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- W3201033438 startingPage "e1009262" @default.
- W3201033438 abstract "The processing of agricultural wastes towards extraction of renewable resources is recently being considered as a promising alternative to conventional biofuel production. The degradation of agricultural residues is a complex chemical process that is currently time intensive and costly. Various pre-treatment methods are being investigated to determine the subsequent modification of the material and the main obstacles in increasing the enzymatic saccharification. In this study, we present a computational model that complements the experimental approaches. We decipher how the three-dimensional structure of the substrate impacts the saccharification dynamics. We model a cell wall microfibril composed of cellulose and surrounded by hemicellulose and lignin, with various relative abundances and arrangements. This substrate is subjected to digestion by different cocktails of well characterized enzymes. The saccharification dynamics is simulated in silico using a stochastic procedure based on a Gillespie algorithm. As we additionally implement a fitting procedure that optimizes the parameters of the simulation runs, we are able to reproduce experimental saccharification time courses for corn stover. Our model highlights the synergistic action of enzymes, and confirms the linear decrease of sugar conversion when either lignin content or crystallinity of the substrate increases. Importantly, we show that considering the crystallinity of cellulose in addition to the substrate composition is essential to interpret experimental saccharification data. Finally, our findings support the hypothesis of xylan being partially crystalline." @default.
- W3201033438 created "2021-09-27" @default.
- W3201033438 creator A5017789412 @default.
- W3201033438 creator A5050021188 @default.
- W3201033438 date "2021-09-13" @default.
- W3201033438 modified "2023-10-12" @default.
- W3201033438 title "Stochastic model of lignocellulosic material saccharification" @default.
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- W3201033438 doi "https://doi.org/10.1371/journal.pcbi.1009262" @default.
- W3201033438 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8460048" @default.
- W3201033438 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34516546" @default.
- W3201033438 hasPublicationYear "2021" @default.
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