Silver decorated 2D nanosheets of GO and MoS <sub>2</sub> serve as nanocatalyst for water treatment and antimicrobial applications as ascertained with molecular docking evaluation
Usman Qumar, Jalal Hassan, Sadia Naz, Ali Haider, Ali Raza, Anwar Ul‐Hamid, Junaid Haider, Iram Shahzadi, Iqbal Ahmad, Muhammad Ikram
Abstract
Abstract In this work, synthesis of graphene oxide (GO) and reduced graphene oxide (rGO) was realized through a modified Hummers route. Different concentrations (5 and 10 wt%) of Ag were doped in MoS 2 and rGO using a hydrothermal technique. Synthesized Ag-MoS 2 and Ag-rGO were evaluated through XRD that confirmed the hexagonal structure of MoS 2 along with the transformation of GO to Ag-rGO as indicated by a shift in XRD peaks while Mo–O bonding and S=O functional groups were confirmed with FTIR. Morphological information of GO and formation of MoS 2 nanopetals as well as interlayer spacing were verified through FESEM and HRTEM respectively. Raman analysis was employed to probe any evidence regarding defect densities of GO. Optical properties of GO, MoS 2 , Ag-rGO, and Ag-MoS 2 were visualized through UV–vis and PL spectroscopy. Prepared products were employed as nanocatalysts to purify industrial wastewater. Experimental results revealed that Ag-rGO and Ag-MoS 2 showed 99% and 80% response in photocatalytic activity. Besides, the nanocatalyst (Ag-MoS 2 and Ag-rGO) exhibited 6.05 mm inhibition zones against S. aureus gram positive (G+) and 3.05 mm for E. coli gram negative (G-) in antibacterial activity. To rationalize biocidal mechanism of Ag-doped MoS 2 NPs and Ag-rGO, in silico molecular docking study was employed for two enzymes i.e. β -lactamase and D-alanine-D-alanine ligase B (ddlB) from cell wall biosynthetic pathway and enoyl-[acylcarrier-protein] reductase (FabI) from fatty acid biosynthetic pathway belonging to S. aureus . The present study provides evidence for the development of cost-effective, environment friendly and viable candidate for photocatalytic and antimicrobial applications.