Oxygen activation and radical transformations in heme proteins and metalloporphyrins

X Huang, JT Groves - Chemical reviews, 2017 - ACS Publications
As a result of the adaptation of life to an aerobic environment, nature has evolved a panoply
of metalloproteins for oxidative metabolism and protection against reactive oxygen species …

Structure and function of haemoglobins

DA Gell - Blood Cells, Molecules, and Diseases, 2018 - Elsevier
Haemoglobin (Hb) is widely known as the iron-containing protein in blood that is essential
for O 2 transport in mammals. Less widely recognised is that erythrocyte Hb belongs to a …

Synthetic Fe/Cu complexes: toward understanding heme-copper oxidase structure and function

SM Adam, GB Wijeratne, PJ Rogler, DE Diaz… - Chemical …, 2018 - ACS Publications
Heme-copper oxidases (HCOs) are terminal enzymes on the mitochondrial or bacterial
respiratory electron transport chain, which utilize a unique heterobinuclear active site to …

K-and L-edge X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) determination of differential orbital covalency (DOC) of transition …

ML Baker, MW Mara, JJ Yan, KO Hodgson… - Coordination chemistry …, 2017 - Elsevier
Continual advancements in the development of synchrotron radiation sources have resulted
in X-ray based spectroscopic techniques capable of probing the electronic and structural …

Probing the active site in single-atom oxygen reduction catalysts via operando X-ray and electrochemical spectroscopy

HT Lien, ST Chang, PT Chen, DP Wong… - Nature …, 2020 - nature.com
Nonnoble metal catalysts are low-cost alternatives to Pt for the oxygen reduction reactions
(ORRs), which have been studied for various applications in electrocatalytic systems …

Metal–organic frameworks as O 2-selective adsorbents for air separations

DE Jaramillo, A Jaffe, BER Snyder, A Smith, E Taw… - Chemical …, 2022 - pubs.rsc.org
Oxygen is a critical gas in numerous industries and is produced globally on a gigatonne
scale, primarily through energy-intensive cryogenic distillation of air. The realization of large …

The hyperporphyrin concept: A contemporary perspective

CC Wamser, A Ghosh - JACS Au, 2022 - ACS Publications
The Gouterman four-orbital model conceptualizes porphyrin UV–visible spectra as
dominated by four frontier molecular orbitals─ two nearly degenerate HOMOs and two …

Probing the oxidation state of transition metal complexes: a case study on how charge and spin densities determine Mn L-edge X-ray absorption energies

M Kubin, M Guo, T Kroll, H Löchel, E Källman… - Chemical …, 2018 - pubs.rsc.org
Transition metals in inorganic systems and metalloproteins can occur in different oxidation
states, which makes them ideal redox-active catalysts. To gain a mechanistic understanding …

Applications of large-scale density functional theory in biology

DJ Cole, NDM Hine - Journal of Physics: Condensed Matter, 2016 - iopscience.iop.org
Density functional theory (DFT) has become a routine tool for the computation of electronic
structure in the physics, materials and chemistry fields. Yet the application of traditional DFT …

Discovery of the magnetic behavior of hemoglobin: A beginning of bioinorganic chemistry

KL Bren, R Eisenberg, HB Gray - Proceedings of the …, 2015 - National Acad Sciences
Two articles published by Pauling and Coryell in PNAS nearly 80 years ago described in
detail the magnetic properties of oxy-and deoxyhemoglobin, as well as those of closely …