Simplified Method to Optimize Enzymatic Esters Syntheses in Solvent-Free Systems: Validation Using Literature and Experimental Data

The adoption of biocatalysis in solvent-free systems is an alternative to establish a greener esters production. An interesting correlation between the acid:alcohol molar ratio and biocatalyst (immobilized lipase) loading in the optimization of ester syntheses in solvent-free systems had been observ...

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Autores principales:	Ronaldo Rodrigues de Sousa, Ayla Sant’Ana da Silva, Roberto Fernandez-Lafuente, Viridiana Santana Ferreira-Leitão
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	immobilized lipases solvent-free reactions enzymatic esterification esters Chemical technology TP1-1185 Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/f366cb1791074985bf343f1a441d83da
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spelling	oai:doaj.org-article:f366cb1791074985bf343f1a441d83da2021-11-25T17:06:16ZSimplified Method to Optimize Enzymatic Esters Syntheses in Solvent-Free Systems: Validation Using Literature and Experimental Data10.3390/catal111113572073-4344https://doaj.org/article/f366cb1791074985bf343f1a441d83da2021-11-01T00:00:00Zhttps://www.mdpi.com/2073-4344/11/11/1357https://doaj.org/toc/2073-4344The adoption of biocatalysis in solvent-free systems is an alternative to establish a greener esters production. An interesting correlation between the acid:alcohol molar ratio and biocatalyst (immobilized lipase) loading in the optimization of ester syntheses in solvent-free systems had been observed and explored. A simple mathematical tool named Substrate-Enzyme Relation (SER) has been developed, indicating a range of reaction conditions that resulted in high conversions. Here, SER utility has been validated using data from the literature and experimental assays, totalizing 39 different examples of solvent-free enzymatic esterifications. We found a good correlation between the SER trends and reaction conditions that promoted high conversions on the syntheses of short, mid, or long-chain esters. Moreover, the predictions obtained with SER are coherent with thermodynamic and kinetics aspects of enzymatic esterification in solvent-free systems. SER is an easy-to-handle tool to predict the reaction behavior, allowing obtaining optimum reaction conditions with a reduced number of experiments, including the adoption of reduced biocatalysts loadings.Ronaldo Rodrigues de SousaAyla Sant’Ana da SilvaRoberto Fernandez-LafuenteViridiana Santana Ferreira-LeitãoMDPI AGarticleimmobilized lipasessolvent-free reactionsenzymatic esterificationestersChemical technologyTP1-1185ChemistryQD1-999ENCatalysts, Vol 11, Iss 1357, p 1357 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	immobilized lipases solvent-free reactions enzymatic esterification esters Chemical technology TP1-1185 Chemistry QD1-999
spellingShingle	immobilized lipases solvent-free reactions enzymatic esterification esters Chemical technology TP1-1185 Chemistry QD1-999 Ronaldo Rodrigues de Sousa Ayla Sant’Ana da Silva Roberto Fernandez-Lafuente Viridiana Santana Ferreira-Leitão Simplified Method to Optimize Enzymatic Esters Syntheses in Solvent-Free Systems: Validation Using Literature and Experimental Data
description	The adoption of biocatalysis in solvent-free systems is an alternative to establish a greener esters production. An interesting correlation between the acid:alcohol molar ratio and biocatalyst (immobilized lipase) loading in the optimization of ester syntheses in solvent-free systems had been observed and explored. A simple mathematical tool named Substrate-Enzyme Relation (SER) has been developed, indicating a range of reaction conditions that resulted in high conversions. Here, SER utility has been validated using data from the literature and experimental assays, totalizing 39 different examples of solvent-free enzymatic esterifications. We found a good correlation between the SER trends and reaction conditions that promoted high conversions on the syntheses of short, mid, or long-chain esters. Moreover, the predictions obtained with SER are coherent with thermodynamic and kinetics aspects of enzymatic esterification in solvent-free systems. SER is an easy-to-handle tool to predict the reaction behavior, allowing obtaining optimum reaction conditions with a reduced number of experiments, including the adoption of reduced biocatalysts loadings.
format	article
author	Ronaldo Rodrigues de Sousa Ayla Sant’Ana da Silva Roberto Fernandez-Lafuente Viridiana Santana Ferreira-Leitão
author_facet	Ronaldo Rodrigues de Sousa Ayla Sant’Ana da Silva Roberto Fernandez-Lafuente Viridiana Santana Ferreira-Leitão
author_sort	Ronaldo Rodrigues de Sousa
title	Simplified Method to Optimize Enzymatic Esters Syntheses in Solvent-Free Systems: Validation Using Literature and Experimental Data
title_short	Simplified Method to Optimize Enzymatic Esters Syntheses in Solvent-Free Systems: Validation Using Literature and Experimental Data
title_full	Simplified Method to Optimize Enzymatic Esters Syntheses in Solvent-Free Systems: Validation Using Literature and Experimental Data
title_fullStr	Simplified Method to Optimize Enzymatic Esters Syntheses in Solvent-Free Systems: Validation Using Literature and Experimental Data
title_full_unstemmed	Simplified Method to Optimize Enzymatic Esters Syntheses in Solvent-Free Systems: Validation Using Literature and Experimental Data
title_sort	simplified method to optimize enzymatic esters syntheses in solvent-free systems: validation using literature and experimental data
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/f366cb1791074985bf343f1a441d83da
work_keys_str_mv	AT ronaldorodriguesdesousa simplifiedmethodtooptimizeenzymaticesterssynthesesinsolventfreesystemsvalidationusingliteratureandexperimentaldata AT aylasantanadasilva simplifiedmethodtooptimizeenzymaticesterssynthesesinsolventfreesystemsvalidationusingliteratureandexperimentaldata AT robertofernandezlafuente simplifiedmethodtooptimizeenzymaticesterssynthesesinsolventfreesystemsvalidationusingliteratureandexperimentaldata AT viridianasantanaferreiraleitao simplifiedmethodtooptimizeenzymaticesterssynthesesinsolventfreesystemsvalidationusingliteratureandexperimentaldata
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Simplified Method to Optimize Enzymatic Esters Syntheses in Solvent-Free Systems: Validation Using Literature and Experimental Data

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