Global optimization reveals that aggregation is enhanced for coronene substituted with carboxylic and amine groups, which due to the influence of weak hydrogen bonds stronger electrostatic contributions.

Here, we report a facile and straight-forward approach to incorporate amphoteric groups inside the single conical nanochannels. This was realized by direct chemical modification of the surface carboxyl groups with L-lysine chains whose positive and negative charges are very sensitive to the external pH. The chemically functionalised channels were characterized both theoretically and experimenta...

Chemical properties of cationic biosorbents, the orange peel and the lemon peel, have been studied. ATR and Raman spectra indicated that the functional groups in the peels structure responsible for dye sorption are carboxyl groups (COOH and COOM, M=Na,K,Ca,Mg) and hydroxyl groups (OH). Increasing the mass of the peels in water suspensions a decrease in dissociation of both, the –COOH and –COOM ...