The concentration dependences of 1H-NMR chemical shifts and spin-lattice relaxation rates were measured for chloroquine in aqueous solution. The weak self-association constant was evaluated according to a dimerization equilibrium with the formation of self-stacked adducts (Kd = 4.52 +/- 0.68 l mol-1). The motional correlation times were evaluated for the monomer and the dimer by measuring intramolecular dipolar cross-relaxation rates of aromatic vicinal protons (tau cm = 0.06 ns and tau cd = 0.26 ns). The geometry of the stacked dimer was elucidated by measuring intermolecular dipolar cross-relaxation rates and interpreted in terms of partial superposition of quinoline moieties.

Marchettini, N., Valensin, G., Gaggelli, E. (1990). 1H-NMR studies on the self-association of chloroquine in aqueous solution. BIOPHYSICAL CHEMISTRY, 36(1), 65-70 [10.1016/0301-4622(90)85008-T].

1H-NMR studies on the self-association of chloroquine in aqueous solution

Marchettini, N.;Valensin, G.;Gaggelli, E.
1990-01-01

Abstract

The concentration dependences of 1H-NMR chemical shifts and spin-lattice relaxation rates were measured for chloroquine in aqueous solution. The weak self-association constant was evaluated according to a dimerization equilibrium with the formation of self-stacked adducts (Kd = 4.52 +/- 0.68 l mol-1). The motional correlation times were evaluated for the monomer and the dimer by measuring intramolecular dipolar cross-relaxation rates of aromatic vicinal protons (tau cm = 0.06 ns and tau cd = 0.26 ns). The geometry of the stacked dimer was elucidated by measuring intermolecular dipolar cross-relaxation rates and interpreted in terms of partial superposition of quinoline moieties.
Marchettini, N., Valensin, G., Gaggelli, E. (1990). 1H-NMR studies on the self-association of chloroquine in aqueous solution. BIOPHYSICAL CHEMISTRY, 36(1), 65-70 [10.1016/0301-4622(90)85008-T].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11365/32872
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