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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
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. doi: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. doi: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},
journal = {},
number = ,
volume = ,
place = {United States},
year = 2009,
month = 1
}

Technical Report:

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  • Microorganisms -- bacteria, fungi, and microalgae -- can accumulate relatively large amounts of toxic heavy metals and radionuclides from the environment. These organisms often exhibit specificity for particular metals. The metal content of microbial biomass can be a substantial fraction of total dry weight with concentration factors (metal in dry biomass to metal in solution) exceeding one million in some cases. Both living and inert (dead) microbial biomass can be used to reduce heavy metal concentrations in contaminated waters to very low levels -- parts per billion and even lower. In many respects (e.g. specificity, residual metal concentrations, accumulation factors,more » and economics) microbial bioremoval processes can be superior to conventional processes, such as ion exchange and caustic (lime or hydroxide) precipitation for heavy metals removal from waste and contaminated waters. Thus, bioremoval could be developed to contribute to the clean-up of wastes at the Savannah River Site (SRS) and other DOE facilities. However, the potential advantages of bioremoval processes must still be developed into practical operating systems. A detailed review of the literature suggests that appropriate bioremoval processes could be developed for the SRS. There is great variability from one biomass source to another in bioremoval capabilities. Bioremoval is affected by pH, other ions, temperature, and many other factors. The biological (living vs. dead) and physical (immobilized vs. dispersed) characteristics of the biomass also greatly affect metal binding. Even subtle differences in the microbial biomass, such as the conditions under which it was cultivated, can have major effects on heavy metal binding.« less
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  • The suitabilities of various types of desiccants for potential use in the manner proposed - i.e., high temperature desiccation and low-temperature regeneration, - have been examined. It is concluded that by far the most appropriate are those of the soluble electrolyte type. Mechanistic computer-modelling of heat-engines of the type proposed-using regenerated desiccants as the sole source of heat, - has indicated that such devices have such a low power density as to be of no practical value. A thermodynamic analysis has shown that such engines are operating simply on the heat of dilution, which accounts for the poor results obtained.more » An amended arrangement, wherein the desiccant is used in place of conventional re-heat in power-generation has been studied. Thermodynamically this is shown to be more attractive, and computer-modelling indicates a potential saving of a few percent of primary fuel, but the economics are marginal. Desiccant regeneration by the use of waste-heat and pass-out steam, involving air-stripping and crystallization, is shown to be feasible. It is concluded, however, that desiccation as such is not the most potentially attractive method of utilization of availability so recovered. It is suggested that electrolytic cells may be more attractive. In an Addendum, a system of utilizing desiccant-type salts in the main boiler section of fossil-fired power-plant is proposed. The fuel- savings and economics are attractive, but potential problems of materials of construction are seen as requiring examination.« less
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