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References from ALUMINIUM IN BIOLOGICAL ENVIRONMENTS: A COMPUTATIONAL APPROACH. Local targets link to admitted publications; unresolved targets remain external evidence.
10.1016/j.tibs.2009.07.006
10.1016/j.tibs.2009.07.006 · External reference
Molecular toxicity of aluminium in relation to neurodegeneration
2008 · External reference
Aluminum and Alzheimer's disease: after a century of controversy, is there a plausible link?
10.3233/jad-2010-101494 · 2011 · External reference
10.1016/j.ccr.2012.02.020
10.1016/j.ccr.2012.02.020 · External reference
The Hydrolysis of aluminium: A Mass Spectrometric Study
2007 · External reference
Cooperativity in Al3+ Hydrolysis Reactions from Density Functional Theory Calculations
10.1021/jp102787e · 2010 · External reference
10.1021/jp112076r
10.1021/jp112076r · External reference
10.1039/c2cp40885f
10.1039/c2cp40885f · External reference
Improved DFT-based interpretation of ESI-MS of aqueous metal cations
10.1007/s13361-013-0617-x · 2013 · External reference
10.1021/jp203290b
10.1021/jp203290b · External reference
10.1016/j.jinorgbio.2012.09.008
10.1016/j.jinorgbio.2012.09.008 · External reference
Molecular structure of tetraaqua adenosine 5′-triphosphate aluminium(III) complex: a study involving Raman spectroscopy, theoretical DFT and potentiometry
10.1016/j.saa.2012.12.019 · 2013 · External reference
Aluminum (III) Interactions with the Acidic Amino Acid Chains
10.1021/jp981146b · 1998 · External reference
Aluminum (III) Interactions with the Acid Derivative Amino Acid Chains
10.1021/jp992415g · 2000 · External reference
Aluminum(III) interactions with sulphur containing aminoacid chains
10.1021/jp0112121 · 2001 · External reference
10.1002/qua.952
10.1002/qua.952 · External reference
Incremental binding free energies of aluminum (III) vs. magnesium (II) complexes
10.1016/j.chemphys.2003.08.031 · 2003 · External reference
The first solvation shell of aluminum (III) and magnesium (II) cations in a protein model environment
10.1002/qua.20075 · 2004 · External reference
A study of the coordination shell of aluminum (III) and magnesium (II) in model protein environments: thermodynamics of the complex formation and metal exchange reactions
10.1016/j.jinorgbio.2005.12.007 · 2006 · External reference
Protein side chains facilitate Mg/Al exchange in model protein binding sites
10.1002/cphc.200700335 · 2007 · External reference
A theoretical study of the principles regulating the specificity for Al(III) against Mg(II) in protein cavities
10.1016/j.jinorgbio.2007.06.010 · 2007 · External reference
Gibbs energy of solvation of organic ions in aqueous and dimethyl sulfoxide solutions
10.1039/b109595a · 2002 · External reference
10.1021/ct800335v
10.1021/ct800335v · External reference
Aluminum chelation principles and recent advances
10.1016/s0010-8545(02)00078-4 · 2002 · External reference
A density functional investigation of aluminium (III)-citrate complexes
10.1039/b008987g · 2001 · External reference
10.1016/s0361-9230(03)00182-5
10.1016/s0361-9230(03)00182-5 · External reference
The Chemistry of Aluminum as Related to Biology and Medicine
10.1093/clinchem/32.10.1797 · 1986 · External reference
Structure determination and refinement of the Al3+ complex of the D254,256E mutant of arthrobacter d-xylose isomerase at 2.40 a resolution. Further evidence for inhibitor-induced metal ion movement
10.1016/s0141-8130(99)00051-3 · 1999 · External reference
Metabolism and possible health-effects of aluminum
1986 · External reference
10.1038/nature04642
10.1038/nature04642 · External reference
10.1016/s0009-2614(03)00607-9
10.1016/s0009-2614(03)00607-9 · External reference
Acidity of Organic Molecules in the Gas Phase and in Aqueous Solvent
10.1021/jp001938h · 2000 · External reference
Computation of pKa from dielectric continuum theory
10.1021/jp020847c · 2002 · External reference
Accurate pKa calculations for carboxylic acids using complete basis set and Gaussian models combined with CPCM continuum solvation methods
10.1021/ja010534f · 2001 · External reference
Theoretical calculations of acid-dissociation
10.1139/o98-034 · 1998 · External reference
A universal approach for continuum solvent pKa calculations: are we there yet?
