SUPERQUAD: an improved general program for computation of formation constants from potentiometric data

Molecular mechanisms in nickel carcinogenesis: modeling Ni(II) binding site in histone H4.

“…The SUPERQUAD computer program (Superquad for the Calculations and MetalComplex Stability Constants, Version 5.2, L.D. Pettit, Academic Software, Sourby Farm, Timble Otley Yorks, UK) was used for stability constant calculations (32). Standard deviations quoted were computed by SUPERQUAD and refer to random errors only.…”

Structural study of the interaction of vanadate with the ligand 1,2-dimethyl-3-hydroxy-4-pyridinone (Hdmpp) in aqueous solution

“…All calculations were performed with SUPERQUAD [6], using published values for the equilibria of V(V) [7] in water and the acidity constants of Hdmpp [8]. The stability constants obtained for the vanadate/Hdmpp system are shown in Table 1 complexes.…”

“…A threeelectrode cell was used, with a platinum microsphere as working electrode, a platinum wire counter electrode and a AgNAgCl (1 mol dm y3 NaCl) reference electrode (Metrohm, Ref. 6.0724.140). All solutions were 0.15 mol dm y3 NaCl, and were studied at scan rates from 20 to 500 mV s y1 .…”

Coordination Chemistry of Palladium(II) Ternary Complexes with Relevant Biomolecules

“…Since then, many more programs have been published, mainly so as to be able to use microcomputers for the computations. The most commonly used programs for solution equilibrium constant determination are given in Table 1 (Motekaitis and Martell, 1988;Sabatini et al, 1974;Gans et al,1976;Gans et al,1985;Zekany and Nagypal, 1985;Sabatini et al, 1992;Gordon, 1982;Chandler et al, 1984;Perrin and Stunzi, 1985 ;Beltrán et al, 1993;Frassineti et al, 1995;Gampp et al,1985;Tauler, et al, 1991). All of these programs use least-square refinements to reduce the differences between calculated and experimental data to get the best model from the best fit.…”