Computational modeling of azotobactin-goethite/diaspore interactions: Applications to molecular force measurements and siderophore-mineral reactivity

Chemical Geology

Volumn 216, Issue 1-2, 2005, Pages 17-35

  Kendall, Treavor A ^a,c   Hochella Jr , Michael F ^a   Becker, Udo ^b  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

^b UNIVERSITY OF MICHIGAN   (United States)

^c HARVARD UNIVERSITY   (United States)

Author keywords

AFM; Aluminum; Force measurements; Iron; Molecular mechanics

Indexed keywords

ALUMINUM; ATOMIC FORCE MICROSCOPY; CHEMICAL BONDING; DISSOLUTION; GOETHITE; IRON; SIDEROPHORE;

EID: 14244258228     PISSN: 00092541     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemgeo.2004.10.007     Document Type: Article

References (41)

1. A.-M. Albrecht-Gary A.L. Crumbliss Coordination chemistry of siderophores: Thermodynamics and kinetics of iron chelation and release In: A. Sigel H. Sigel (Eds.) Iron Transport and Storage in Microorganisms, Plants, and Animals Metal Ions in Biological Systems 1998 Marcel Dekker New York 239-327
2. W.R. Busing H.A. Levy A single-crystal neutron-diffraction study of diaspore, AlO(OH) Acta Crystallogr. 11 1958 798-803
3. B. Cappella G. Dietler Force-distance curves by atomic force microscopy Surf. Sci. Rep. 34 1999 1-104
4. S.-F. Cheah S.M. Kraemer J. Cervini-Silva G. Sposito Steady-state dissolution kinetics of goethite in the presence of desferrioxamine B and oxalate ligands: Implications for the microbial acquisition of iron Chem. Geol. 198 1-2 2003 63-75
5. C. Cocozza C.C.G. Tsao S.F. Cheah S.M. Kraemer K.N. Raymond T.M. Miano et al. Temperature dependence of goethite dissolution promoted by trihydroxamate siderophores Geochim. Cosmochim. Acta 66 3 2002 431-438
6. R.M. Cornell U. Schwertmann The Iron Oxides: Structure, Properties, Reactions, Occurrence and Uses 1996 VCH (573 pp.)
7. A.L. Crumbliss Aqueous solution equilibrium and kinetic studies of iron siderophore and model siderophore complexes In; G. Winkelmann (Ed.) CRC Handbook of Microbial Iron Chelates 1991 CRC Press Boston 177-235
8. R.T. Cygan Molecular modeling in mineralogy and geochemistry In: R.T. Cygan J.D. Kubicki (Eds.) Molecular Modeling Theory: Applications in the Geosciences Reviews in Mineralogy and Geochemistry 2001 Mineralogical Society of America, Geochemical Society Washington, D.C. 531
9. Frisch, M.J., Tomasi, J., Pople, J., 1998. Gaussian 98, Revision A.7. Gaussian.
10. J. Gale General Utility Lattice Program (GULP) 1998 Imperial College/ Royal Institution of Great Britain
11. A.F. Gualtieri P. Venturelli In situ study of the goethite-hematite phase transformation by real time synchrotron powder diffraction Am. Mineral. 84 5-6 1999 895-904
12. D.C. Hansen E. McCafferty C.W. Lins J.J. Fitzpatrick An FT-IR investigation of parabactin adsorbed onto aluminum Appl. Surf. Sci. 84 1 1995 85-90
13. S. Haussühl Thermoelastic properties of beryl, topaz, diaspore, sanidine and periclase Z. Kristallogr. 204 1993 67-76
14. B.P. Hay J.R. Rustad Structural criteria for the rational design of selective ligands: Extension of the MM3 force-field to aliphatic ether complexes of the alkali and alkaline-earth cations J. Am. Chem. Soc. 116 14 1994 6316
15. B. Hay P. Zhang J.R. Rustad Structural criteria for the rational design of selective ligands. 2: Effect of alkyl substitution on metal ion complex stability with ligands bearing ethylene bridged ether donors Inorg. Chem. 35 9 1996 2650
16. B.P. Hay D.A. Dixon R. Vargas J. Garza K.N. Raymond Structural criteria for the rational design of selective ligands. 3: Quantitative structure-stability relationship for iron(III) complexation by tris-catecholamide siderophores Inorg. Chem. 40 16 2001 3922-3935
17. L. Hersman T. Lloyd G. Sposito Siderophore-promoted dissolution of hematite Geochim. Cosmochim. Acta 59 1995 3327-3330