10.1007/s00214-009-0667-0 · 2009 · External reference
Theoretical prediction of pKa values for methacrylic acid oligomers using combined quantum mechanical and continuum solvation methods
10.1021/jp807315p · 2008 · External reference
10.1021/ct049977a
10.1021/ct049977a · External reference
10.1039/b819484j
10.1039/b819484j · External reference
Problems and progresses in speciation of Al in human serum: an overview
10.1016/j.jinorgbio.2009.07.028 · 2009 · External reference
10.1039/c0ja00088d
10.1039/c0ja00088d · 2011 · External reference
A systems biology approach to the blood- aluminium problem: the application and testing of a computational model
10.1016/j.jinorgbio.2007.06.015 · 2007 · External reference
Towards a model of non-equilibrium binding of metal ions in biological systems
10.1016/j.jinorgbio.2008.10.003 · 2009 · External reference
Plasma aluminum is bound to transferrin
10.1016/s0024-3205(83)80002-2 · 1983 · External reference
Aluminum access to the brain – A role for transferrin and its receptor
10.1073/pnas.87.22.9024 · 1990 · External reference
Aluminum exchange between citrate and human serum transferrin and interaction with transferrin receptor 1
10.1021/bi020627p · 2003 · External reference
Reconsideration of Serum Ti(IV) Transport: Albumin and Transferrin Trafficking of Ti(IV) and Its Complexes
10.1021/ja076364+ · 2008 · External reference
Blood-brain barrier flux of aluminum, manganese, iron and other metals suspected to contribute to metal-induced neurodegeneration
10.3233/jad-2006-102-309 · 2006 · External reference
10.1016/s0006-8993(02)02234-5
10.1016/s0006-8993(02)02234-5 · External reference
Evidence for energy-dependent transport of aluminum out of brain extracellular fluid
10.1016/0300-483x(94)02953-r · 1995 · External reference
Aluminium speciation in cerebrospinal fluid of acutely aluminium intoxicated dialysis patients before and after desferrioxamine treament; a step in the understanding of the ele-ment's neurotoxicity
10.1093/ndt/12.8.1692 · 1997 · External reference
Equilibrium and structural studies of silicon (IV) and aluminum (III) in aqueous solution. Stable and metastable complexes in the system H+-Al3+-citric acid
10.1021/ic00288a003 · 1988 · External reference
Time-dependent solution speciation of the Al(III)-citrate system: potentiometric and NMR studies
10.1002/1099-0682(200102)2001:2<461::aid-ejic461>3.0.co;2-e · 2001 · External reference
Synthesis, structural characterization, and solution behavior of the first mononuclear, aqueous aluminum citrate complex
10.1021/ic9806131 · 1999 · External reference
Synthesis, pH-dependent structural characterization, and solution behavior of aqueous aluminum and gallium citrate complexes
10.1021/ic000461l · 2001 · External reference
Aluminum speciation in biological environments. The deprotonation of free and aluminum bound citrate in aqueous solution
10.1039/c2cp40671c · 2012 · External reference
Computational evaluation of pKa for oxygenated side chain containing aminoacids interacting with aluminum
10.1007/s00214-010-0807-6 · 2011 · External reference
Structure of aluminium-bound ovotransferrin at 2.15 angstrom resolution
10.1107/s090744490503266x · 2005 · External reference
Aluminum site structure in serum transferrin and lactoferrin revealed by synchrotron radiation X-ray spectroscopy
10.1023/a:1018345021238 · 1997 · External reference
Ligand-induced conformational change in transferrins: crystal structure of the open form of the N-terminal half-molecule of human transferrin
10.1021/bi9812064 · 1998 · External reference
Two high-resolution crystal structures of the recombinant N-lobe of human transferrin reaveal a structural change implicated in iron release
10.1021/bi980355j · 1998 · External reference
The nature of ligand-induced conformational change in transferrin in solution. An investigation using X-ray scattering, XAFS and site-directed mutants
10.1006/jmbi.1998.1787 · 1998 · External reference
Structural evidence for a pH-sensitive dilysine trigger in the hen ovotransferrin N-lobe – implications for transferrin iron release
