Principles and applications of EPR spectroscopy in the chemical sciences

MM Roessler, E Salvadori - Chemical Society Reviews, 2018 - pubs.rsc.org
Electron spins permeate every aspect of science and influence numerous chemical
processes: they underpin transition metal chemistry and biochemistry, mediate …

Analysis of photosynthetic systems and their applications with mathematical and computational models

S Badu, R Melnik, S Singh - Applied Sciences, 2020 - mdpi.com
In biological and life science applications, photosynthesis is an important process that
involves the absorption and transformation of sunlight into chemical energy. During the …

Hyperfine and Nuclear Quadrupole Tensors of Nitrogen Donors in the QA Site of Bacterial Reaction Centers: Correlation of the Histidine Nδ Tensors with Hydrogen …

AT Taguchi, PJ O'Malley, CA Wraight… - The Journal of …, 2014 - ACS Publications
X-and Q-band pulsed EPR spectroscopy was applied to study the interaction of the QA site
semiquinone (SQA) with nitrogens from the local protein environment in natural abundance …

Theoretical Characterisation of Phosphinyl Radicals and Their Magnetic Properties: g Matrix

M Witwicki - ChemPhysChem, 2015 - Wiley Online Library
The g matrices (g tensors) of various phosphinyl radicals (R2P.) were calculated using the
DFT and multireference configuration interaction (MRCI) methods. The g matrices were …

Convolutional neural network analysis of two-dimensional hyperfine sublevel correlation electron paramagnetic resonance spectra

AT Taguchi, ED Evans, SA Dikanov… - The journal of physical …, 2019 - ACS Publications
A machine learning approach is presented for analyzing complex two-dimensional hyperfine
sublevel correlation electron paramagnetic resonance (HYSCORE EPR) spectra with the …

Redox Potential Tuning through Differential Quinone Binding in the Photosynthetic Reaction Center of Rhodobacter sphaeroides

JV Vermaas, AT Taguchi, SA Dikanov, CA Wraight… - Biochemistry, 2015 - ACS Publications
Ubiquinone forms an integral part of the electron transport chain in cellular respiration and
photosynthesis across a vast number of organisms. Prior experimental results have shown …

Influence of Hyperfine Coupling Strain on Two-Dimensional ESEEM Spectra from I = 1/2 Nuclei

SA Dikanov, AT Taguchi - Applied Magnetic Resonance, 2020 - Springer
HYSCORE, a variant of two-dimensional ESEEM spectroscopy, is currently one of the most
effective tools in high-resolution solid-state EPR spectroscopy. Our systematic studies of …

Determination of the Complete Spin Density Distribution in 13C-Labeled Protein-Bound Radical Intermediates Using Advanced 2D Electron Paramagnetic …

AT Taguchi, PJ O'Malley, CA Wraight… - The Journal of …, 2017 - ACS Publications
Determining the complete electron spin density distribution for protein-bound radicals, even
with advanced pulsed electron paramagnetic resonance (EPR) methods, is a formidable …

Chlorophylls as primary electron acceptors in reaction centers: a blueprint for highly efficient charge separation in bio-inspired artificial photosynthetic systems

M Gorka, P Landry, E Gruszecki, A Malnati, D Kaur… - Photosynthesis, 2023 - Elsevier
Abstract Photosynthetic Reaction Centers (RCs) can be considered blueprints for highly
efficient energy transfer. Embedded with an array of cofactors, including (bacterio) …

Hydrogen Bond Network around the Semiquinone of the Secondary Quinone Acceptor QB in Bacterial Photosynthetic Reaction Centers

AT Taguchi, PJ O'Malley, CA Wraight… - The Journal of …, 2015 - ACS Publications
By utilizing a combined pulsed EPR and DFT approach, the high-resolution structure of the
QB site semiquinone (SQB) was determined. The development of such a technique is crucial …