Roy, Shubham and Bardhan, Souravi and Chanda, Dipak Kumar and Roy, Jhilik and Mondal, Dhananjoy and Das, Sukhen (2020) In Situ-Grown Cdot-Wrapped Boehmite Nanoparticles for Cr(VI) Sensing in Wastewater and a Theoretical Probe for Chromium-Induced Carcinogen Detection. ACS Applied Materials & Interfaces, 12 (39). pp. 43833-43843. ISSN 1944-8244

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In modern society, massive industrialization escalates environmental degradation by liberating various contaminants into the environment. Hexavalent chromium is a heavy metal that is being discharged from tannery and other industries, resulting in various carcinogenic diseases. This study reports a carbon dot (cdot)-based fluorometric probe for detecting hexavalent chromium in water. This is the very first time that cdots are tailored over the boehmite nanoparticle's surface using an in situ approach. Validation of formation of the nanocomposite has been discussed in detail employing the Rietveld refinement-based X-ray crystallography method. Vibrational spectroscopy and electron microscopy of the sample authenticate the nucleation process and the growth mechanism. The Stern-Volmer approach and time-resolved fluorescence measurements justify the sensitivity of the sensor (similar to 58 nM), and selectivity is analyzed by exposing the material to different ionic environments. Density functional theory (DFT) is applied herein to analyze the origin of fluorescence and the sensing mechanism of the probe, which shows that photoinduced electron transfer is responsible for the turn-off-based sensing of Cr(VI). The molecular docking simulation is carried out to ensure the binding of cdots to the binding pocket of the glutathione enzyme, which is responsible for treating reactive oxygen species-mediated DNA damage due to elements such as hexavalent chromium. Time-dependent density functional calculations show that the fluorometric probe is capable of detecting Cr(VI) in living cells making it an early stage chromium-mediated carcinogen detector.

Item Type: Article
Subjects: Engineering Materials
Depositing User: Bidhan Chaudhuri
Date Deposited: 27 Jan 2021 07:45
Last Modified: 27 Jan 2021 07:45

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