Density functional theory

M Orio, DA Pantazis, F Neese - Photosynthesis research, 2009 - Springer
Density functional theory (DFT) finds increasing use in applications related to biological
systems. Advancements in methodology and implementations have reached a point where …

International consensus guidelines for the definition, detection, and interpretation of autophagy-dependent ferroptosis

X Chen, AS Tsvetkov, HM Shen, C Isidoro… - Autophagy, 2024 - Taylor & Francis
Macroautophagy/autophagy is a complex degradation process with a dual role in cell death
that is influenced by the cell types that are involved and the stressors they are exposed to …

Nanoscale Fe2O3-Based Catalysts for Selective Hydrogenation of Nitroarenes to Anilines

RV Jagadeesh, AE Surkus, H Junge, MM Pohl… - Science, 2013 - science.org
Production of anilines—key intermediates for the fine chemical, agrochemical, and
pharmaceutical industries—relies on precious metal catalysts that selectively hydrogenate …

N2 Reduction and Hydrogenation to Ammonia by a Molecular Iron-Potassium Complex

MM Rodriguez, E Bill, WW Brennessel, PL Holland - Science, 2011 - science.org
The most common catalyst in the Haber-Bosch process for the hydrogenation of dinitrogen
(N2) to ammonia (NH3) is an iron surface promoted with potassium cations (K+), but soluble …

Physiologically relevant reconstitution of iron-sulfur cluster biosynthesis uncovers persulfide-processing functions of ferredoxin-2 and frataxin

S Gervason, D Larkem, AB Mansour… - Nature …, 2019 - nature.com
Abstract Iron-sulfur (Fe-S) clusters are essential protein cofactors whose biosynthetic defects
lead to severe diseases among which is Friedreich's ataxia caused by impaired expression …

[HTML][HTML] Trends in biomedical analysis of red blood cells–Raman spectroscopy against other spectroscopic, microscopic and classical techniques

J Dybas, FC Alcicek, A Wajda, M Kaczmarska… - TrAC Trends in …, 2022 - Elsevier
Application of modern and innovative spectroscopic and microscopic approaches to
biomedical analysis opens new horizons and sheds new light on many unexplored scientific …

[HTML][HTML] Mössbauer spectroscopy of Fe/S proteins

ME Pandelia, ND Lanz, SJ Booker, C Krebs - Biochimica et Biophysica Acta …, 2015 - Elsevier
Abstract Iron-sulfur (Fe/S) clusters are structurally and functionally diverse cofactors that are
found in all domains of life. 57 Fe Mössbauer spectroscopy is a technique that provides …

The cation diffusion facilitator proteins MamB and MamM of Magnetospirillum gryphiswaldense have distinct and complex functions, and are involved in magnetite …

R Uebe, K Junge, V Henn, G Poxleitner… - Molecular …, 2011 - Wiley Online Library
Magnetotactic bacteria form chains of intracellular membrane‐enclosed, nanometre‐sized
magnetite crystals for navigation along the earth's magnetic field. The assembly of these …

[HTML][HTML] Unusual structures and unknown roles of FeS clusters in metalloenzymes seen from a resonance Raman spectroscopic perspective

G Caserta, L Zuccarello, C Barbosa, CM Silveira… - Coordination Chemistry …, 2022 - Elsevier
The universe of known biological FeS clusters is constantly enlarging. Besides the
conventional, well described [2Fe–2S],[3Fe–4S] and cubane [4Fe–4S] clusters, novel …

Biochemical reconstitution and spectroscopic analysis of iron–sulfur proteins

SA Freibert, BD Weiler, E Bill, AJ Pierik… - Methods in …, 2018 - Elsevier
Abstract Iron–sulfur (Fe/S) proteins are involved in numerous key biological functions such
as respiration, metabolic processes, protein translation, DNA synthesis, and DNA repair. The …