Faculty Publications
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Item Colorimetric receptors for naked eye detection of inorganic fluoride ion in aqueous media using ICT mechanism(Royal Society of Chemistry, 2012) Kigga, M.; Nityananda Shetty, A.N.; Trivedi, D.R.A new series of receptors were designed and synthesized based on benzohydrazide for the colorimetric detection of fluoride ion. The receptors L1 and L2 are highly selective towards fluoride ion over other anions. These receptors are able to detect inorganic fluoride such as NaF in aqueous solutions. The presence of two carbonyl groups in the receptor molecule makes the -NH proton highly acidic and hence these receptors are capable of competing with water molecules to bind fluoride ion. The receptors L1 and L2 showed a significant colour change from colourless to yellow in aqueous solutions of NaF with a ??max of 149 nm and 147 nm respectively. The mechanism involved in the colour change was deprotonation, formation of imidic acid intermediate followed by stabilization of complex through Intramolecular Charge Transfer (ICT). This was further confirmed by 1H NMR titrations where the formation of imidic acid was observed. The receptor L1 proved itself to be potentially useful for real-life applications by detecting fluoride ion quantitatively in sea water and commercially available mouth wash. © 2012 The Royal Society of Chemistry.Item Optimization of Fenton’s oxidation of herbicide dicamba in water using response surface methodology(Springer Verlag, 2017) Sangami, S.; Manu, B.In this study Fenton’s oxidation of dicamba in aqueous medium was investigated by using the response surface methodology. The influence of H2O2/COD (A), H2O2/Fe2+ (B), pH (C) and reaction time (D) as independent variables were studied on two responses (COD and dicamba removal efficiency). The dosage of H2O2 (5.35–17.4 mM) and Fe2+ (0.09–2.13 mM) were varied and optimum percentage removal of dicamba of 84.01% with H2O2 and Fe2+ dosage of 11.38 and 0.33 mM respectively. The whole oxidation process was monitored by high performance liquid chromatography (HPLC) along with liquid chromatography/mass spectrometry (LC/MS). It was found that 82% of dicamba was mineralized to oxalic acid, chloride ion, CO2 and H2O, which was confirmed with COD removal of 81.53%. The regression analysis was performed, in which standard deviation (<4%), coefficient of variation (<8), F value (Fisher’s Test) (>2.74), coefficient of correlation (R2 = Radj2) and adequate precision (>12) were in good agreement with model values. Finally, the treatment process was validated by performing the additional experiments. © 2017, The Author(s).Item Photoluminescence Quenching in Metal Ion (Cu2+, Co2+) Interacted Graphene Quantum Dots(Wiley-VCH Verlag info@wiley-vch.de, 2017) Mishra, P.; Badekai Ramachandra, B.R.Graphene quantum dots (GQD) are nanosized fragments of graphene with finite band gap. Thus, GQDs show excellent photoluminescence (PL) and also possess good electrochemical properties. In the present study, we synthesized GQDs via hydrothermal (HT) method using Graphene oxide as prepared from improved Hummer's method as a precursor with several modifications. The effect of the variation in the photoluminescence and electrochemical properties of the as-prepared GQDs were studied. Average particle size of the as-synthesized GQDs was roughly 30 nm and produced blue PL on excitation with a wavelength of 365 nm. On reacting the GQDs with Cupric Nitrate and Cobalt Nitrate in separate batches, a significant decrease in the intensity of PL was observed. This quenching of PL of GQDs has been utilized in the qualitative estimation of Metal ion (Cu2+ and Co2+) species in aqueous media. