Quantum mechanical investigation of aqueous desferrioxamine B metal complexes: Trends in structure, binding, and infrared spectroscopy

Journal of Inorganic Biochemistry

Volumn 129, Issue , 2013, Pages 150-161

  Kruft, Bonnie I ^a   Harrington, James M ^b   Duckworth, Owen W ^b   Jarzȩcki, Andrzej A ^a  

^a CITY UNIVERSITY OF NEW YORK   (United States)

^b NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

Binding constants; Desferrioxamine B metal complexes; DFT calculations; EXAFS spectra; Vibrational spectra

Indexed keywords

CADMIUM; CHROMIUM; COBALT; CUPROUS ION; DEFEROXAMINE; IRON; LEAD; MANGANESE; MERCURY; METAL COMPLEX; NICKEL; SIDEROPHORE; TITANIUM; ZINC;

AQUEOUS SOLUTION; ARTICLE; BINDING AFFINITY; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENTROPY; HYDROGEN BOND; INFRARED SPECTROSCOPY; METAL BINDING; OXIDATION; PARTICLE SIZE; PH; PROTON TRANSPORT; QUANTUM MECHANICS; REPRODUCIBILITY; SOLVATION; STATIC ELECTRICITY; X RAY ABSORPTION SPECTROSCOPY;

BINDING CONSTANTS; DESFERRIOXAMINE B METAL COMPLEXES; DFT CALCULATIONS; EXAFS SPECTRA; VIBRATIONAL SPECTRA;

DEFEROXAMINE; METALS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SPECTROPHOTOMETRY, INFRARED;

EID: 84887497559     PISSN: 01620134     EISSN: 18733344     Source Type: Journal    
DOI: 10.1016/j.jinorgbio.2013.08.008     Document Type: Article

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