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Title: Structure and dynamics of microbe-exuded polymers and their interactions with calcite surfaces.

Abstract

Cation binding by polysaccharides is observed in many environments and is important for predictive environmental modeling, and numerous industrial and food technology applications. The complexities of these organo-cation interactions are well suited to predictive molecular modeling studies for investigating the roles of conformation and configuration of polysaccharides on cation binding. In this study, alginic acid was chosen as a model polymer and representative disaccharide and polysaccharide subunits were modeled. The ability of disaccharide subunits to bind calcium and to associate with the surface of calcite was investigated. The findings were extended to modeling polymer interactions with calcium ions.

Authors:
;  [1];  [1]
  1. (Harvard University, Cambridge, MA)
Publication Date:
Research Org.:
Sandia National Laboratories
Sponsoring Org.:
USDOE
OSTI Identifier:
883482
Report Number(s):
SAND2005-7941
TRN: US0603452
DOE Contract Number:
AC04-94AL85000
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ALGINIC ACID; CALCITE; CALCIUM; CALCIUM IONS; CATIONS; CONFIGURATION; DISACCHARIDES; FOOD; POLYMERS; POLYSACCHARIDES; SIMULATION; Geochemical modeling.; Polysaccharides-Periodicals.; Molecular structure.

Citation Formats

Cygan, Randall Timothy, Mitchell, Ralph, and Perry, Thomas D. Structure and dynamics of microbe-exuded polymers and their interactions with calcite surfaces.. United States: N. p., 2005. Web. doi:10.2172/883482.
Cygan, Randall Timothy, Mitchell, Ralph, & Perry, Thomas D. Structure and dynamics of microbe-exuded polymers and their interactions with calcite surfaces.. United States. doi:10.2172/883482.
Cygan, Randall Timothy, Mitchell, Ralph, and Perry, Thomas D. Thu . "Structure and dynamics of microbe-exuded polymers and their interactions with calcite surfaces.". United States. doi:10.2172/883482. https://www.osti.gov/servlets/purl/883482.
@article{osti_883482,
title = {Structure and dynamics of microbe-exuded polymers and their interactions with calcite surfaces.},
author = {Cygan, Randall Timothy and Mitchell, Ralph and Perry, Thomas D.},
abstractNote = {Cation binding by polysaccharides is observed in many environments and is important for predictive environmental modeling, and numerous industrial and food technology applications. The complexities of these organo-cation interactions are well suited to predictive molecular modeling studies for investigating the roles of conformation and configuration of polysaccharides on cation binding. In this study, alginic acid was chosen as a model polymer and representative disaccharide and polysaccharide subunits were modeled. The ability of disaccharide subunits to bind calcium and to associate with the surface of calcite was investigated. The findings were extended to modeling polymer interactions with calcium ions.},
doi = {10.2172/883482},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Dec 01 00:00:00 EST 2005},
month = {Thu Dec 01 00:00:00 EST 2005}
}

Technical Report:

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