Human manganese superoxide dismutase is a critical oxidoreductase found in the mitochondrial matrix. Concerted proton and electron transfers are used by the enzyme to rid the mitochondria of O₂^•−. The mechanisms of concerted transfer enzymes are typically unknown due to the difficulties in detecting the protonation states of specific residues and solvent molecules at particular redox states.

Dioxgyen (O₂) activation and reduction are not only vital for aerobic life, but also essential to industrial applications such as sustainable fuel cells. Dioxgyen is clean, abundant, and a powerful four-electron oxidant, but also kinetically inert and requires activation.

            The incorporation of boron into conjugated organic molecules has emerged as a useful strategy to elicit interesting optical and electronic properties which cannot be obtained with the analogous all-carbon systems. Thus, the synthesis of organoboron heterocycles has been a topic of intense investigation across main-group, organic, and inorganic chemistry, as well as materials science.

Magnetic Resonance Imaging is a diagnostic method used to image organs and soft tissue in the body. The instrument relies on the use of magnets and radiofrequency radiation to examine the proton nuclei of water within tissue and organs. Through use of contrast agents, the images acquired can have improved detail which is critical for diagnoses of tumors, inflammation, and other abnormalities. These agents utilize paramagnetic metals to induce magnetic effects on the protons, enabling a change in proton relaxivity.

Four constitutional isomers of diindium dihydride have been studied utilising rigorous quantum mechanical methods. Geometries were optimised with the CCSD(T) method using the aug-cc-pwCVTZ basis set and a small-core pseudopotential for the indium atoms. Relative energetics were determined at the CCSD(T)/CBS level of theory, and the higher order δT(Q) contributions are also computed. The monobridged and vinylidene-like isomers lie 10.8 and 13.6 kcal mol⁻¹ above the planar dibridged isomer, respectively.

Glycosaminoglycans (GAGs) are linear anionic polysaccharides that play many important biological functions such as cell-signaling, cell recognition, inflammation, angiogenesis on the cell surface¹. However, the structural heterogeneity of GAGs and their low abundance in biological systems have made their analysis difficult².

Determining the unique isomeric structures of lipids is vital to understanding their biochemical functions in organisms. Distinct lipid isomers have been directly linked to a variety of disease states and properties of cellular membranes. Being able to distinguish between C=C positional isomers has proven to be particularly difficult. Traditional methods of C=C position elucidation included complex derivatization of the parent lipids before analysis could be performed.

Bile acids (BA) are synthesized in the liver from cholesterol and utilized by the body through primary taurine and glycine (de)conjugation, while secondary BA salts undergo de-hydroxylation, dehydration, and epimerization of the cholesterol backbone. They have been linked to several well understood and unknown disease states in systems biology. Structural characterization of bile acid derivatives continues to be a challenge in metabolomic studies.