[HTML][HTML] Electronic structure and magnetic anisotropy design of functional metal complexes

A Raza, M Perfetti - Coordination Chemistry Reviews, 2023 - Elsevier
Chemical guidelines to target a well-defined electronic structure and magnetic anisotropy
are of primary importance in physics, chemistry and biology. Our literature overview …

Recent advances in NMR protein structure prediction with ROSETTA

J Koehler Leman, G Künze - International Journal of Molecular Sciences, 2023 - mdpi.com
Nuclear magnetic resonance (NMR) spectroscopy is a powerful method for studying the
structure and dynamics of proteins in their native state. For high-resolution NMR structure …

Quercetin@ Gd 3+ doped Prussian blue nanocubes induce the pyroptotic death of MDA-MB-231 cells: combinational targeted multimodal therapy, dual modal MRI …

P Sahoo, P Jana, S Kundu, S Mishra… - Journal of Materials …, 2023 - pubs.rsc.org
Quercetin (Qu), a potential bioflavonoid has gained considerable interest as a promising
chemotherapeutic drug which can inhibit the proliferation of triple-negative breast cancer …

Synthesis, X-ray structure and magnetic properties of the apically functionalized monocapped cobalt (ii) tris-pyridineoximates possessing SMM behaviour

AS Belov, SA Belova, NN Efimov, VV Zlobina… - Dalton …, 2023 - pubs.rsc.org
The title cobalt (II) pseudoclathrochelate complexes possess an intermediate trigonal
prismatic–trigonal antiprismatic geometry. As follows from PPMS data, they exhibit an SMM …

Paramagnetic NMR to study iron sulfur proteins: 13C detected experiments illuminate the vicinity of the metal center

L Querci, D Grifagni, IB Trindade, JM Silva… - Journal of Biomolecular …, 2023 - Springer
The robustness of NMR coherence transfer in proximity of a paramagnetic center depends
on the relaxation properties of the nuclei involved. In the case of Iron-Sulfur Proteins …

[HTML][HTML] Bayesian optimization to estimate hyperfine couplings from 19F ENDOR spectra

H Wiechers, A Kehl, M Hiller, B Eltzner… - Journal of Magnetic …, 2023 - Elsevier
ENDOR spectroscopy is a fundamental method to detect nuclear spins in the vicinity of
paramagnetic centers and their mutual hyperfine interaction. Recently, site-selective …

Paramagnetic nuclear magnetic resonance: The Toolkit

L Querci, L Fiorucci, E Ravera, M Piccioli - Inorganics, 2023 - mdpi.com
Nuclear Magnetic Resonance (NMR) spectroscopy is the ideal tool to address the structure,
reactivity and dynamics of both inorganic and biological substances. The knowledge of …

[HTML][HTML] Paramagnetic NMR restraints for the characterization of protein structural rearrangements

G Parigi, E Ravera, M Piccioli, C Luchinat - Current Opinion in Structural …, 2023 - Elsevier
Mobility is a common feature of biomacromolecules, often fundamental for their function.
Thus, in many cases, biomacromolecules cannot be described by a single conformation, but …

NMR of Paramagnetic Proteins: 13C Derived Paramagnetic Relaxation Enhancements Are an Additional Source of Structural Information in Solution

L Querci, IB Trindade, M Invernici, JM Silva, F Cantini… - Magnetochemistry, 2023 - mdpi.com
In paramagnetic metalloproteins, longitudinal relaxation rates of 13C′ and 13Cα nuclei can
be measured using 13C detected experiments and converted into electron spin-nuclear spin …

A review on recent advances in methods for site-directed spin labeling of long RNAs

K Huang, X Fang - International Journal of Biological Macromolecules, 2023 - Elsevier
RNAs are important biomolecules that play essential roles in various cellular processes and
are crucially linked with many human diseases. The key to elucidate the mechanisms …