Design and synthesis of two armed molecular receptor for recognition of Gd³⁺ metal ion and its computational study

Abstract

New receptor Phenylene‐Bis‐Methylfuran‐yl‐2‐Methyele Acetohydrazide (PBMMA) has been synthesized by condensation of hydrazide and 5‐methyl furfural. Synthesized receptor has been fully characterized by IR, 1H NMR, 13C NMR, mass spectroscopic and thermo gravimetric analysis. The receptor PBMMA shows selective recognition potential towards Gd3+ ion when tested with several metal ions such as Na+, K+, Mg2+, Cu2+, Cd2+, Hg2+, Y3+, La3+, Eu3+, Sm3+, Gd3+, Re6+ and Th4+ ion as their sulfates by UV–visible and fluorescence spectroscopic studies. Binding nature of PBMMA with Gd3+ ion was further studied by mass spectroscopic and cyclic voltammetric studies. The stoichiometry of PBMMA‐Gd3+ ion has been established, 1:1 by Benesi‐Hildebrand plot method and method of continuous variation (Job's plot) with association affinity K = 6.491 × 104 M−1. In addition to these, molecular docking, molecular dynamic stimulation and binding energy of complex; through Density Function theory −595.66 kcal/mol has also indication of strong binding. The electron transfer energy of Higher occupied molecular orbital (HOMO) to Lower unoccupied molecular orbital (LUMO) is about 4.186 eV and 295 nm for PBMMA‐Gd3+ Complex.

Efficient synthesis of benzoacridines and indenoquinolines catalyzed by acidic magnetic dendrimer

“…Then, the (3-aminopropyl)triethoxysilane (APTMS) as a linker was grafted to the surface of Fe 3 O 4 @SiO 2 particles under nitrogen atmosphere to produce the Fe 3 O 4 @SiO 2 @PrNH 2 nanostructure 49 . In the subsequent stages, TAD dendrons (functional arms) up to generation two (G2) were constructed through a sequential and progressive nucleophilic aromatic substitution of ethanolamine on the aromatic triazine ring 34 , 50 . Ultimately, the nanoparticles were decorated with acidic groups through a reaction of active –NH and –OH groups with chlorosulfonic acid.…”

Synthesis and computational mechanistic studies of copper selective molecular receptor

“…Physical measurements were and solution preparations were carried out according to our recent research work. [11]…”

“…Generally, the appearance of new bands or changes in absorbance intensity is a useful signal of the complex formation. [11] The comparative study has also been performed with diverse metal ions in the company of Cu 2+ at the same concentration (Fig. 2).…”

“…[8,9] In the past few years, several analytical techniques and materials have been used, although the use of those techniques is either costly or sophisticated. [10][11][12][13] To meet these demands for chemical sensor a fascinating furfural based molecular receptor would be a good candidate. These molecules can be synthesized easily at room temperature in good yield and purity.…”

Extractive Spectrophotometric Detection of Sn(II) Using 6-bromo-3-hydroxy-2-(5-methylfuran-2-yl)-4H-chromen-4-one

“…Thermal Gravimetric Analysis (TGA) of the reagent was investigated using a Perkin Elmer TGA 4000 instrument at a heating rate of 5°C per minute [14].A thermal study of the BHMF reagent was analyzed in a nitrogen environment (Fig. 1a).…”