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Dual colorimetric sensing of ascorbic acid and thyroxine using Ag-EGCG-CTAB via a DFT approach.

ABSTRACT: In this work, a colorimetric approach for the detection of ascorbic acid (AA) and thyroxine (TH) was developed by synthesizing cost-effective silver nanoparticles (AgNPs) decorated with epigallocatechin gallate (EGCG) and CTAB. EGCG is the major bioactive chemical constituent that played a significant role in this study. The environment around the nanoparticle (NP) was controlled by adding CTAB surfactants. The synthesized NPs were characterized by different advanced techniques including XRD, XPS, SEM, and TEM. UV-visible spectra were thoroughly analyzed for sensing of AA and TH and the colour change of the solution can be visually monitored. The change in the localized surface plasmon resonance (LSPR) properties was used as an asset for the detection of AA and TH. A good linear relationship was obtained in both the sensing schemes with a limit of detection (LoD) of 0.67 μM and 0.33 μM for AA and TH respectively. Furthermore, the nanoparticles (NP) were implemented for real-sample analysis (pharmaceutical tablets). A cost-effective filter paper strip-based method coupled with smartphone scanning sensing was developed for the detection of AA. The interaction of AA and TH with the probe was depicted by a density functional theory (DFT) analysis. The synthesized NPs show tremendous selectivity towards AA and TH and excellent potential for practical applications.

SUBMITTER: Borah N

PROVIDER: S-EPMC9043532 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:An exceptionally unique, easy-to-prepare, and economic charge transfer complex (CTC), [(IMH)+(PA)-], was synthesized as a highly selective real-time colorimetric chemosensor material for nitro explosive nitrobenzene (NB) and Co2+ ion. Co2+ and NB are highly potential toxic and hazardous beyond the exposure limits and also classified as carcinogens (group 2B) by IARS and United States Environmental Protection Agency. Unusual sensing ability with appreciatively low detection limits of 0.114 and 0.589 ppb for NB and Co2+ ion, respectively, in the aqueous medium of dimethyl sulfoxide has been reported for the first time among this class of complexes reported so far. The mechanism of the tremendous sensing behavior of this material as chemosensor was ascertained by static quenching mechanism, Dexter electron transfer, and Forster resonance energy transfer dynamic quenching mechanism, which was supported by spectral overlapping and density functional theory (DFT) (B-3LYP/def2-SVP) calculations. Real-time colorimetric sensing behavior of chemosensor was demonstrated by the naked eye test and prestained paper Co2+ strip test. Job's plot and comparative Fourier transform infrared (FTIR) study between CTC and CTC-Co2+ complex revealed the coordination mode between CTC and Co2+ ion and 2:1 stoichiometry. This sensing material [(IMH)+(PA)-] was synthesized with donor imidazole (IM) and acceptor picric acid (PA), and its characterization was achieved by experimental (single-crystal X-ray diffraction, thermal gravimetric analysis-differential thermal analysis, FTIR, and UV-vis studies) and theoretical methods [DFT/TD-DFT calculations, comparing experimental-theoretical data and obtaining MEP map along with electronic energy gap of HOMO → LUMO (ΔE = 3.545 eV) and Hirshfeld surfaces analysis]. The SC-XRD confirms the composition and bonding features, which show hydrogen bond via N+-H···O- between IM and PA. This N+-H···O- interaction plays a significant role in Co2+ binding, proving this method of synthesizing CTC as a chemosensor to be a novel approach.

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Dual colorimetric sensing of ascorbic acid and thyroxine using Ag-EGCG-CTAB via a DFT approach.

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