multivariate optimization in the biosynthesis of a triethanolamine (tea)-based esterquat cationic surfactant using an artificial neural network多变量优化生物合成的三乙醇胺(茶)的esterquat阳离子表面活性剂使用人工神经网络.pdfVIP

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multivariate optimization in the biosynthesis of a triethanolamine (tea)-based esterquat cationic surfactant using an artificial neural network多变量优化生物合成的三乙醇胺(茶)的esterquat阳离子表面活性剂使用人工神经网络.pdf

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multivariate optimization in the biosynthesis of a triethanolamine (tea)-based esterquat cationic surfactant using an artificial neural network多变量优化生物合成的三乙醇胺(茶)的esterquat阳离子表面活性剂使用人工神经网络

Molecules 2011, 16, 5538-5549; doi:10.3390/molecule OPEN ACCESS molecules ISSN 1420-3049 /journal/molecules Article Multivariate Optimization in the Biosynthesis of a Triethanolamine (TEA)-Based Esterquat Cationic Surfactant Using an Artificial Neural Network Hamid Reza Fard Masoumi, Anuar Kassim *, Mahiran Basri, Dzulkifly Kuang Abdullah and Mohd Jelas Haron Department of Chemistry, Faculty of Science, University Putra Malaysia, 43400, Selangor, Malaysia * Author to whom correspondence should be addressed; E-Mail: Anuar@.my; Tel.: +60-122-67-27-35; Fax: +60-894-25-38. Received: 21 April 2011; in revised form: 13 June 2011 / Accepted: 14 June 2011 / Published: 29 June 2011 Abstract: An Artificial Neural Network (ANN) based on the Quick Propagation (QP) algorithm was used in conjunction with an experimental design to optimize the lipase-catalyzed reaction conditions for the preparation of a triethanolamine (TEA)-based esterquat cationic surfactant. Using the best performing ANN, the optimum conditions predicted were an enzyme amount of 4.77 w/w%, reaction time of 24 h, reaction temperature of 61.9 °C, substrate (oleic acid: triethanolamine) molar ratio of 1:1 mole and agitation speed of 480 r.p.m. The relative deviation percentage under these conditions was less than 4%. The optimized method was successfully applied to the synthesis of the TEA-based esterquat cationic surfactant at a 2,000 mL