Faculty Publications
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Item Selective colorimetric chemosensor for the detection of Hg2+ and arsenite ions using Isatin based Schiff's bases; DFT Studies and Applications in test strips(Elsevier B.V., 2019) TG, A.K.; Tekuri, V.; Mohan, M.; Trivedi, D.R.Three isatin appended Schiff's base chemosensors (CS1-CS3) were synthesized and characterized by FT-IR, 1H-NMR, 13 C-N MR, and LC–MS. The sensing ability of the synthesized chemosensors towards Hg2+ and AsO2? ions was established through colorimetric / UV–vis techniques and achieved detection limit at ppm levels. All chemosensors CS1-CS3 exhibited rapid colorimetric / UV–vis response with Hg2+, also, CS1 and CS3 displayed dual-ion selectivity towards AsO2? (colour changes orange to aqua-blue) and Hg2+ (from orange to colorless). The binding properties and detection limit has been examined through the UV–vis instrument. The mechanism of binding was investigated using various analytical techniques like FT-IR, UV–vis, mass and 1H-NMR titration experiments. The experimental results were supported by theoretical DFT study. The developed colorimetric chemo-sensors showed a good binding affinity towards metal ions and exhibited good linearity (R2 ? >0.99). Further, the developed sensors were used for test strips application to detect the Hg2+, AsO2? ions and achieved naked-eye detection at ppm levels. Hence, CS1-CS3 sensors find its practical application in efficient detection of toxic metals like Hg2+ and AsO2?. © 2018 Elsevier B.V.Item Design and synthesis new colorimetric receptors for naked-eye detection of biologically important fluoride and acetate anions in organic and arsenite in aqueous medium based on ICT mechanism: DFT study and test strip application(Elsevier B.V., 2020) Singh, A.; Mohan, M.; Trivedi, D.R.Novel three colorimetric anion receptors R1, R2 and R3 have been designed and synthesized via condensation reaction and characterized using IR, MS, and NMR spectroscopic techniques. Anion sensing properties were studied using colorimetric, UV–vis titration, 1H NMR titration, and Cyclic Voltammetric Studies. Comparing the UV–visible titration data of the receptors R1 and R2, R2 showed high redshift (??max) in the mixed competitive solution (DMSO: H2O, 9: 1; v/v) of about 155 nm, 157 nm, 169 nm for Na+F?, Na+AcO?, and Na+AsO2 ? ions with LOD of 0.23 ppm, 0.18 ppm, and 0.30 ppm, respectively. The observed spectral change of receptor R2 is due to the anion-induced deprotonation of the OH proton, which is confirmed by UV–vis titration, 1HNMR titration, and cyclic voltammetric studies. Theoretical studies via DFT calculation were carried for R1 and R2 to optimize the structure and to explain the anion-binding mechanism. The application of designed receptor R2 was successfully demonstrated for the detection of F? and AsO2 ? ions using a test strip. The receptors R1 and R2 proved itself to be potentially useful for real-life application by sensing F? and AcO? ions in real samples like toothpaste, mouthwash, vinegar and seawater in a complete aqueous medium. © 2019 Elsevier B.V.Item Design and synthesis of malonohydrazide based colorimetric receptors for discrimination of maleate over fumarate and detection of F?, AcO? and AsO2 ? ions(Elsevier B.V., 2020) Singh, A.; Mohan, M.; Trivedi, D.R.In this study, we have designed and synthesized two new organic receptors R1 and R2 based on malonohydrazide for the recognition of biologically important anions. The receptor R1 capable of colorimetric discrimination of maleate over fumarate ion, exhibit significant color change from pale yellow to wine red due to intermolecular hydrogen bond between the R1 and maleate ion, supported by 1HNMR titration, where the peak at ?12.0 ppm attributed to the NH proton experiences a downfield shift upon binding with maleate ion. Receptor R1, equipped with two electron-withdrawing [sbnd]NO2 moieties as the chromogenic signaling unit enhance the hydrogen bonding tendency and acidity, and thus when comparing with receptor R2, R1 displayed substantial higher redshift (??max) of 148 nm, 143 nm, and 140 nm towards F?, AcO?, and maleate anion in the DMSO. In addition, the synthesized receptors R1 and R2 are able to detect F?, AcO?, and AsO2 ? ions as their sodium salts in an aqueous solution with visual color change. Receptor R1 exhibit electrochemical response towards F? and AcO? ions. The receptors R1 and