Synthesis,structure, photophysical,and electrochemical properties of donor–acceptor ferrocenyl derivatives

A series of donor–acceptor compounds 2–6 have been synthesized, via Knoevenagel condensation reaction (using conventional method, as well as microwave method). The ferrocene unit acts as a donor, conjugated phenyl–acetylene linker act as a π-electron relay unit, and malononitrile, cyanoacetic acid, and indanone groups act as acceptor. The electronic absorption spectra displayed a broad intramolecular charge transfer (CT) band in the visible region (450–650 nm). The electrochemical studies suggest considerable donor–acceptor interaction. The single crystal X-ray structure of 2, and 3 are reported, the structure reveals that 2 is nearly planar compared to 3. The supramolecular structure of 2 exhibits intramolecular C–H–π, and C–H–N interaction, which leads to formation of 2D network, whereas compound 3 shows head to tail dimer formation through C–H–π, and π–π interaction.     

Alkylation of Unsaturated Aldehyde and Allylic Bisacetate With Organomanganese Reagents in Presence of Tetrakis Acetonitrile Copper(I) Tetrafluroborate

The conjugate addition of organomanganese reagents to α,β‐unsaturated aldehydes and allylic bisacetate in presence of Me₃Si‐Cl and tetrakis acetonitrile copper(I) tetrafluroborate is described.     

Micron Particles of AlN/Al: Efficient,Novel, and Reusable Heterogeneous Catalyst for the Synthesis of Bis(indolyl)methanes

The present work introduces for the first time the catalytic utility of micron particulate aluminium nitride (AlN/Al) as a novel and reusable heterogeneous catalyst for the synthesis of bis(indolyl)methanes involving the electrophilic substitution of indoles on aldehydes. The catalyst is recyclable and works without any significant change in its catalytic activity.     

Facile access to 3-cyano-4-azaindoles via a modified Madelung indole synthesis

An unprecedented methodology for the facile synthesis of 2-substituted 3-cyano-4-azaindoles using modified Madelung synthesis is described. The methodology relies on acid and amine coupling under very mild conditions.     

Lipase mediated separation of triterpene structural isomers, α- and β-amyrin

Pentacyclic triterpenoids α- and β-amyrin possess a wide range of biological and pharmacological activities. High structural similarity between these two structural isomers makes their chromatographic separation an ineffective and tedious choice. In this study, Candida rugosa lipase catalyzed separation protocol for the isolation of individual isomers has been developed. In the presence of vinyl acetate as the acyl donor, Candida rugosa lipase carried out acetylation of β-amyrin more efficiently as compared to α-amyrin leading to a kinetic separation. The conditions of transesterification reaction were optimized systematically, which was utilized to separate α- and β-amyrin from a mixture obtained from the latex of Plumeria obtusa.     

Cu2O/CuO Electrocatalyst for Electrochemical Reduction of Carbon Dioxide to Methanol

Herein, we report the controlled and direct fabrication of Cu₂O/CuO thin film on the conductive nickel foam using electrodeposition route for the electrochemical reduction of carbon dioxide (CO₂) to methanol. The electrocatalytic reduction was performed in CO₂ saturated aqueous solution consisting of KHCO₃, pyridine and HCl at room temperature. CO₂ reduction was carried out at a constant potential of −1.3 V for 120 min to study the electrochemical performance of the prepared electrocatalysts. Cu₂O/CuO shows better electrocatalytic activity with highest current density of 46 mA/cm². The prepared catalyst can be an efficient and selective electrode for the production of methanol.     

Metal-free oxidative aromatization of 2-aryloxycyclohex-2-en-1-ones to 2-aryloxyphenols using DDQ/Amberlyst-15

Efficient metal-free oxidative aromatization of 2-aryloxycyclohex-2-en-1-ones was achieved by a combination of 2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ) and Amberlyst-15. The conditions for oxidative aromatization are mild and applicable for a variety of substrates, and Amberlyst-15 can be successfully recovered and recycled.     

Microbial Leaching of Waste Solder for Recovery of Metal

This study proposes an environment-friendly bioleaching process for recovery of metals from solders. Tin-copper (Sn-Cu), tin-copper-silver (Sn-Cu-Ag), and tin-lead (Sn-Pb) solders were used in the current study. The culture supernatant of Aspergillus niger removed metals faster than the culture supernatant of Acidithiobacillus ferrooxidans. Also, the metal removal by A. niger culture supernatant is faster for Sn-Cu-Ag solder as compared to other solder types. The effect of various process parameters such as shaking speed, temperature, volume of culture supernatant, and increased solder weight on bioleaching of metals was studied. About 99 (±1.75)?% metal dissolution was achieved in 60 h, at 200-rpm shaking speed, 30 °C temperature, and by using 100-ml A. niger culture supernatant. An optimum solder weight for bioleaching was found to be 5 g/l. Addition of sodium hydroxide (NaOH) and sodium chloride (NaCl) in the bioleached solution from Sn-Cu-Ag precipitated tin (85?±?0.35 %) and silver (80?±?0.08 %), respectively. Passing of hydrogen sulfide (H₂S) gas at pH 8.1 selectively precipitated lead (57.18?±?0.13 %) from the Sn-Pb bioleached solution. The proposed innovative bioleaching process provides an alternative technology for recycling waste solders to conserve resources and protect environment.     

Structural insight into exosite binding and discovery of novel exosite inhibitors of botulinum neurotoxin serotype A through in silico screening

Botulinum neurotoxin serotype A (BoNT/A) is the most lethal toxin among the Tier 1 Select Agents. Development of potent and selective small molecule inhibitors against BoNT/A zinc metalloprotease remains a challenging problem due to its exceptionally large substrate binding surface and conformational plasticity. The exosites of the catalytic domain of BoNT/A are intriguing alternative sites for small molecule intervention, but their suitability for inhibitor design remains largely unexplored. In this study, we employed two recently identified exosite inhibitors, D-chicoric acid and lomofungin, to probe the structural features of the exosites and molecular mechanisms of synergistic inhibition. The results showed that D-chicoric acid favors binding at the α-exosite, whereas lomofungin preferentially binds at the β-exosite by mimicking the substrate β-sheet binding interaction. Molecular dynamics simulations and binding interaction analysis of the exosite inhibitors with BoNT/A revealed key elements and hotspots that likely contribute to the inhibitor binding and synergistic inhibition. Finally, we performed database virtual screening for novel inhibitors of BoNT/A targeting the exosites. Hits C1 and C2 showed non-competitive inhibition and likely target the α- and β-exosites, respectively. The identified exosite inhibitors may provide novel candidates for structure-based development of therapeutics against BoNT/A intoxication.     

Bio-surfactant: a green and environmentally benign reaction medium for ligand-free Pd-catalyzed Mizoroki–Heck cross-coupling reaction in water

Transition Metal Chemistry - A simple and efficient protocol for the ligand-free Mizoroki–Heck coupling reaction of various aryl bromides with different olefins has been reported by using in...