Search

A new series of benzotriazole-derived α-substituted hemiaminal ethers have been synthesized as human cholinesterase (hChE) inhibitors with enhanced activity. The synthesized compounds were extensively characterized by 1H NMR and 13C NMR spectroscopy, mass spectrometry, and SC-XRD studies. All the compounds demonstrated dual inhibition potential against acetyl and butylcholinesterases (AChE and BChE) in the in-vitro studies. Results revealed that compounds carrying the optically active (R)-menthol group demonstrated more activity than the bicyclic (R)-fenchol moiety. For instance, α-butyl-(R)-menthyl-benzotriazole derivative (5a-iii) exhibited the best AChE inhibition with an IC50 value of 44.03 nM, while its α-methyl analog (5a-i) showed promising results against BChE inhibition (IC50 = 80.74 nM). The molecular modeling study was carried out to assess the binding interactions with the target proteins to rationalize the structural–activity relationship. Subsequently, the stability of the protein–ligand complex was verified through molecular dynamics (MD) simulations. Pharmacokinetic and bioavailability parameters further supported the suitability of the new inhibitors as lead compounds for neurological disorders.

A new class of functionalized imidazolium-based Task-Specific Ionic Liquids (TSILs) is designed as low-cost bifunctional organocatalyst. New alkoxymethylimidazolium ILs are efficiently synthesized under solvent free conditions and extensively characterized by physical and spectral studies. The newly synthesized ILs demonstrate excellent catalytic potential in condensation reactions of high importance, such as the Biginelli reaction for the synthesis of medicinally important dihydropyrimidiones. The effect of the alkoxy group and counter-ions in the imidazolium salts were evaluated in detail. Moreover, computational studies were employed to explore the structural dynamics and physicochemical properties of the prepared ionic liquids. 3-(iso-butoxymethyl)-1-methyl-1H-imidazol-3-ium tetrafluoroborate (iBOMMIMBF4 7) exhibited the highest catalytic ability due to the combined influence of the alkoxy group structure, counterion nature, high electrophilicity index, and availability of the reactive C2-H. Some notable advantages of the new TSILs include efficient catalyst preparation, simple work-up procedure, recyclability, short reaction times, and excellent yields.

Abstract An efficient one pot method for the synthesis of α-alkoxymethylphosphonium iodides is developed by using PPh3/I2 combination at room temperature. Reaction conditions are found general to synthesize wide range of structurally variant alkoxymethylphosphonium iodides in high yield (70–91%). These new functionalized phosphonium salts are further used in stereoselective synthesis of vinyl ethers as well as in carbon homologation of aldehydes.

Recently, the acoustic emission (AE) technique has been widely applied in the field of geotechnical engineering. One of the main applications of this technique is to locate damage sources, which is known as the AE source location technique. In this research, the 3D AE source location technique based on the time difference of arrival is verified by conducting pencil lead break (PLB) tests on a cylindrical metal specimen. From the results of this study, the existing method is proven to have the least error in terms of distance from the coordinate origin, but with some errors along x, y, and z axes. When the PLB sources originate in the middle part of the specimen, the calculated result has a higher accuracy, as compared to other positions. It seems that the calculated AE sources tend to be concentrated on the central part with some errors. Moreover, outside noises induced by a hammer hit have virtually no effect on this AE source location technique.