, which enhance thermal stability, lubricity, and oxidation resistance. Fourier Transform Infrared Spectroscopy (FT-IR) analysis confirmed effective ester formation, corroborating experimental results. Viscosity (2.4511 mm/s) and density (0.84259 g/cm) values aligned with ISO VG 3 (International Organization for Standardization Viscosity Grade) standards, suitable for low-load and low-speed applications.
本研究聚焦于利用Eversa Transform 2.0催化尼罗罗非鱼（）和印楝（）油20%的混合物来优化生物润滑剂的酶促合成。最佳条件——1:5（摩尔/摩尔）的摩尔比、10%的生物催化剂负载量以及48小时的反应时间——实现了预测的97%的酯转化率，实验验证结果为92.80±0.03%。分子对接显示出稳定的复合物，特别是与癸酸和亚油酸形成的复合物，其均方根偏差（RMSD）值低于2.0 Å，表明构象变化最小。气相色谱和质谱（GC-MS）分析鉴定出关键酯类，如2-乙基己酯和辛酯，这些酯类可提高热稳定性、润滑性和抗氧化性。傅里叶变换红外光谱（FT-IR）分析证实了有效酯的形成，佐证了实验结果。粘度（2.4511 mm/s）和密度（0.84259 g/cm）值符合ISO VG 3（国际标准化组织粘度等级）标准，适用于低负荷和低速应用。
