Carboxylate complexes have risen to prominence in the field of water oxidation catalysis. Here we use the higher valence of phosphinates [PV] relative to that of carboxylates [CIV] to increase ligand denticity…
Tricyclic nucleobase analogues have emerged as a promising category of fluorescent bases which minimize perturbation of B-form DNA and retain fluorescence when base paired and stacked…
Polyurea, a thermoset elastomer consisting of inter-dispersed domains of hard and soft segments, is a technologically exciting material for many different implementations, particularly for impact mitigation in civilian and military applications…
Fluorescent nucleobase analogues (FNAs) are important tools for the study of DNA and RNA structure and dynamics. They report on their immediate surroundings via their fluorescence responses, such as changes in fluorescence intensity or wavelength…
Polyurea, a thermoset polymer, is hypothesized to undergo morphological changes during dynamic loading, explicating its superior impact mitigation properties…
DFT calculations are used to study the effect of heterocyclic ligands attached to a Co-porphyrin catalyst (Co-PMOF) on the molecular orbitals and free energies of the conversion from CO2 to CO…
Siderophores are multidentate iron chelating ligands that are produced by bacteria to sequester iron. Aerobactin and petrobactin are two citrate-containing siderophores that undergo light-induced decarboxylation through a ligand-to-metal charge transfer when coordinated with Fe(III)…
Tricyclic cytidine (tC) analogs are important fluorescent base analogs (FBAs) due to the tunability of their photophysical response base pairing and base stacking via electron donating and withdrawing groups…
The finite element method has been applied to obtain more accurate partition functions for the vibrational modes along the isomerization coordinates that connect the relocalization pairs formed by abstraction of a central hydrogen from 1,3-butadiene and from acrolein…