Inverse design of chemoenzymatic epoxidation of soyabean oil through artificial intelligence-driven experimental approach.

Nipon Sarmah, Vazida Mehtab, Kashmiri Borah, Aruna Palanisamy, Rajarathinam Parthasarathy, Sumana Chenna

Journal: Bioresource technology 2024;412():131405

PMID: 39222857

Full Text on Elsevier Science View on PubMed

Abstract

This paper presents an inverse design methodology that utilizes artificial intelligence (AI)-driven experiments to optimize the chemoenzymatic epoxidation of soyabean oil using hydrogen peroxide and lipase (Novozym 435). First, experiments are conducted using a systematic 3-level, 5-factor Box-Behnken design to explore the effect of input parameters on oxirane oxygen content (OOC (%)). Based on these experiments, various AI models are trained, with the support vector regression (SVR) model being found to be the most accurate. SVR is then used as a fitness function in particle swarm optimization, and the suggested optimal conditions, upon experimental validation, resulted in a maximum OOC of 7.19 % (∼98.5 % relative conversion of oil to epoxy). The results demonstrate the superiority of the proposed approach over existing methods. This framework offers a general intensified process optimization strategy with minimal resource utilization that can be applied to any other process.

Address: Chemical Engineering & Process Technology, CSIR-Indian Institute of Chemical Technology, Hyderabad 500007, India; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201002, India; Department of Chemical and Environmental Engineering, School of Engineering, RMIT University, Melbourne VIC - 3001, Australia.; Chemical Engineering & Process Technology, CSIR-Indian Institute of Chemical Technology, Hyderabad 500007, India; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201002, India.; Polymers & Functional Materials, CSIR-Indian Institute of Chemical Technology, Hyderabad 500007, India; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201002, India.; Polymers & Functional Materials, CSIR-Indian Institute of Chemical Technology, Hyderabad 500007, India.; Department of Chemical and Environmental Engineering, School of Engineering, RMIT University, Melbourne VIC - 3001, Australia.; Chemical Engineering & Process Technology, CSIR-Indian Institute of Chemical Technology, Hyderabad 500007, India; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201002, India. Electronic address: [email protected].

DOI: 10.1016/j.biortech.2024.131405

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MeSH Terms: Lipase, Artificial Intelligence, Epoxy Compounds, Soybean Oil, Hydrogen Peroxide, Enzymes, Immobilized, Fungal Proteins