In silico, in vitro and antifungal activity of the surface layers formed on zinc during this biomaterial degradation

Highlights: • In silico predicting revealed that the surface layers varied with implantation sites. • Simonkolleite or zincite surface layers revealed distinct in vitro behaviours. • Simonkolleite displayed anti-Candida biofilm behaviour. • Zincite led to the preferential precipitation of hydroxyapatite. Zinc (Zn) has been proposed as an alternative metallic biodegradable material to support transient wound-healing processes. Once a Zn piece is implanted inside the organism the degradation will depend upon the physiological surrounding environment. This, by modulating the composition of the surface layers formed on Zn devices, will govern the subsequent interactions with the surrounding living cells (e.g. biocompatibility and/or antifungal behaviour). In silico simulation of an implanted Zn piece at bone-muscle interface or inside the bone yielded the preferential precipitation of simonkolleite or zincite, respectively. To study the impact of these surface layers in the in vitro behaviour of Zn biomaterials, simonkolleite and zincite where synthesised. The successful production of simonkolleite or zincite was confirmed by an extensive physicochemical characterization. An in vitro layer formed on the top of these surface layers revealed that simonkolleite was rather inert, while zincite yielded a complex matrix containing hydroxyapatite, an important bone analogue. When analysing the "anti-biofilm" activity simonkolleite stood out for its activity against an important pathogenic fungi involved in implant-device infections, Candida albicans. The possible physiological implications of these findings are discussed.