The
acid base protonation equilibria of
N
-acetylcysteine
(Nac) and its equilibrium constants in water solutions were determined
by the Hyperquad 2008 software assessment from the pH potentiometry
data, which provides a diversity of statistics presentations. The
effect of a number of organic solvents on the acid base protonation
processes was also examined. The solution equilibria of
N
-acetylcysteine (Nac) were studied at
T
= 298.15
K in water (
w
1
) + organic liquid mixtures
[100
w
2
= 0, 20, 40, 60, and 80%] with
an ionic strength of
I
= 0.16 mol·dm
–3
NaNO
3
. Also, the organic solvent’s influence was
studied based on the Kamlet–Taft linear solvation energy relationship.
The experimental results were compared with theoretical ones obtained
via the Gaussian 09 calculation computer program. The protonation
equilibria of Nac were found to be important in the progress of separation
systems in aqueous and non-aqueous ionic solutions. Nac showed a likely
good metal dibasic chelating bioligand as the DFT calculations proved
two binding sites. Spectrophotometry evaluation was also done for
N
-acetylcysteine bioligands at various pH values in water
solutions then its absorbance ratio was measured.