R2 are successfully applied for quantitative detection of F? ion in the toothpaste solution in an aqueous medium. Additionally, R1 and R2 exhibit fluorescence enhancement towards F? and AcO? ions in the DMSO. As well, R1 and R2 demonstrate to be potentially useful colorimetric chemosensor for sensing maleate ion using the test strip. The theoretical calculation based on TD-DFT corroborates well with the experimental results of the receptors R1 and R2 with fluoride, acetate and maleate. © 2019 Elsevier B.V.Item Colorimetric recognition of water-polluting inorganic arsenic anions using near-infrared chemosensors in organic and semi-aqueous medium(Springer Science and Business Media Deutschland GmbH, 2023) K, K.; Nityananda Shetty, A.N.; Trivedi, D.R.Highly sensitive and selective chemosensors N2R1–N2R3 for detecting water-polluting inorganic arsenic anions, arsenite, and arsenate were synthesized and characterized. The selectivity of anions was studied in the pure organic media as well as the organo-aqueous media. Receptors N2R1 and N2R3 exhibited selectivity toward arsenite ion over arsenate ion in the acetonitrile media with a Limit of Detection (LOD) of 0.119 ppm and 0.323 ppm, respectively. In 30% aq. DMSO, receptors N2R1–N2R3 displayed selectivity toward arsenite and arsenate with a better LOD of 0.044 ppm. The anion binding to the receptor achieved a spectral absorption shift toward the near-infrared region in both organic and aqueous media, making the receptors better colorimetric sensors. The cyclic voltammetric investigations, 1H–NMR titration, UV–Vis titration, and DFT experiments provided strong evidence for the initial H-bonding upon interaction with the anions and the subsequent deprotonation pathway for the detection of inorganic arsenic anions. © 2023, King Abdulaziz City for Science and Technology.Item Colorimetric chemosensors for the selective detection of arsenite over arsenate anions in aqueous medium: Application in environmental water samples and DFT studies(Elsevier B.V., 2023) K, K.; Nityananda Shetty, A.N.; Trivedi, D.R.Novel organic receptors N3R1- N3R3 were developed for the selective colorimetric recognition of arsenite ions in the organo-aqueous media. In the 50% aq. acetonitrile media and 70% aq. DMSO media, receptors N3R2 and N3R3 showed specific sensitivity and selectivity towards arsenite anions over arsenate anions. Receptor N3R1 showed discriminating recognition of arsenite in the 40% aq. DMSO medium. All three receptors formed a 1:1 complex with arsenite and stable for a pH range of 6–12. The receptors N3R2 and N3R3 achieved a detection limit of 0.008 ppm (8 ppb) and 0.0246 ppm, respectively, for arsenite. Initial hydrogen bonding on binding with the arsenite followed by the deprotonation mechanism was well supported by the UV–Vis titration, 1H- NMR titration, electrochemical studies, and the DFT studies. Colorimetric test strips were fabricated using N3R1- N3R3 for the on-site detection of arsenite anion. The receptors are also employed for sensing arsenite ions in various environmental water samples with high accuracy. © 2023 Elsevier B.V.Item Colorimetric differentiation of arsenite and arsenate anions using a bithiophene sensor with two binding sites: DFT studies and application in food and water samples(Royal Society of Chemistry, 2024) K, K.; Nityananda Shetty, A.N.; Trivedi, D.R.Chemosensor N7R1 with two acidic binding sites was synthesized, and the ability of the sensor to differentiate arsenite and arsenate in the organo-aqueous medium was evaluated using colorimetric sensing methods. N7R1 distinguished arsenite with a peacock blue color and arsenate with a pale green color in a DMSO/H2O (9 : 1, v/v) solvent mixture. The specific selectivity for arsenite was achieved in DMSO/H2O (7 : 3, v/v). The sensor demonstrated stability over a pH range of 5 to 12. The computed high binding constant of 9.3176 × 1011 M−2 and a lower detection limit of 11.48 ppb for arsenite exposed the chemosensor's higher potential for arsenite detection. The binding mechanism with a 1 : 2 binding process is confirmed using UV-Vis and 1H NMR titrations, electrochemical studies, mass spectral analysis and DFT calculations. Practical applications were demonstrated by utilizing test strips and molecular logic gates. Chemosensor N7R1 successfully detected arsenite in real water samples, as well as honey and milk samples. © 2024 The Royal Society of Chemistry.