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Exchange Rate Constants of Invisible Protons in Proteins Determined by NMR Spectroscopy

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Amplitude and phase reconstruction for Low-Energy Electron Holography of individual proteins

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Single-molecule imaging methods are of importance in structural biology, and specifically in the imaging of proteins, since they can elucidate conformational variability and structural changes that might be lost in imaging methods relying on averaging proc ...

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Nitrous oxide (N2O) has gained much interest because of its physiological effects ("laughing gas") and its negative environmental impact ("greenhouse gas", "ozone-depleting substance"): It has a lifetime of more than 100 years in the atmosphere. Its persis ...

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Three-membered cyclic digermylenes stabilised by an N-heterocyclic carbene dagger

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Treatment of potassium salts of silole dianions with donor stabilised germanium dichlorides gave the anticipated silagermafulvenylidenes R2Si = Ge(Do) (R2Si = 1-silacyclopentadiendiyl, Do = N-heterocyclic carbene (NHC)) only as transient intermediates in a ...

2021

MAS NMR Studies of Hierarchical Interplay in Protein Dynamics

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The functionality of proteins is governed by the interplay between their structure and dynamics. Thus, understanding the mechanism and nature of protein motion is essential to understand their biological activity. Here we present and evaluate a novel metho ...

EPFL2021

Control and Characterization of the Compactness of Single-Chain Nanoparticles

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Polymers when self-cross-linked into single-chain nanoparticles bear some resemblance to folded proteins; yet proteins have clear energy landscapes that determine precisely folded structures, while single-chain polymer nanoparticles (SCNPs) have more undef ...

American Chemical Society2021

Pure Isotropic Proton Solid State NMR

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Resolution in proton solid state magic angle sample spinning (MAS) NMR is limited by the intrinsically imperfect nature of coherent averaging induced by either MAS or multiple pulse sequence methods. Here, we suggest that instead of optimizing and perfecti ...

2021

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Solving native structures of such large molecules, like biomolecules, is often challenging, particularly due to the potentially infinite number of non-covalent interactions with water. In this thesis, we report the use of cold ion gas-phase action spectros ...

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The Role of Alkyl Chain Length and Halide Counter Ion in Layered Dion−Jacobson Perovskites with Aromatic Spacers

Michael Graetzel, Jacques-Edouard Moser, Jovana Milic, Joachim Maier, Michael Allan Hope, George Cameron Fish, Algirdas Ducinskas

Layered hybrid perovskites based on Dion−Jacobson phases are of interest to various optoelectronic applications. However, the understanding of their structure−property relationships remains limited. Here, we present a systematic study of Dion−Jacobson pero ...

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A Geometric Transformer for Structural Biology: Development and Applications of the Protein Structure Transformer

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Proteins, the central building blocks of life, play pivotal roles in nearly every biological function. To do so, these macromolecular structures interact with their surrounding environment in complex ways, leading to diverse functional behaviors. The predi ...

EPFL2023

Theory and simulations of homonuclear three-spin systems in rotating solids

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The homonuclear dipolar coupling is the internal spin interaction that contributes the most to the line shapes in magic-angle-spinning (MAS) H-1 NMR spectra of solids, and linewidths typically extend over several hundred Hertz, limiting the H-1 resolution. ...

2021

Bulk Hyperpolarization of Inorganic Materials

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Solid-state NMR spectroscopy is a well-established method to obtain atomic-level information about the structure of inorganic materials, but its use is often limited by low sensitivity. We review how solvent generated dynamic nuclear polarization can be us ...

2021

Hierarchy of the Components in Spray-Dried, Protein-Excipient Particles Using DNP-Enhanced NMR Spectroscopy

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Protein-based drugs are becoming increasingly important, but there are challenges associated with their formulation (for example, formulating stable inhalable aerosols while maintaining the proper long-term stability of the protein). Determining the morpho ...

Amer Chemical Soc2023

Two-dimensional Pure Isotropic Proton Solid State NMR

David Lyndon Emsley, Manuel Cordova, Pinelopi Moutzouri, Bruno Simões de Almeida, Daria Torodii

One key bottleneck of solid-state NMR spectroscopy is that H-1 NMR spectra of organic solids are often very broad due to the presence of a strong network of dipolar couplings. We have recently suggested a new approach to tackle this problem. More specifica ...

Wiley-VCH Verlag GmbH2023

Efficient ab initio semiclassical dynamics for linear and nonlinear electronic spectroscopy

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Molecular spectroscopy is an essential experimental technique in both fundamental physical sciences and applied research. For example, electronic spectroscopy, in which light induces a change in the electronic state of a molecule, is a powerful tool for st ...

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Time-Resolved Spectroscopy of Selective Catalytic Reduction (SCR) Catalysts under Transient Conditions

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Understanding the mechanisms behind chemical transformations is key to developing improved catalytic systems. To this end, operando spectroscopy has contributed significantly to the advancement of our molecular view of many reactions at the heart of the ch ...

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NMR Crystallography in the Big Data Era: New Methods and Applications Powered by Machine Learning

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Structure determination of materials is key to understanding their physical properties. While single-crystal X-ray diffraction is the gold standard for structures displaying long-range order, many materials of interest are polycrystalline and/or disordered ...

EPFL2023