18. L. Hersman P. Maurice G. Sposito Iron acquisition from hydrous Fe(III)-oxides by an aerobic Pseudomonas sp. Chem. Geol. 132 1-4 1996 25-31
19. R.C. Hider Siderophore mediated adsorption of iron, structure and bonding Siderophores Microorg. Plants 58 1984 25-87
20. B.A. Holmen W.H. Casey Hydroxamate ligands, surface chemistry, and the mechanism of ligand-promoted dissolution of goethite [a-FeOOH(s)] Geochim. Cosmochim. Acta 60 22 1996 4403-4416
21. B.A. Holmen M.I. Tejedor-Tejedor W.H. Casey Hydroxamate complexes in solution and at the goethite-water interface: A cylindrical internal reflection Fourier transform infrared spectroscopy study Langmuir 13 8 1997 2197-2206
22. S. Izrailev S. Stepaniants M. Balsera Y. Oono K. Schulten Molecular dynamics study of unbinding of the avidin-biotin complex Biophys. J. 72 4 1997 1568-1581
23. B.E. Kalinowski L.J. Liermann S.L. Brantley A. Barnes C.G. Pantano X-ray photoelectron evidence for bacteria-enhanced dissolution of hornblende Geochim. Cosmochim. Acta 64 8 2000 1331-1343
24. T.A. Kendall M.F. Hochella Measurement and interpretation of molecular-level forces of interaction between the siderophore azotobactin and mineral surfaces Geochim. Cosmochim. Acta 67 19 2003 3537-3546
25. T.A. Kendall S.K. Lower Forces between minerals and biological surfaces in aqueous solution Adv. Agric. 82 2004 1-54
26. S.M. Kraemer S.F. Cheah R. Zapf J.D. Xu K.N. Raymond G. Sposito Effect of hydroxamate siderophores on Fe release and Pb(II) adsorption by goethite Geochim. Cosmochim. Acta 63 19-20 1999 3003-3008
27. D. Langmuir Aqueous Environmental Geochemistry 1997 Prentice Hall New Jersey (600 pp.)
28. L.J. Liermann B.E. Kalinowski S.L. Brantley J.G. Ferry Role of bacterial siderophores in dissolution of hornblende Geochim. Cosmochim. Acta 64 4 2000 587-602
29. Lindsay, W.L., 1979. Chemical Equilibria in Soils, 449 pp.
30. G.J. Lumetta B.M. Rapko P.A. Garza B.P. Hay R.D. Gilbertson T.J.R. Weakley et al. Deliberate design of ligand architecture yields dramatic enhancement of metal ion affinity J. Am. Chem. Soc. 124 20 2002 5644-5645
31. M.J. McWhirter P.J. Bremer I.L. Lamont A.J. McQuillan Siderophore-mediated covalent bonding to metal (oxide) surfaces during biofilm initiation by Pseudomonas aeruginosa bacteria Langmuir 19 9 2003 3575-3577
32. S. Miertus J. Tomasi Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes Chem. Phys. 65 2 1982 239-245
33. V.T. Moy E.L. Florin H.E. Gaub Intermolecular forces and energies between ligands and receptors Science 266 5183 1994 257-259
34. T. Palanche F. Marmolle M.A. Abdallah A. Shanzer A.M. Albrecht-Gary Fluorescent siderophore-based chemosensors: Iron(III) quantitative determinations J. Biol. Inorg. Chem. 4 2 1999 188-198
35. A.K. Rappe C.J. Casewit K.S. Colwell W.A. Goddard W.M. Skiff UFF, a full periodic-table force-field for molecular mechanics and molecular-dynamics simulations J. Am. Chem. Soc. 114 25 1992 10024-10035
36. A.A. Rashin B. Honig Reevaluation of the Born model of ion hydration J. Phys. Chem. 89 26 1985 5588-5593
37. D.R. Rosseinsky Electrode potentials and hydration energies. Theories and correlations Chem. Rev. 65 4 1965 467-490
38. 2 J. Chem. Soc., Chem. Commun. 1984 1271-1273
39. K.P. Schroder J. Sauer M. Leslie C.R.A. Catlow J.M. Thomas Bridging hydroxyl groups in zeolitic catalysts: A computer-simulation of their structure, vibrational properties and acidity in protonated faujasites (H-Y zeolites) Chem. Phys. Lett. 188 3-4 1992 320-325
40. J.R. Smyth S.D. Jacobsen R.M. Hazen Comparative crystal chemistry of dense oxide minerals In: R.M. Hazen R.T. Downs (Eds.) High Temperature and High Pressure Cyrstal Chemistry Reviews in Mineralogy 2000 Mineralogical Society of America
41. J.R. Telford K.N. Raymond Siderophores Compr. Supramol. Chem. 1 1996 245-266