Cu(i)-catalysed 1,2,3-triazole stitched chalcomer assembly as Pb(ii) and Cu(ii) ion sensor: DFT and docking scrutiny

RSC Advances, Journal Year: 2023, Volume and Issue: 13(46), P. 32399 - 32412

Published: Jan. 1, 2023

Herein, a 1,2,3-triazole derivative (CBT), synthesized using the Copper(i) catalyzed Alkyne Azide Cycloaddition (CuAAC) procedure, based on chalcone skeleton has been reported, that was implemented as an effective sensor for Pb(ii) and Cu(ii) ions. The CBT characterized spectroscopic techniques such FTIR, NMR (1H 13C), mass spectrometry. sensing behaviour of analyzed UV-Vis spectroscopy, demonstrating selective ions, competitively. correlation plot revealed detection limit ions to be 100 μM 110 respectively. In addition, DFT simulations molecular electrostatic potential (MEP) studies scrutinized binding strategy free its orientation towards metal in metal-ligand complex. probe predicted via online platform Way2drug pharmacological properties, investigating possibility inhibit early atherosclerosis. subsequently docked TRIB1 protein AutoDock Vina demonstrated high affinity with value -6.2 kcal mol-1.

Language: Английский

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Ligand-Engineered Structural and Physiochemical Properties of 1D Molybdenum-MOFs: A Seldom Explored System for Photocatalytic Applications

Inorganic Chemistry, Journal Year: 2024, Volume and Issue: 63(33), P. 15270 - 15282

Published: Aug. 6, 2024

As one of the seldom explored systems, molybdenum-based metal-organic frameworks (Mo-MOFs) with different ligands such as terephthalic acid (Mo-TA), 2-aminoterephthalic (Mo-ATA), benzenetricarboxylic (Mo-BTC), 2-methylimidazole (Mo-2MI), 2-bipyridine (Mo-2bpy), and 4-bipyridine (Mo-4bpy) were developed in this study. X-ray diffraction (XRD), Raman, attenuated total reflectance-infrared (ATR-IR) analyses confirmed ligand-dependent crystal structure Mo-MOFs along characteristic functional groups present respective systems. Interestingly, morphology all these was found to be a one-dimensional rod-like structure, which attributed binding nature onto growing Mo-frameworks. Optical analysis indicated that exhibit ultraviolet (UV) light absorption properties band gap energy range 3.47-3.03 eV. Among various developed, Mo-4bpy MOF degraded maximum ∼76 62% malachite green Congo red dyes, respectively, under sunlight irradiation. The observed improved photocatalytic efficiency its appropriate edge potential, by Mott-Schottky analysis, carrier lifetime (∼34.6 ns) estimated using time-resolved photoluminescence (TRPL) spectrum, presence elements stable oxidation states system photoelectron spectroscopy (XPS), charge transfer characteristics, decreased recombination resistance, impedance PL analyses, respectively. degradation MOFs mediated superoxide (

Language: Английский

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Copper based metal organic framework decorated with gold nanoparticles as a new electrochemical sensor material for the detection of L-Cysteine in milk samples

Journal of Food Science and Technology, Journal Year: 2023, Volume and Issue: 61(3), P. 585 - 595

Published: Oct. 13, 2023

Language: Английский

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CuI Coordination Polymer‐Catalyzed Azide–Alkyne Cycloaddition Click Reaction at Room Temperature

European Journal of Inorganic Chemistry, Journal Year: 2023, Volume and Issue: 27(2)

Published: Nov. 2, 2023

Abstract Framework based compounds for eco‐friendly catalysis is of utmost industrial interest. Cu I ‐catalyzed “click” reactions are a class highly efficient and widely used chemical in organic synthesis potential applications biotechnology, medicine, polymer, material sciences. The importance click chemistry also acknowledge by 2022 Noble Prize chemistry. One the most well‐known copper‐catalyzed azide‐alkyne cycloaddition (CuAAC), which type Huisgen 1,3‐dipolar reaction. Herein, three stable copper(I)‐coordination polymers (CPs), [Cu(4‐ABPT)Cl], CP‐1 ; [Cu(4‐ABPT)Br], CP‐2 [Cu 2 (4‐ABPT) 0.5 ], CP‐3 (4‐ABPT=3,5‐di(pyridine‐4‐yl)‐4H‐1,2,4‐triazol‐4‐amine) have been chosen CuAAC reaction, due to presence both Lewis acidic (copper ion), basic (pyridyl amine) sites. counter anion plays crucial role their structural motif as well catalytic efficiency. These easily synthesizable scalable catalysts exhibit trend > selective conversion phenylacetylene, benzyl bromide, sodium azide into 1,4‐cycloaddition product within h at ambient temperature solvent free reaction conditions. using catalyst exhibits near quantitative room we demonstrated bulk‐scale CPs under mild

Language: Английский

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Crystal structures and syntheses of four novel Cu(I)-MOFs with in-situ reduced of Cu(II) and highly efficient fluorescent sensor for trace nitroaromatics

Journal of Molecular Structure, Journal Year: 2023, Volume and Issue: 1300, P. 137311 - 137311

Published: Dec. 13, 2023

Language: Английский

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