Resolving Protein–Ligand Binding Pathways by NMR Relaxation: Conformational Selection vs Induced Fit Protein–ligand binding is essential for biological function. A long-standing question is whether ligand binding occurs via conformational selection (CS) or induced fit (IF). Using relaxation dispersion experiments with varying ligand concentration, we measured the 4-state binding kinetics encompassing both the CS and IF […]
Advancing Magnetic (Resonance) Methods to Track Processes inParamagnetic Battery Electrodes Solid-state NMR has become an indispensable tool for quantifying defects and tracking the nature and reversibility of local structure changes in battery electrode materials during charge and discharge. Yet, probing paramagnetically concentrated systems with NMR remains extremely challenging. Achieving sufficient spectral resolution requires low magnetic […]
Ultra-Wideline Solid-State NMR Spectroscopy with Applications to Battery Materials and (Inter)Metallic Phases This talk will introduce recent advancements in ultra-wideline NMR techniques, focusing on the design principles of WURST pulses for optimal recording of ultra-wideline WCPMG NMR spectra, ultrafast WURST pulses for nuclei with short T2/T2*, and the incorporation of WCPMG under MAS conditions (WCPMG-MAS). […]
Stability of MOFs in the presence of water by solid-state NMR The stability of MOFs in the presence of water is a key factor for their performance in numerous applications. We demonstrated that quadrupolar nuclei like 17O and 91Zr offer unique insight into the inorganic cluster of MOFs such as Zirconium-based UiO-66, despite the low […]
Nuclear and Electron Spins and their Interactions NMR and Electron Paramagnetic Resonance (EPR) share much in common, but the much larger magnetic moment of the electron spin give rise to distinct practical differences given the much higher frequency range accessed in EPR spectroscopy. I will discuss some methods such as ENDOR and DNP where both […]
Title to be announced Abstract to be announced. 8:00 AM California or 11:00 AM Boston or 5:00 PM Paris or 9:30 PM Delhi
One, two, three… many. What modern pulse EPR knows about nuclei In recent years, understanding the role of nuclear environment in pulse electron paramagnetic resonance (EPR) spectroscopy has been vigorously boosted. In particular, many advances were made in the investigation of nuclear-induced electron spin decoherence kinetics. In this talk, we review these mechanisms, illustrated by […]
In-cell NMR in human cells: from protein maturation to real-time ligand screening In-cell NMR spectroscopy is a unique approach to study protein structure and function in the native cellular environment at atomic resolution. Here I will provide an overview of how NMR analysis of human cells expressing isotope labelled proteins allows monitoring functional processes such […]
Quantum Sensing using Optical Readout of Single Spins Magnetic resonance with inductive detection is applicable to a vast range of substances and materials, including living beings. For some specific applications, however, the sensitivity of inductive detection is not sufficient. An interesting alternative consists in coupling the spins with optical photons. This can enhance the polarization […]
Photochemically induced dynamic nuclear polarization for dye-sensitized solid-state NMR spectroscopy Photochemically induced dynamic nuclear polarization (photo-CIDNP) is a hyperpolarization technique that can provide NMR signal enhancement factors of orders of magnitude under light irradiation of the sample. Here, I will show how photo-CIDNP could be used to establish a light-induced hyperpolarization protocol to improve the […]
NMR Indirect Spin-Spin Coupling Constants – Measurements from the Earth’s Magnetic Field to 21 Tesla (900 MHz for 1H NMR) I will begin by briefly talking about the history of indirect spin-spin coupling constants. Next, first-order NMR spectra, “through-space” NMR spectra, isotope effects on observed spin-spin coupling constants. Earth’s magnetic field NMR spectra, analysis of […]
SpinDrops and QuBeads – Two Complementary Software Toolkits for the Exact and Intuitive Visualization of Spin Dynamics in NMR and Quantum Information Experiments We introduce SpinDrops and QuBeads, two related software programs for dynamically simulating and visualizing operators, particularly the density operator, in NMR spectroscopy and quantum information processing using mathematically exact and complete graphical […]
