Crystal Structure, Spectral investigations, DFT and Antimicrobial activity of Brucinium Benzilate (BBA)

The unreported Brucinium Benzilate (BBA) crystal and hirshfeld surface analysis indicated the influence of intramolecular hydrogen bonding network. The protonation of tertiary nitrogen occurs as it is most basic. The protonated N-H+ proton was observed at 7.08 ppm and the benzilate carbon COO- at 178.41 ppm. Molecular electrostatic potential (MEP) studies indicated the electron-rich and electron-deficient sites in the molecule for understanding BBA interaction with an enzyme. Frontier molecular orbital (FMO) studies indicated that it is thermodynamically stable and HOMO-LUMO energy gap was found to be 4.454 eV. The highest interaction as the energy (322.86 kcal/mol) between tertiary ammonium N(LP) and H+. The compound showed the inhibition of Bacillus cereus and Salmonella typhimurium bacteria. ADMET properties indicated that BBA has drug characteristics in binding plasma protein.

An uncoordinatedly tertiary nitrogen based tricarboxylate Calcium network with Lewis acid-base dual catalytic sites for cyanosilylation of aldehydes

The design and utilization of dual sites for synergistic catalysts has been recognised as an efficient method towards high-efficiency catalysis in the cyanosilylation of aldehydes, which gives the key intermediates...

FR901483: Synthetic Efficiency Remains a Challenge

FR901483 is a unique alkaloid bearing an aza-tricyclic structure, a phosphate group, and a congested tertiary nitrogen center. This alkaloid was reported to be a potent immunosuppressant with antimetabolite ability. The unprecedented architecture has captured imagination of synthetic chemists since its isolation in 1996. To date, ten total or formal syntheses and several synthetic approaches to access the tricyclic core skeleton have been reported. In this review, we highlight the novel synthetic methods and strategies and discuss the synthetic challenge for meeting the criteria of drug development.1 Introduction2 Bioinspired Total Synthesis of FR9014833 Non-bioinspired Approaches toward FR9014834 Various Tactics for Accessing the Core Skeleton5 Challenges for Efficiency

Corrigendum to: Synthesis and Characterization of a New Group of Exo-Coordinating O2N2-Donor Macrocycles

The reaction of 15–18 membered benzodiazacrown ethers with salicylaldehyde afforded n-membered O2N2-donor macrocyclic ligands mounted with 1,3-diazacyclohexane subrings (1–4) in high yields. The products were characterized by FT-IR, 1H, 13C NMR spectroscopy, elemental analyses, and single crystal X-ray studies. The solid state structures revealed strong intramolecular hydrogen bonding between the pendant phenolic group and the tertiary nitrogen of the corresponding macroring.

Mineral Filled Porous Composites Based on Polyvinylpyrrolidone Copolymers with Bactericidal Properties

The polymerization of 2-hydroxyethylmethacrylate compositions with polyvinylpyrrolidone has been investigated in the presence of mineral fillers (hydroxyapatite, montmorillonite and wollastonite). The influence of the nature and amount of mineral filler on polymerization kinetics and composition of copolymers has been determined. In the composite structure silver particles were obtained via silver nitrate reduction by polyvinylpyrrolidone tertiary nitrogen. The synthesized silver-containing composites possess bactericidal properties against E. colі and S. aureus bacteria, in particular.