Physico-chemical study of complexation of silver ion (Ag+) by macrocyclic molecules (hexa-Helicenes) based on statistical physics theory: new description of a cancer drug

Abstract

AbstractIn recent papers, it is found that the silver-[6]Helicene complex can be used as a cancer drug but the interaction silver-hexaHelicene has not yet proven. The idea of this paper is to investigate the complexation process of the [6]Helicene by the silver metal (Ag+) using three types of adsorbates. Indeed, the adsorption of silver chloride, silver nitrate and silver sulfide into the sensor films deposited on the QCM electrode are measured at three temperatures (293–333 K). Films of the [6]Helicene were deposited on the QCM resonators using spin coating method in order to obtain uniform and homogenous sensor surface. Experimental results indicated that the [6]Helicene can form a stable complex with the silver ion and that the AgCl is the appropriate adsorbate for the complexation achievement. Actually, an advanced modeling analysis by means of statistical physics adsorption models is applied to explore the new vision of the complextion system. The values of the models parameters are deduced from fitting the experimental data with the developed models. They result in confirming the experimental findings by comparing the complexation energies of the three examined systems. In particular, for the silver nitrate, the Van-der-Waals parameters explained the isotherms drop at high concentration through the lateral interactions between the adsorbates. The adsorption energies analysis showed the highest interaction AgCl-[6]Helicene. Density functional theory (DFT) simulations showed that chemical bonds take place during the adsorption of silver chloride on hexaHelicene which confirms that the [6]Helicene can function as a chiral molecular tweezer of the univalent cationic silver.