Mechanistic studies of a lipase unveil effect of pH on hydrolysis products of small PET modules
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Otros documentos de la autoría: Świderek, Katarzyna; Velasco-Lozano, Susana; Galmés, Miquel À; Olazabal, Ion; Sardon, Haritz; López Gallego, Fernando; Moliner, Vicent
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Título
Mechanistic studies of a lipase unveil effect of pH on hydrolysis products of small PET modulesAutoría
Fecha de publicación
2023-06-15Editor
Springer NatureISSN
2041-1723Cita bibliográfica
Świderek, K., Velasco-Lozano, S., Galmés, M.À. et al. (2023) Mechanistic studies of a lipase unveil effect of pH on hydrolysis products of small PET modules. Nat Commun 14, 3556 .Tipo de documento
info:eu-repo/semantics/articleVersión
info:eu-repo/semantics/publishedVersionPalabras clave / Materias
Resumen
Biocatalysis is a key technology enabling plastic recycling. However, despite advances done in the development of plastic-degrading enzymes, the molecular mechanisms that govern their catalytic performance are poorly ... [+]
Biocatalysis is a key technology enabling plastic recycling. However, despite advances done in the development of plastic-degrading enzymes, the molecular mechanisms that govern their catalytic performance are poorly understood, hampering the engineering of more efficient enzyme-based technologies. In this work, we study the hydrolysis of PET-derived diesters and PET trimers catalyzed by the highly promiscuous lipase B from Candida antarctica (CALB) through QM/MM molecular dynamics simulations supported by experimental Michaelis–Menten kinetics. The computational studies reveal the role of the pH on the CALB regioselectivity toward the hydrolysis of bis-(hydroxyethyl) terephthalate (BHET). We exploit this insight to perform a pH-controlled biotransformation that selectively hydrolyzes BHET to either its corresponding diacid or monoesters using both soluble and immobilized CALB. The discoveries presented here can be exploited for the valorization of BHET resulting from the organocatalytic depolymerization of PET. [-]
Publicado en
Nature Communications, Vol. 14 (2023)Entidad financiadora
Agencia Estatal de Investigación (AEI) | Generalitat Valenciana | Universitat Jaume I
Código del proyecto o subvención
PID2021–123332OB-C21, PID2021–124811OB-I00, PID2019–107098RJ-I00 | CIPROM/2021/079, SEJI/2020/007 | UJI-A2019-04, UJI-B2020-03
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Derechos de acceso
info:eu-repo/semantics/openAccess
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