Experimental and computational characterization of silver nanoparticles using matico (piper aduncum) leaves extract as reducing agent

Silver nanoparticles are recognized for numerous physical, biological and pharmaceutical applications. In this study, silver nanoparticles were successfully synthesized by green chemistry alternative reduction method, using Matico (Piper aduncum) leaves extract. The characterization was performed through Ultraviolet/VisibleSpectroscopy to estimatethe particle size; morphology and elemental composition were detected by Scanning Electron Microscopy. Estimated radius was measured by Scanning Transmission Electron Microscopy. The interaction between Matico leaves extract with nanoparticles to determine potential reducing active ingredients was monitored by InfraredSpectroscopy. The reaction yield was determined by Flame Atomic Absorption Spectroscopy. The interaction of clusters of silver nanoparticles (3, 5 and 6 atoms) with quercetin (an active molecule of the Matico leaves), was studiedusing Density Functional Theory and Molecular Dynamics by Gaussian09 and Abalone programs. The particle size was 13.58±6.25nm. It was found that the nanoparticles are quasi-spherical with 7.2 % of elemental silver and a reaction yield of 96.68 %. The cluster of 6 silver atoms with quercetin was proven to be the most stable complex. Synthesized silver nanoparticles display stability greater than 120 days, confirming that Matico leaves extract is a viable and green reducing agent.Silver nanoparticles would have very good clearance properties because molecular dynamics demonstrated that over a certain period of time, the silver cluster got far away from the quercetin.