The fields of theoretical and computational chemistry have come a long way since their
inception in the mid-20th century. Fifty years ago, only rudimentary approximations for very …

High-frequency and-field electron paramagnetic resonance (HFEPR), in its current
configuration (frequencies up to 1THz; fields up to 35T), has been applied to transition metal …

In the photosynthetic reaction center from Rhodobacter sphaeroides, the primary (QA) and
secondary (QB) electron acceptors are both ubiquinone-10, but with very different properties …

FTIR difference spectroscopy is widely used to probe molecular bonding interactions of
protein-bound electron transfer cofactors. The technique is particularly attractive because it …

A catalytically active tryptophan radical has been demonstrated to be involved in the long‐
range electron transfer to the heme cofactor of lignin peroxidase (LiP) from Phanerochaete …

Quinones are widely used electron transport cofactors in photosynthetic reaction centers.
Previous studies have suggested that the structure of the quinone cofactors and the protein …

Specific isotopic labeling at the residue or substituent level extends the scope of different
spectroscopic approaches to the atomistic level. Here we describe 13C isotopic labeling of …

Quinones or coenzyme Q are central components of most respiratory and photosynthetic
electron transfer chains. They play a unique role in membrane enzymology, acting not only …

Ubiquinone is an almost universal, membrane-associated redox mediator. Its ability to
accept either one or two electrons allows it to function in critical roles in biological electron …

Previously we have shown that ONIOM type (QM/MM) calculations can be used to simulate
isotope edited FTIR difference spectra for neutral ubiquinone in the QA binding site in …