Modeling molecular structure and behavior of microbial extracellular polymeric substances through interacting-particle reaction dynamics

Extracellular polymeric substances (EPS) are essential for bacteria to interact with external environments and play a key role in the formation of microbial aggregates. Unveiling the black box of EPS has become an urgent topic in the field of microbiology, medical science and environmental science....

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Run-Ze Xu, Jia-Shun Cao, Ganyu Feng, Jing-Yang Luo, Yang Wu, Bing-Jie Ni, Fang Fang
Formato:	article
Lenguaje:	EN
Publicado:	Elsevier 2021
Materias:	extracellular polymeric substances interacting-particle reaction dynamics computational biology extraction microbial aggregates averaged concentration representation method Chemical engineering TP155-156
Acceso en línea:	https://doaj.org/article/8ef55c9db92d48b09dad5a1886bf1dbd
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:8ef55c9db92d48b09dad5a1886bf1dbd
record_format	dspace
spelling	oai:doaj.org-article:8ef55c9db92d48b09dad5a1886bf1dbd2021-11-18T04:52:50ZModeling molecular structure and behavior of microbial extracellular polymeric substances through interacting-particle reaction dynamics2666-821110.1016/j.ceja.2021.100154https://doaj.org/article/8ef55c9db92d48b09dad5a1886bf1dbd2021-11-01T00:00:00Zhttp://www.sciencedirect.com/science/article/pii/S2666821121000703https://doaj.org/toc/2666-8211Extracellular polymeric substances (EPS) are essential for bacteria to interact with external environments and play a key role in the formation of microbial aggregates. Unveiling the black box of EPS has become an urgent topic in the field of microbiology, medical science and environmental science. Here, we develop an explicit approach to describe the molecular structure and behaviors of EPS using interacting-particle reaction dynamics (iPRD). Three representative states of EPS (i.e., normal EPS layer, metal bridging EPS layer and extracted EPS layer) are qualitatively simulated at molecular scale and validated with previous research results on EPS. Furthermore, an averaged concentration representation method is proposed to quantitatively model the EPS-oriented bioprocesses. Through this method, the contents of protein and polysaccharide in EPS extracted by cation exchange resin are accurately predicted by our model (R2>0.982). This work gives new insights into EPS at the molecular scale and opens up new avenues for further exploring and modeling complex molecular structure and behaviors of EPS.Run-Ze XuJia-Shun CaoGanyu FengJing-Yang LuoYang WuBing-Jie NiFang FangElsevierarticleextracellular polymeric substancesinteracting-particle reaction dynamicscomputational biologyextractionmicrobial aggregatesaveraged concentration representation methodChemical engineeringTP155-156ENChemical Engineering Journal Advances, Vol 8, Iss , Pp 100154- (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	extracellular polymeric substances interacting-particle reaction dynamics computational biology extraction microbial aggregates averaged concentration representation method Chemical engineering TP155-156
spellingShingle	extracellular polymeric substances interacting-particle reaction dynamics computational biology extraction microbial aggregates averaged concentration representation method Chemical engineering TP155-156 Run-Ze Xu Jia-Shun Cao Ganyu Feng Jing-Yang Luo Yang Wu Bing-Jie Ni Fang Fang Modeling molecular structure and behavior of microbial extracellular polymeric substances through interacting-particle reaction dynamics
description	Extracellular polymeric substances (EPS) are essential for bacteria to interact with external environments and play a key role in the formation of microbial aggregates. Unveiling the black box of EPS has become an urgent topic in the field of microbiology, medical science and environmental science. Here, we develop an explicit approach to describe the molecular structure and behaviors of EPS using interacting-particle reaction dynamics (iPRD). Three representative states of EPS (i.e., normal EPS layer, metal bridging EPS layer and extracted EPS layer) are qualitatively simulated at molecular scale and validated with previous research results on EPS. Furthermore, an averaged concentration representation method is proposed to quantitatively model the EPS-oriented bioprocesses. Through this method, the contents of protein and polysaccharide in EPS extracted by cation exchange resin are accurately predicted by our model (R2>0.982). This work gives new insights into EPS at the molecular scale and opens up new avenues for further exploring and modeling complex molecular structure and behaviors of EPS.
format	article
author	Run-Ze Xu Jia-Shun Cao Ganyu Feng Jing-Yang Luo Yang Wu Bing-Jie Ni Fang Fang
author_facet	Run-Ze Xu Jia-Shun Cao Ganyu Feng Jing-Yang Luo Yang Wu Bing-Jie Ni Fang Fang
author_sort	Run-Ze Xu
title	Modeling molecular structure and behavior of microbial extracellular polymeric substances through interacting-particle reaction dynamics
title_short	Modeling molecular structure and behavior of microbial extracellular polymeric substances through interacting-particle reaction dynamics
title_full	Modeling molecular structure and behavior of microbial extracellular polymeric substances through interacting-particle reaction dynamics
title_fullStr	Modeling molecular structure and behavior of microbial extracellular polymeric substances through interacting-particle reaction dynamics
title_full_unstemmed	Modeling molecular structure and behavior of microbial extracellular polymeric substances through interacting-particle reaction dynamics
title_sort	modeling molecular structure and behavior of microbial extracellular polymeric substances through interacting-particle reaction dynamics
publisher	Elsevier
publishDate	2021
url	https://doaj.org/article/8ef55c9db92d48b09dad5a1886bf1dbd
work_keys_str_mv	AT runzexu modelingmolecularstructureandbehaviorofmicrobialextracellularpolymericsubstancesthroughinteractingparticlereactiondynamics AT jiashuncao modelingmolecularstructureandbehaviorofmicrobialextracellularpolymericsubstancesthroughinteractingparticlereactiondynamics AT ganyufeng modelingmolecularstructureandbehaviorofmicrobialextracellularpolymericsubstancesthroughinteractingparticlereactiondynamics AT jingyangluo modelingmolecularstructureandbehaviorofmicrobialextracellularpolymericsubstancesthroughinteractingparticlereactiondynamics AT yangwu modelingmolecularstructureandbehaviorofmicrobialextracellularpolymericsubstancesthroughinteractingparticlereactiondynamics AT bingjieni modelingmolecularstructureandbehaviorofmicrobialextracellularpolymericsubstancesthroughinteractingparticlereactiondynamics AT fangfang modelingmolecularstructureandbehaviorofmicrobialextracellularpolymericsubstancesthroughinteractingparticlereactiondynamics
_version_	1718424989661659136

Modeling molecular structure and behavior of microbial extracellular polymeric substances through interacting-particle reaction dynamics

Ejemplares similares