A suitably fabricated ternary nanocomposite (Cu-CuO@rGO-SiO2) as a sustainable and common heterogeneous catalyst for C-S, C-O and C-N coupling reactions.

A hybrid composite based on π-electron rich reduced graphene oxide (rGO) and mesoporous silica (SiO2) was prepared and decorated with copper species to afford a ternary nanocomposite material (Cu-CuO@rGO-SiO2). This copper-based nanocomposite was successfully used as a robust and multi-tasking heterogeneous catalyst for most common cross-coupling reactions (e.g. C-S, C-O and C-N coupling). A broad range of catalytic activities are believed to be originated from the synergism of different co-existing copper species (Cu(0) and CuO) and facile charge transfer from the metal ions towards rGO-SiO2 matrices, as established from XPS and other studies.

Molecular iodine catalyzed C(sp2)-H sulfenylation of biologically active enaminone compounds under mechanochemical conditions and studies on their biocidal activity including molecular docking and DFT.

Here we demonstrated a solvent free, mechanochemical I2 catalyzed C(sp2)-H sulfenylation of enaminones under grinding condition. Only catalytic amount of I2 is required on silica surface without any external heating. The reaction time has reduced to a great extent in comparison to their solution based counterpart. The frictional energy created by ball-mill on mesoporous silica materials has attracted much attention towards this mechanochemical approach for molecular heterogeneous catalysis. Their large surface area and well defined porous architecture certainly increase the catalytic ability of iodine in this developed protocol. Anti-microbial activities of our synthesized compounds were investigated against two gram positive (Staphylococcus aureus and Bacillus cereus) and two gram negative (Escherichia coli and Klebsiella pneumonia) bacteria. To understand the potency of these compounds (3a-3m) as antimalarial agents, molecular docking studies were also performed. Density functional theory was also used to investigate the chemical reactivity and kinetic stability of the compound 3a-3m.

Influence of ortho group in rhodamine B hydrazide based Schiff base for selective recognition of Cu2+ and Fe3+ ions: A mechanistic approach by DFT and colorimetric studies.

Herein we have implemented a computational approach in designing sensor molecules for the selective recognition of Cu2+ and Fe3+ ions. Seven rhodamine B hydrazide-based Schiff base derivatives were designed and analysed their chemosensing properties against Cu2+ and Fe3+ ions in ethanol solution theoretically. The theoretical calculations revealed that the selective recognition of Cu2+ and Fe3+ ions takes place via spirolactam ring-opening and there is a pivotal role of ortho substituents and N-heteroatoms. The two best chemosensors were synthesised and used for the detection of Cu2+ and Fe3+ ions by colorimetric methods.

Amine-functionalized graphene oxide nanosheets (AFGONs): an efficient bifunctional catalyst for selective formation of 1,4-dihydropyridines, acridinediones and polyhydroquinolines.

We report here selective formation of functionalized 1,4-dihydropyridines (DHP), acridinediones and polyhydroquinolines in high yields using amine-functionalized graphene oxide nanosheets (AFGONs) as the bifunctional catalyst. The method overcomes the limitations of previous protocols affording a mixture of DHP and pyridine derivatives using graphene oxide as the catalyst. The mild reaction conditions are found compatible with a wide range of functional groups. It is presumed that a cooperative effect between the acidic and basic functionalities present in AFGONs may have exerted high catalytic efficiency as well as prevented further oxidation to pyridine derivatives. A plausible mechanism is proposed on the basis of some control experiments. The reactions can be scaled up conveniently, and the catalyst can be recycled for five consecutive runs without loss of its activity.

Editing soft shadows in a digital photograph.

This technique for modeling, editing, and rendering shadow edges in a photograph or a synthetic image lets users separate the shadow from the rest of the image and make arbitrary adjustments to its position, sharpness, and intensity.