Predicting the Stability Constants of Metal-Ion Complexes from First Principles

2013 ◽  
Vol 52 (18) ◽  
pp. 10347-10355 ◽  
Author(s):  
Ondrej Gutten ◽  
Lubomír Rulíšek
Keyword(s):  
Stability Constants ◽  
First Principles ◽  
Metal Ion ◽  
Metal Ion Complexes ◽  
The Stability

Metal-ion recognition. Modeling the stability constants of some mixed-donor macrocyclic metal ion complexes—a simple model

2003 ◽  
Vol 352 ◽  
pp. 46-50 ◽  
Author(s):  
Kenneth R. Adam ◽  
Darren S. Baldwin ◽  
Leonard F. Lindoy ◽  
George V. Meehan ◽  
Ioana M. Vasilescu ◽  
...  
Keyword(s):  
Simple Model ◽  
Stability Constants ◽  
Metal Ion ◽  
Ion Recognition ◽  
Metal Ion Complexes ◽  
The Stability

Transferrin binding of Al3+ and Fe3+.

1987 ◽  
Vol 33 (3) ◽  
pp. 405-407 ◽  
Author(s):  
R B Martin ◽  
J Savory ◽  
S Brown ◽  
R L Bertholf ◽  
M R Wills
Keyword(s):  
Stability Constant ◽  
Blood Plasma ◽  
Stability Constants ◽  
Metal Ion ◽  
Equilibrium Dialysis ◽  
Ion Binding ◽  
Metal Ion Binding ◽  
Quantitative Studies ◽  
Intensity Changes ◽  
The Stability

Abstract An understanding of Al3+-induced diseases requires identification of the blood carrier of Al3+ to the tissues where Al3+ exerts a toxic action. Quantitative studies demonstrate that the protein transferrin (iron-free) is the strongest Al3+ binder in blood plasma. Under plasma conditions of pH 7.4 and [HCO3-]27 mmol/L, the successive stability constant values for Al3+ binding to transferrin are log K1 = 12.9 and log K2 = 12.3. When the concentration of total Al3+ in plasma is 1 mumol/L, the free Al3+ concentration permitted by transferrin is 10(-14.6) mol/L, less than that allowed by insoluble Al(OH)3, by Al(OH)2H2PO4, or by complexing with citrate. Thus transferrin is the ultimate carrier of Al3+ in the blood. We also used intensity changes produced by metal ion binding to determine the stability constants for Fe3+ binding to transferrin: log K1 = 22.7 and log K2 = 22.1. These constants agree closely with a revision of the reported values obtained by equilibrium dialysis. By comparison with Fe3+ binding, the Al3+ stability constants are weaker than expected; this suggests that the significantly smaller Al3+ ions cannot coordinate to all the transferrin donor atoms available to Fe3+.

The affinity of aldehydic compounds to complex formation. Nickel(II) and cobalt(II) complexes with 2-pyridinecarboxaldehyde

1977 ◽  
Vol 55 (14) ◽  
pp. 2613-2619 ◽  
Author(s):  
M. S. El-Ezaby ◽  
M. A. El-Dessouky ◽  
N. M. Shuaib
Keyword(s):  
Complex Formation ◽  
Aqueous Solutions ◽  
Stability Constants ◽  
Metal Ion ◽  
Experimental Conditions ◽  
Complex Species ◽  
Spectrophotometric Methods ◽  
Complex Equilibria ◽  
The Stability ◽  
Hydroxy Groups

The interactions of Ni(II) and Co(II) with 2-pyridinecarboxaldehyde have been investigated in aqueous solutions at μ = 0.10 M (KNO3) at 30 °C. The stability constants of different complex equilibria have been determined using potentiometric methods. Spectrophotometric methods were also used in the case of the nickel(II) – 2-pyridinecarboxaldehyde system. It was concluded that nickel(II) and cobalt(II), analogous to copper(II), enhance hyrdation of 2-pyridinecarboxaldehyde prior to deprotonation of one of the geminal hydroxy groups. Complex species of 1:1 as well as 1:2 metal ion to ligand composition exist under the experimental conditions used.

scholarly journals Interaction of Ampicillin and Amoxicillin with Mn2+: A Speciation Study in Aqueous Solution

Molecules ◽  
2020 ◽  
Vol 25 (14) ◽  
pp. 3110
Author(s):  
Claudia Foti ◽  
Ottavia Giuffrè
Keyword(s):  
Aqueous Solution ◽  
Stability Constants ◽  
Metal Ion ◽  
Formation Constants ◽  
Enthalpy Change ◽  
Ligand Concentration ◽  
Empirical Parameter ◽  
Speciation Study ◽  
Potentiometric Measurements ◽  
The Stability

A potentiometric and UV spectrophotometric investigation on Mn2+-ampicillin and Mn2+-amoxicillin systems in NaCl aqueous solution is reported. The potentiometric measurements were carried out under different conditions of temperature (15 ≤ t/°C ≤ 37). The obtained speciation pattern includes two species for both the investigated systems. More in detail, for system containing ampicillin MLH and ML species, for that containing amoxicillin, MLH2 and MLH ones. The spectrophotometric findings have fully confirmed the results obtained by potentiometry for both the systems, in terms of speciation models as well as the stability constants of the formed species. Enthalpy change values were calculated via the dependence of formation constants of the species on temperature. The sequestering ability of ampicillin and amoxicillin towards Mn2+ was also evaluated under different conditions of pH and temperature via pL0.5 empirical parameter (i.e., cologarithm of the ligand concentration required to sequester 50% of the metal ion present in traces).

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