Optimizing biodegradable plastics: Molecular dynamics insights into starch plasticization with glycerol and oleic acid.
Amylose
Glycerol
Molecular dynamics simulations
Oleic acid
Plasticizers
Journal
Journal of molecular graphics & modelling
ISSN: 1873-4243
Titre abrégé: J Mol Graph Model
Pays: United States
ID NLM: 9716237
Informations de publication
Date de publication:
Jan 2024
Jan 2024
Historique:
received:
22
06
2023
revised:
05
11
2023
accepted:
14
11
2023
medline:
27
11
2023
pubmed:
21
11
2023
entrez:
20
11
2023
Statut:
ppublish
Résumé
Petroleum-based plastics dominate everyday life, necessitating the exploration of natural polymers as alternatives. Starch, abundant and biodegradable, is a promising raw material. However, understanding the molecular mechanisms underlying starch plasticization has proven challenging. To address this, we employ molecular dynamics simulations, focusing on amylose as a model. Our comprehensive evaluation revealed that chain size affects solubility, temperature influenced diffusivity and elastic properties, and oleic acid expressed potential as an alternative plasticizer. Furthermore, blending glycerol or oleic acid with water suggested the enhancement amylose's elasticity. These findings contribute to the design of sustainable and improved biodegradable plastics.
Identifiants
pubmed: 37984192
pii: S1093-3263(23)00272-3
doi: 10.1016/j.jmgm.2023.108674
pii:
doi:
Substances chimiques
Biodegradable Plastics
0
Starch
9005-25-8
Amylose
9005-82-7
Oleic Acid
2UMI9U37CP
Glycerol
PDC6A3C0OX
Plastics
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
108674Informations de copyright
Copyright © 2023 Elsevier Inc. All rights reserved.
Déclaration de conflit d'intérêts
Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.