Hydrogen atom transfer (HAT) is a salient feature of many enzymatic C–H cleavage
mechanisms. In systems where kinetic isolation of HAT is achieved, selective labeling of …

Lipoxygenases (LOXs) are enzymes that catalyze dioxygenation of polyunsaturated fatty
acids into fatty acid hydroperoxides. The formed fatty acid hydroperoxides are of interest as …

The enzyme soybean lipoxygenase (SLO) provides a prototype for deep tunneling
mechanisms in hydrogen transfer catalysis. This work combines room temperature X-ray …

One of the most important topics in molecular biology is the genetic stability of DNA. One
threat to this stability is proton transfer along the hydrogen bonds of DNA that could lead to …

The coupling of electron and proton transfer is critical for chemical and biological processes
spanning a wide range of length and time scales and often occurring in complex …

Understanding molecular mechanisms of enzymatic reactions is of vital importance in
biochemistry and biophysics. Here, we introduce new functions of hybrid quantum …

The Born–Oppenheimer approximation, which assumes that the electrons respond
instantaneously to the motion of the nuclei, breaks down for a wide range of chemical and …

The present Review is an attempt by projecting the basic knowledge on photochemical
proton transfer to achieve consistent understanding of proton motions in biocatalysis …

We present a multitopology molecular fragmentation approach, based on graph theory, to
calculate multidimensional potential energy surfaces in agreement with post-Hartree–Fock …

Phenol-benzimidazole and phenol-pyridine dyad complexes have served as popular model
systems for the study of proton-coupled electron transfer (PCET) kinetics in solution-phase …