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, WeinheimItem Structural and dynamical properties of water in surfactant-like peptide-based nanotubes: Effect of pore size, tube length and charge(Elsevier B.V., 2021) Dilip, H.N.; Chakraborty, D.Atomistic molecular dynamics simulations were carried out to study the structural and dynamical properties of water molecules around pre-assembled surfactant-like peptide (SLP) nanotubes in aqueous media. These SLPs can be thought as a class of biocompatible and biodegradable surfactants for biomedical applications. Nanotube-like structures were considered where glycine and lysine (G6K) are taken as the constituents for the composition of the SLPs. The nanotubes considered were of different dimensions; such as 18 × 15 (number of peptides on the circumference x number of peptides layers), 18 × 12 and 16 × 12 for both charged and neutral analogues. The charged composition consists of protonated nitrogen in the lysine subunit and chlorine/bromine as counter ions. It is found that the neutral SLPs have less hydrated inner core consisting of more tetrahedral water compared to their charged analogues. The hydrogen bond lifetime of water-water and water-peptide molecules increases in the inner pore and found to be maximum for charged 16 × 12 system. Outside the pore, charged analogue of 18 × 15 have more water-water hydrogen bond lifetime compared to all other systems. However, protein-water hydrogen bond lifetime was found to be more for neutral analogues outside the pore due to more probable interactions of SLPs with water molecules. © 2020 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.Item Photocatalytic Degradation of Chlorpyrifos and Tetracycline in Aqueous Medium Using Silver Titanate Perovskite Nanoparticles(Springer Science and Business Media Deutschland GmbH, 2024) Joseph, A.; Raval, K.; Manirethan, V.Near-infrared (NIR) active silver titanate perovskite (AgTiO3)-based photocatalysis is a potential method for degrading organic pollutants due to its unique structural features, compositional flexibility, and affordability. Herein, we have synthesized novel NIR-active AgTiO3 nanoparticles with a low band gap of 0.92 eV via the hydrothermal method using Ananas comosus leave extract, which is a major agricultural waste worldwide. The produced AgTiO3 nanoparticles were characterized using Fourier Transform Infrared (FTIR) spectroscopy investigations, X-ray photoelectron spectroscopy (XPS), Scanning electron microscopy (SEM), Transmission electron microscopy (TEM) and Energy dispersive X-ray spectroscopy (EDS). The photocatalytic activities of the AgTiO3 nanoparticles toward the degradation of tetracycline and chlorpyrifos under UV, visible, NIR, and solar light irradiation were carefully examined, and the photocatalytic mechanism was proposed using liquid chromatography-mass spectrometry (LC-MS) and high-performance liquid chromatography (HPLC). AgTiO3 nanoparticles completely degraded tetracycline and chlorpyrifos within 27 min and 21 min, respectively. The increased efficiency of AgTiO3 nanoparticles produced by green synthesis over conventional photocatalysts points to a potential advancement avenue for water treatment systems. Furthermore, using agricultural waste like leftover pineapple leaves not only lessens the impact on the environment but also solves the issue of cost when putting these technologies into practice on a larger scale. © The Author(s), under exclusive licence to Springer Nature Switzerland AG 2024.Item Heterocyclic-based optical responsive chemosensors for the detection of arsenite and phosphate in semi-aqueous medium: Application in logic gate operations, RGB tool, and DFT studies(Elsevier B.V., 2025) Hebbar, S.D.; Trivedi, D.R.Highly selective and sensitive organic chemosensors S2R1-S2R3 were synthesized using thienyl-substituted pyridine derivative and characterized by various spectroscopic techniques. The effect of substituents on selectivity is observed in the chemosensors S2R1 through S2R3, with the rate of reactivity toward ions following the trend as -NO2 > -CN > –OCH3 group. The chemosensor S2R1 exhibited selectivity towards arsenite and phosphate, achieving a Limit of Detection (LOD) of 0.2672 ppm and 0.5042 ppm, respectively, in 30% aq. (CH3)2SO solution. It was also observed that S2R2 was selective for PO43? ions in 100% (CH3)2SO solution with an LOD of 0.521 ppm. The spectral redshifts observed in the organo-aqueous media potentializes the sensor to be colorimetrically active. The probe S2R1 showed the lowest LOD and high binding constant with AsO2? and PO43? ions. Other characterization techniques, such as electrochemical studies, 1H NMR titration, UV–visible titration, and DFT experiments, demonstrated the sensing mechanism of arsenite and phosphate ions with the chemosensors through an intermolecular hydrogen bonding and intermolecular charge transfer (ICT) process followed by its practical applicability for real world-sensing. © 2024 Elsevier B.V.