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Control Strategies of Plastic Biodegradation through Adjusting Additives Ratios Using In Silico Approaches Associated with Proportional Factorial Experimental Design

Plastics, as a polymer material, have long been a source of environmental concern. This paper uses polystyrene plastics as the research object, and the relative contribution of each component of plastic additives to plastic degradation is screened using the molecular dynamics method. The factorial e...

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Autores principales: Zhang, Haigang, Hou, Yilin, Zhao, Wenjin, Na, Hui
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9102786/
https://www.ncbi.nlm.nih.gov/pubmed/35565062
http://dx.doi.org/10.3390/ijerph19095670
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author Zhang, Haigang
Hou, Yilin
Zhao, Wenjin
Na, Hui
author_facet Zhang, Haigang
Hou, Yilin
Zhao, Wenjin
Na, Hui
author_sort Zhang, Haigang
collection PubMed
description Plastics, as a polymer material, have long been a source of environmental concern. This paper uses polystyrene plastics as the research object, and the relative contribution of each component of plastic additives to plastic degradation is screened using the molecular dynamics method. The factorial experimental design method is combined with molecular dynamics simulation to adjust the additive composition scheme, analyze the mechanism of interaction between the additive components, and select the plastic additive combination that is most readily absorbed and degraded by microorganisms. Seven different types of plastic additives, including plasticizers, antioxidants, light and heat stabilizers, flame retardants, lubricants, and fillers, are chosen as external stimuli affecting the biodegradability of plastics. Using molecular dynamics simulation technology, it is demonstrated that plastic additives can promote the biodegradability of plastics. The factorial experimental design analysis revealed that all plastic additives can promote plastic biodegradation and plasticizer is the most favorable factor affecting plastic degradation, that hydrophobicity interactions are the primary reason for enhancing plastic degradation, and that screening No. 116–45 (plasticizer A, light stabilizer C, flame retardant E) is the most advantageous combination of biodegradable plastic additives. The plastic biodegradation effect regulation scheme proposed in this study is based on optimizing the proportion of additive components. To continue research on aquatic biodegradable plastics, the optimal combination of plastic components that can be absorbed and degraded by microorganisms is recommended.
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spelling pubmed-91027862022-05-14 Control Strategies of Plastic Biodegradation through Adjusting Additives Ratios Using In Silico Approaches Associated with Proportional Factorial Experimental Design Zhang, Haigang Hou, Yilin Zhao, Wenjin Na, Hui Int J Environ Res Public Health Article Plastics, as a polymer material, have long been a source of environmental concern. This paper uses polystyrene plastics as the research object, and the relative contribution of each component of plastic additives to plastic degradation is screened using the molecular dynamics method. The factorial experimental design method is combined with molecular dynamics simulation to adjust the additive composition scheme, analyze the mechanism of interaction between the additive components, and select the plastic additive combination that is most readily absorbed and degraded by microorganisms. Seven different types of plastic additives, including plasticizers, antioxidants, light and heat stabilizers, flame retardants, lubricants, and fillers, are chosen as external stimuli affecting the biodegradability of plastics. Using molecular dynamics simulation technology, it is demonstrated that plastic additives can promote the biodegradability of plastics. The factorial experimental design analysis revealed that all plastic additives can promote plastic biodegradation and plasticizer is the most favorable factor affecting plastic degradation, that hydrophobicity interactions are the primary reason for enhancing plastic degradation, and that screening No. 116–45 (plasticizer A, light stabilizer C, flame retardant E) is the most advantageous combination of biodegradable plastic additives. The plastic biodegradation effect regulation scheme proposed in this study is based on optimizing the proportion of additive components. To continue research on aquatic biodegradable plastics, the optimal combination of plastic components that can be absorbed and degraded by microorganisms is recommended. MDPI 2022-05-06 /pmc/articles/PMC9102786/ /pubmed/35565062 http://dx.doi.org/10.3390/ijerph19095670 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Zhang, Haigang
Hou, Yilin
Zhao, Wenjin
Na, Hui
Control Strategies of Plastic Biodegradation through Adjusting Additives Ratios Using In Silico Approaches Associated with Proportional Factorial Experimental Design
title Control Strategies of Plastic Biodegradation through Adjusting Additives Ratios Using In Silico Approaches Associated with Proportional Factorial Experimental Design
title_full Control Strategies of Plastic Biodegradation through Adjusting Additives Ratios Using In Silico Approaches Associated with Proportional Factorial Experimental Design
title_fullStr Control Strategies of Plastic Biodegradation through Adjusting Additives Ratios Using In Silico Approaches Associated with Proportional Factorial Experimental Design
title_full_unstemmed Control Strategies of Plastic Biodegradation through Adjusting Additives Ratios Using In Silico Approaches Associated with Proportional Factorial Experimental Design
title_short Control Strategies of Plastic Biodegradation through Adjusting Additives Ratios Using In Silico Approaches Associated with Proportional Factorial Experimental Design
title_sort control strategies of plastic biodegradation through adjusting additives ratios using in silico approaches associated with proportional factorial experimental design
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9102786/
https://www.ncbi.nlm.nih.gov/pubmed/35565062
http://dx.doi.org/10.3390/ijerph19095670
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