10.1021/bi00096a004 · 1993 · External reference
Structures of two mutants that probe the role in iron release of the dilysine pair in the N-lobe of human transferrin
10.1107/s0907444907000182 · 2007 · External reference
10.1016/s0006-3495(03)74769-9
10.1016/s0006-3495(03)74769-9 · External reference
The low pKa value of iron-binding ligand Tyr188 and its implication in iron release and anion binding of human transferrin
10.1016/j.febslet.2004.07.076 · 2004 · External reference
10.1021/bi300584p
10.1021/bi300584p · External reference
A QM/MM study of the complexes formed by aluminum and iron with serum transferrin at neutral and acidic pH
10.1016/j.jinorgbio.2011.07.019 · 2011 · External reference
10.1021/cr980430w
10.1021/cr980430w · External reference
10.1007/s12011-009-8547-y
10.1007/s12011-009-8547-y · External reference
Aluminum (III) facilitates the oxidation of NADH by the superoxide anion
10.1016/0891-5849(92)90168-g · 1992 · External reference
10.1016/j.freeradbiomed.2003.11.017
10.1016/j.freeradbiomed.2003.11.017 · External reference
Quantitative evaluation of Lewis acidity of metal ions derived from the g-values of ESR spectra of superoxide: metal ion complexes in relation to the promoting effects in electron transfer reactions
10.1002/1521-3765(20001215)6:24<4532::aid-chem4532>3.0.co;2-9 · 2000 · External reference
10.1002/poc.496
10.1002/poc.496 · External reference
10.1016/s0010-8545(01)00435-0
10.1016/s0010-8545(01)00435-0 · External reference
The standard electrode potential (Eθ ) predicts the prooxidant activity and the acute toxicity of metal ions
10.1016/j.jinorgbio.2011.08.024 · 2011 · External reference
Calculation of EPR g Tensors for Transition-Metal Complexes Based on Multiconfigurational Perturbation Theory (CASPT2)
10.1002/cphc.200700128 · 2007 · External reference
Aluminum compounds as vaccine adjuvants
10.1016/s0169-409x(98)00008-8 · 1998 · External reference
Aluminium compounds for use in vaccines
10.1111/j.0818-9641.2004.01286.x · 2004 · External reference
Study of the toxicity of ultrafine engineered powder: example of boehmite nanoparticles
2011 · External reference
Retrospective analysis of 4-week inhalation studies in rats with focus on fate and pulmonary toxicity of two nanosized aluminum oxyhydroxides (boehmite) and pigment-grade iron oxide (magnetite): The key metric of dose is particle mass and not particle surface area
10.1016/j.tox.2009.02.012 · 2009 · External reference
Boehmite solubility and aqueous aluminum speciation in hydrothermal solutions (90–350-degrees-c) – experimental-study and modeling
10.1016/0016-7037(93)90126-h · 1993 · External reference
Macrophagic myofasciitis lesions assess long-term persistence of vaccine-derived aluminium hydroxide in muscle
10.1093/brain/124.9.1821 · 2001 · External reference
10.1007/s11481-008-9131-5
10.1007/s11481-008-9131-5 · External reference
Formation of the OOH˚ radical at steps of the boehmite surface and its inhibition by gallic acid: a theoretical study including DFT- based dynamics
10.1016/j.jinorgbio.2013.07.024 · 2013 · External reference
Unresolved reference
External reference
10.1021/jp3000812
10.1021/jp3000812 · External reference
Salt concentration and pH-dependent adsorption of two polypeptides on planar and divided alumina surfaces. In situ IR investigations
2000 · External reference
Role of salts on BSA adsorption on stainless steel in aqueous solutions. I. FT-IRRAS and XPS characterization
10.1002/sia.1250 · 2002 · External reference
Salt concentration and pH-dependent adsorption of two polypeptides on planar and divided alumina surfaces. In situ IR investigations
10.1021/la062208p · 2007 · External reference
10.1021/ct700301q
10.1021/ct700301q · External reference
A Lennard-Jones plus Coulomb potential for Al3+ ions in aqueous solutions
10.1063/1.3364110 · 2010 · External reference
Molecular Mechanics Studies of Model Iron(III) Transferrin Complexes in vacuo and in Aqueous Solution
10.1021/ic00083a010 · 1994 · External reference