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Title: Investigation of biologically-designed metal-specific chelators for potential metal recovery and waste remediation applications.

Abstract

Bacteria, algae and plants produce metal-specific chelators to capture required nutrient or toxic trace metals. Biological systems are thought to be very efficient, honed by evolutionary forces over time. Understanding the approaches used by living organisms to select for specific metals in the environment may lead to design of cheaper and more effective approaches for metal recovery and contaminant-metal remediation. In this study, the binding of a common siderophore, desferrioxamine B (DFO-B), to three aqueous metal cations, Fe(II), Fe(III), and UO{sub 2}(VI) was investigated using classical molecular dynamics. DFO-B has three acetohydroxamate groups and a terminal amine group that all deprotonate with increasing pH. For all three metals, complexes with DFO-B (-2) are the most stable and favored under alkaline conditions. Under more acidic conditions, the metal-DFO complexes involve chelation with both acetohydroxamate and acetylamine groups. The approach taken here allows for detailed investigation of metal binding to biologically-designed organic ligands.

Authors:
;
Publication Date:
Research Org.:
Sandia National Laboratories (SNL), Albuquerque, NM, and Livermore, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
976949
Report Number(s):
SAND2009-0239
TRN: US201009%%255
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; 99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; ALGAE; AMINES; BACTERIA; CATIONS; DESIGN; NUTRIENTS; WASTES; Chelates-Analysis.; Ligand binding (Biochemistry); Chelation.

Citation Formats

Criscenti, Louise Jacqueline, and Ockwig, Nathan W. Investigation of biologically-designed metal-specific chelators for potential metal recovery and waste remediation applications.. United States: N. p., 2009. Web. doi:10.2172/976949.
Criscenti, Louise Jacqueline, & Ockwig, Nathan W. Investigation of biologically-designed metal-specific chelators for potential metal recovery and waste remediation applications.. United States. https://doi.org/10.2172/976949
Criscenti, Louise Jacqueline, and Ockwig, Nathan W. 2009. "Investigation of biologically-designed metal-specific chelators for potential metal recovery and waste remediation applications.". United States. https://doi.org/10.2172/976949. https://www.osti.gov/servlets/purl/976949.
@article{osti_976949,
title = {Investigation of biologically-designed metal-specific chelators for potential metal recovery and waste remediation applications.},
author = {Criscenti, Louise Jacqueline and Ockwig, Nathan W},
abstractNote = {Bacteria, algae and plants produce metal-specific chelators to capture required nutrient or toxic trace metals. Biological systems are thought to be very efficient, honed by evolutionary forces over time. Understanding the approaches used by living organisms to select for specific metals in the environment may lead to design of cheaper and more effective approaches for metal recovery and contaminant-metal remediation. In this study, the binding of a common siderophore, desferrioxamine B (DFO-B), to three aqueous metal cations, Fe(II), Fe(III), and UO{sub 2}(VI) was investigated using classical molecular dynamics. DFO-B has three acetohydroxamate groups and a terminal amine group that all deprotonate with increasing pH. For all three metals, complexes with DFO-B (-2) are the most stable and favored under alkaline conditions. Under more acidic conditions, the metal-DFO complexes involve chelation with both acetohydroxamate and acetylamine groups. The approach taken here allows for detailed investigation of metal binding to biologically-designed organic ligands.},
doi = {10.2172/976949},
url = {https://www.osti.gov/biblio/976949}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jan 01 00:00:00 EST 2009},
month = {Thu Jan 01 00:00:00 EST 2009}
}