A giant magnetocurrent (>100%) is observed in the electrochemical system based on tertiary amines at room temperature. This giant magnetocurrent is ascribed to spin-dependent deprotonation during the oxidation of tertiary amines. This presents a new approach of using spin-dependent deprotonation to generate giant magnetocurrent in electrochemical reactions.

The first comprehensive theoretical investigation of structural, energetic, and electronic changes in a sumanene skeleton, C21H12, upon a step-wise deprotonation process is performed. This study is complemented by a detailed consideration of aromaticity in target bowl-shaped systems, including neutral sumanene and its three deprotonated anions, namely C21H111-, C21H102-, and C21H93-. In order t...

Deprotonation of organic acids at aqueous surfaces has important implications in atmospheric chemistry and other disciplines, yet it is not well-characterized or understood. This article explores the interactions of formic acid (FA), including ionization, in collisions at the air-water interface. Ab initio molecular dynamics simulations with dispersion-corrected density functional theory were u...

Traditional C-H bond activation by a concerted metalation-deprotonation (CMD) mechanism involves precoordination of the C-H bond followed by deprotonation from an internal base. Reported herein is a "through-arene" activation of an uncoordinated benzylic C-H bond that is 6 bonds away from a Rh(III) ion. The mechanism, which was investigated by experimental and DFT studies, proceeds through a de...

Activation of the coenzyme ThDP was studied by measuring the kinetics of deprotonation at the C2 carbon of thiamin diphosphate in the enzymes pyruvate decarboxylase, transketolase, pyruvate dehydrogenase complex, pyruvate oxidase, in site-specific mutant enzymes and in enzyme complexes containing coenzyme analogues by proton/deuterium exchange detected by 1H-NMR spectroscopy. The respective dep...

We have carried out a mixed molecular dynamics and centroid path integral simulation using a combined quantum mechanical and molecular mechanical (QM/MM) potential to study the anomalous Brønsted relationship between rates and equilibria for deprotonation of nitroalkanes in water, which is known as the nitroalkane anomaly. The deprotonation process is catalyzed by nitroalkane oxidase. Our resul...

The syntheses of two functionalized xanthenes are described which after deprotonation represent ligands for dinuclear metal complexes. For the previously prepared [Xanthdim]H2 – which after deprotonation leads to a ligand with two adjacent β -diiminato binding sites – a significantly improved synthetic procedure is described involving the Pd catalyzed coupling of two diethyl malonate moieties t...