Chiral Self-Assembly of a Pyrene-Appended Glutamylalanine Dipeptide and Its Charge Transfer Complex: Fabrication of Magneto-Responsive Hydrogels and Human Cell Imaging.

The formation of a robust, self-healing hydrogel of a novel pyrene-appended dipeptide, Py-E-A (L-Glutamic acid short as E; L-Alanine short as A) is demonstrated. Detailed studies suggest that nanoscopic fibers with a length of several micrometers have formed by chiral self-organization of Py-E-A gelators. Additionally, live human PBMCs imaging is shown using the Py-E-A fluorophore.

Uncovering Integrated Dual-State ESIPT-Conductivity, Redox-Capacity, and Opto-Electronic Responses Toward Hg(II)/ Cr(III) of Aliphatic Fluorescent Polymers.

Excited-state intramolecular proton transfer (ESIPT)-associated dual-state emissive aliphatic dual-light emitting conducting polymers (DLECPs) having oxidation-reduction capacities are prepared polymerizing 2-acrylamido-2-methylpropane-1-sulfonic acid, methacrylic acid, and 2-methyl-3-(N-(2-methyl-1-sulfopropan-2-yl)acrylamido)propanoic acid monomers. Of as-synthesized DLECPs, nuclear magnetic resonance (NMR) and Fourier transform infrared (FTIR) spectroscopies, fluorescent enhancements (I/I), and computational investigation indicate intriguing photophysical features in DLECP3 (optimum composition). In DLECP3, ─CONH─, ─CON<, and ─COOH subluminophores are recognized by density-functional theory (DFT)/time-dependent-DFT calculations and experimental investigations.

Exploring Through-Space Charge Transfer-Mediated Optoelectrochemical Properties of Dual-State Luminescent Aliphatic Polymers and Optoelectronic Responses toward Metal Ions.

Herein, natural-synthetic hybrid dual-state luminescent conducting polymers (DLCPs/DLCP1-DLCP8) possessing significant optoelectrochemical properties are strategically developed by the polymerization of prop-2-enamide, cis-butenedioic acid, 2-acrylamido-2-methylpropane-1-sulfonic acid, and in situ-generated 2-(3-acrylamidopropanamido)-2-methylpropane-1-sulfonic acid alongside the grafting of gum tragacanth. The spectroscopic data of aliphatic DLCPs affirm DLCP7 as the most stable supramolecular assembly endowing optoelectronic properties. Computational calculations identified -C(═O)NH-, -C(═O)OH, -OH, and -SOH as subluminophores.

New routes towards azomethine ylide generation from prolines to synthesize diverse -heterocycles: a DFT supported -selective mechanism.

Azomethine ylides are generated using either organocatalysts or metal catalysts a ballet of decarboxylative C-N coupling choreographed by prolines. These strategies enable diastereoselective [3 + 2] cycloaddition, C-C coupling, and ring annulation, providing sustainable routes. The synthesized pyrrolizines and other heterocycles have potential applications in the development of crucial biomolecules and pharmaceuticals.

Ceria-Graphene Oxide Nanocomposite for Electro-oxidation of Urea: An Experimental and Theoretical Investigation.

This study explores the potential of ceria-graphene oxide (CeO-GO) nanocomposites as efficient electrocatalysts for urea electro-oxidation (UOR). This work combines experimental and theoretical investigations and characterization techniques confirm the successful formation of the CeO embedded on graphene oxide sheets. UOR activity was found to be dependent on both OH and urea concentrations.

2-Pyridone-Directed Cu-Catalyzed General Method of C(sp)-H Activation for C-S, C-Se, and C-N Cross-Coupling: Easy Access to Aryl Thioethers, Selenide Ethers, and Sulfonamides and DFT Study.

We have demonstrated -substituted 2-pyridones as an ,-directing group for selective C(sp)-H-activated thiolation, selenylation, and sulfonamidation of ortho C-H bonds of benzamides. This method utilizes a cost-effective Cu(II)-salt catalyst instead of precious metal catalysts, achieving high yields, including gram-scale synthesis and excellent functional group tolerance. We applied this protocol to access 30 different compounds with high yields, demonstrating thiolation of fluorine-substituted benzamides as well.

Cu-Catalyzed cis-Selective Synthesis of Ketoepoxides from Phenacyl Bromides and Water.

A verity of α,β-ketoepoxides was synthesized using a Cu-catalyzed oxidative C-C/O-C coupled cyclization strategy with high yield and cis-selectivity. Water is used as the source of oxygen and phenacyl bromide as the carbon in the valuable epoxides. The self-coupling method was extended to cross-coupling between phenacyl bromides with benzyl bromides.

Bio-functionalized magnetic nanoparticles for cost-effective adsorption of U(vi): experimental and theoretical investigation.

U(vi) removal using cost-effective (production cost: $14.03 per kg), biocompatible, and superparamagnetic (CT) leaf extract-coated magnetite nanoparticles (CT@MNPs or CT@FeO nanoparticles) from water resources was studied. From pH-dependent experiments, the maximum adsorption efficiency was found to be at pH 8.

Designed and synthesizedANTPABA-PDI nanomaterial as an acceptor in inverted solar cell at ambient atmosphere.

In this work, a novel soluble and air-stable electron acceptor containing perylenediimide moiety named ANTPABA-PDI was designed and synthesized with band gap 1.78eV and that was used as non-fullerene acceptor material. ANTPABA-PDI possess not only good solubility but also much lower LUMO (lowest unoccupied molecular orbital) energy level.

Comparative study of the efficiency of silicon carbide, boron nitride and carbon nanotube to deliver cancerous drug, azacitidine: A DFT study.

Herein we have made a comparative study of the efficiency of three different nanotubes viz. Carbon nanotube (CNT), boron nitride nanotube (BNNT) and silicon carbide nanotube (SiCNT) to deliver the cancerous drug, Azacitidine (AZD). The atomistic description of the encapsulation process of AZD in these nanotubes has been analyzed by evaluating parameters like adsorption energy, electrostatic potential map, reduced density gradient (RDG).