In the current work, globally based on Koopmans’ approximation, local electron transport characteristics of dihydroxybenzenes have been examined using density functional theory for understanding their antioxidant activity. Our experimental and theoretical studies show that hydroquinone has better activities when compared to resorcinol catechol. To identify sites each dihydroxybenzene molecule, ...

Biological macromolecules involved in electron transfer reactions display chains of closely packed redox cofactors when long distances must be bridged. This is a consequence of the need to maintain a rate of transfer compatible with metabolic activity in the framework of the exponential decay of electron tunneling with distance. In this work intermolecular electron transfer was studied in kinet...

Two-dimensional (2D) transition metal chalcogenides such as 2D MoS2 are considered prime candidate materials for the design of next generation optoelectronics. Functionalisation of these materials is considered to be a key step in tailoring their properties towards specific applications and unlocking their full potential. Here we present a van der Waals functionalisation strategy for creating M...

Two compounds containing a porphyrin dimer and a perylene tetracarboxylic diimide (PDI) linked by phenyl (1) or ethylene groups (2) are prepared. The photophysical properties of these two compounds are investigated by steady state electronic absorption and fluorescence spectra and lifetime measurements. The ground state absorption spectra reveal intense interactions between the porphyrin units ...

Up to now, various empty carbon fullerenes with different magic number "n", such as C10, Cow Cm, Cso,Cis** Cm and so on. have been obtained. The calix[n]arenes are a class of chalice-like rnacrocyclicmolecules that have attracted widespread attention as complex molecules with liquid crystal behaviors.These classes of compounds are cyclic ohgomers synthessid by condensation of a para-alkylated p...

The relationships between the color intensities of polyimide films and the electronic properties of their source materials-aromatic diamines and aromatic tetracarboxylic dianhydrides-are discussed. The arrangement of the diamine moieties in order of color intensity of polyimides shows fairly good agreement with the order of the electron-donating properties of the diamines estimated from 15N NMR...

The crystal structure of Anabaena PCC 7119 ferredoxin-NADP+ reductase (FNR) suggests that the carboxylate group of Glu301 may be directly involved in the catalytic process of electron and proton transfer between the isoalloxazine moiety of FAD and FNR substrates (NADPH, ferredoxin, and flavodoxin). To assess this possibility, the carboxylate of Glu301 was removed by mutating the residue to an a...