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1)
a) Here you can calculate the recommended
volumes of stock solutions to be added for the optimal range between 20%
and 80% degree of complexation in NMR, UV/Vis or Fluorescence titrations
(for A+BÛ C
equilibria). As input you need a estimated association constant ; the concentrations
of stock and (observed) substrate solutions can be changed/ overwritten
anytime if solubility problems etc require this..
b)
Calculation
of complexation degrees on the basis of a given association constant
for any host and guest concentration.
2)
If you're using SigmaPlot
(Jandel Scientific) here are some input
equations for
a)
calculation of association constants by nonlinear curve fitting:
Host/Guest;
Model A+B
Û
C;
for NMR, Fluorescence or UV titrations
Selfassociation
2 A Û
B; for NMR, Fluorescence
or UV titrations
b)
Mathematical transformations: