The design, synthesis, and in vitro evaluation of the first macrocyclic inhibitor of 3C and 3C-like proteases of picornavirus, norovirus, and coronavirus are reported. The in vitro inhibitory activity (50% effective ...

Spin-unrestricted calculations and time-dependent DFT were used to characterize structure and reactivity of 1-methyl-8-nitronaphthalene (1) in the triplet state. Four hybrid models (B3LYP, PBE0, MPW1K, BHLYP) with significantly ...

In this study we investigated the multi-stage collision-induced dissociation (CID) of N-terminally acetylated di-, tri- and tetrapeptides in the form of C-terminal ethyl, n-propyl, isopropyl, n-butyl and tert-butyl esters ...

We describe herein the design and in vitro biochemical evaluation of a novel class of mechanism-based inhibitors of human leukocyte elastase (HLE) that inactivate the enzyme via an unprecedented enzyme-induced sulfonamide ...

A series of mechanism-based inhibitors designed to interact with the S' subsites of serine proteases was synthesized and their inhibitory activity toward the closely-related serine proteases human neutrophil elastase (HNE) ...

Tris(quinolinolate)aluminum(III) (AlQ3) is the most widely used molecule in organic light-emitting devices. There exists a strong demand for understanding the photochemical and photophysical events originating from this ...

Relationships between ionizable group content, structure and molecular weight, solubility and solution behaviour, and the efficacy of ionic complex formation through complex coacervation, have been established for a range ...

In pulsed optically detected magnetic resonance (ODMR) spectroscopy, a lock-in amplifier is used to monitor the signal which is phase-matched to the duty cycle of an applied sequence of pulses. However, since the desired ...