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Bridging Native and Intrinsic Structures of Microhydrated Biomolecules by Cold Ion Spectroscopy

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Publications associées (49)

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A Deep Learning Model for Chemical Shieldings in Molecular Organic Solids Including Anisotropy

Florian Mathieu Pascal Viscosi, Ruben Rodriguez Madrid, David Lyndon Emsley, Michele Ceriotti, Matthias Linus Kellner, Jacob Brian Holmes, Yuxuan Zhang

Nuclear Magnetic Resonance (NMR) chemical shifts are powerful probes of local atomic and electronic structure that can be used to resolve the structures of powdered or amorphous molecular solids. Chemical shift driven structure elucidation depends critical ...

AMER CHEMICAL SOC2025

Investigating the intra-molecular and inter-molecular effects of post-translational modifications on intrinsically disordered protein regions and structured protein regions

Zhidian Zhang

Post-translational modifications (PTMs) play a pivotal role in regulating protein structure, interaction, and function. Aberrant PTM patterns are associated with diseases. Moreover, individual PTMs have a complex interaction with each other, known as PTM c ...

EPFL2024

Can increasing the size and flexibility of a molecule reduce decoherence and prolong charge migration?

Jiri Vanicek, Alan Scheidegger

Coherent superposition of electronic states, created by ionizing a molecule, can initiate ultrafast dynamics of the electron density. Correlation between nuclear and electron motions, however, typically dissipates the electronic coherence in only a few fem ...

NAS2025

Photogeneration of Hydrogen: Insights from a Pt(II)-Complex Incorporated into a Covalent Organic Framework

Federico De Biasi

Pt(II)-based molecular catalysts stand as a prototypical system in hydrogen evolution reactions (HER) owing to their consistently elevated activity levels. Their integration into heterogeneous systems thus provides an ideal platform to develop catalytic ma ...

Wiley-VCH Verlag2024

CO Adsorption Dynamics during CO2 Electrolysis in Aprotic Organic Electrolytes

Qiucheng Xu

Carbon dioxide electrolysis (CO 2 E) in fully aprotic organic electrolytes primarily yields oxalate (C 2 O 4 2−), carbon monoxide (CO), and carbonate (CO 3 2−). To understand this system, we investigated the adsorption dynamics in the CO adsorption region ...

American Chemical Society (ACS)2025

Microsecond Time-Resolved Cryo-Electron Microscopy

Oliver Florian Harder

Recently, single-particle cryo-electron microscopy emerged as a technique capable of determining protein structures at near-atomic resolution and resolving protein dynamics with a temporal resolution ranging from second to milliseconds. This thesis describ ...

EPFL2024

Investigation of room-temperature single-photon emitters in GaN-based materials and GaN/AlN quantum dots

Johann Nicolaï Stachurski

Over the past decade, quantum photonics platforms aiming at harnessing the fundamental properties of single particles, such as quantum superposition and quantum entanglement, have flourished. In this context, single-photon emitters capable of operating at ...

EPFL2024

Top-Down and Middle-Down Mass Spectrometry of Antibodies

Natalia Gasilova, Laure Menin

This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional c ...

Elsevier BV2025

Computational design of complex protein folds and soluble analogs of membrane proteins

Casper Alexander Goverde

Proteins are the molecular machines of life, driving essential biological processes such as enzymatic catalysis, cellular signaling, and immune responses. The ability to design entirely new proteins with desired structures and functions has immense implica ...

EPFL2025

A Multiscale Bayesian Approach to Quantification and Denoising of Energy-dispersive X-ray Data

Cécile Hébert, Duncan Thomas Lindsay Alexander, Pau Torruella Besa

Energy dispersive x-ray (EDX) spectrum imaging yields compositional information with a spatial resolution down to the atomic level. However, experimental limitations often produce extremely sparse and noisy EDX spectra. Under such conditions, every detecte ...

IOP Publishing Ltd2025

Electron beam-based direct writing of nanostructures using a palladium β-ketoesterate complex

Chinmai Sai Jureddy, Patrik Willi Hoffmann

Gas-assisted focused electron beam-induced deposition (FEBID) as a direct, minimally invasive 3D nanopatterning tool offers many advantages in making nanostructures with complex shapes and novel compositions for evolving nanotechnological applications. In ...

BEILSTEIN-INSTITUT2025

Large-cage occupation and quantum dynamics of hydrogen molecules in sII clathrate hydrates

Richard Gaal, Livia Eleonora Bove Kado, Umbertoluca Ranieri

Hydrogen clathrate hydrates are ice-like crystalline substances in which hydrogen molecules are trapped inside polyhedral cages formed by the water molecules. Small cages can host only a single H-2 molecule, while each large cage can be occupied by up to f ...

Aip Publishing2024

Supramolecular Polymer Brushes Grafted via Atom Transfer Radical Polymerization from Surfaces Presenting Non-covalent, Host-Guest Complex-Based Initiators

Harm-Anton Klok, Friederike Katharina Metze

This paper describes the synthesis of supramolecular polymer brushes via surface-initiated polymerization from adamantane-functionalized initiators that are noncovalently bound to beta-cyclodextrin- or cucurbit[7]uril-modified substrates. Surface-initiated ...

American Chemical Society2025

Development of tools and methods for protein identification: From single molecules to in vivo applications

Salome Riccarda Püntener

As the fundamental machinery orchestrating cellular functions, proteins influence the state of every cell profoundly. As cells exhibit significant variations from one to another, analyzing the proteome on a single-cell level is imperative to unravel their ...

EPFL2024

Advanced Silicon and SWIR Single-Photon Avalanche Diodes: Design, Simulation, and Characterization

Ekin Kizilkan

Low-level light detection with high spatial and timing accuracy is a growing area of interest by virtue of applications such as light detection and ranging (LiDAR), biomedical imaging, time-resolved Raman spectroscopy, and quantum applications. Single-phot ...

EPFL2024

Thermalization and criticality on an analogue-digital quantum simulator

Andreas Martin Läuchli Herzig

Understanding how interacting particles approach thermal equilibrium is a major challenge of quantum simulators(1,2). Unlocking the full potential of such systems towards this goal requires flexible initial state preparation, precise time evolution and ext ...

NATURE PORTFOLIO2025

Aldehyde-Stabilization Strategies for Building Biobased Consumer Products around Intact lignocellulosic Structures

Jeremy Luterbacher, Songlan Sun, Lorenz Perry Manker, Shasha Zheng

Dwindling fossil resources and their associated environmental concerns have increased interest in biobased products. In particular, many approaches to convert lignocellulosic biomass into small-molecule building blocks are being explored via thermal, chemi ...

American Chemical Society2025

Predicting protein interactions using geometric deep learning on protein surfaces

Freyr Sverrisson

In the domain of computational structural biology, predicting protein interactions based on molecular structure remains a pivotal challenge. This thesis delves into this challenge through a series of interconnected studies. The first chapter introduces th ...

EPFL2024

Design and assessment of an evaporating water-cooled methanation reactor for a SOE-based power-to-methane system

Philippe Aubin

The transition towards clean renewable energy sources, where wind and solar are prone to variation, requires adequate energy storage. Power-to-methane (PtM) systems can be part of the solution. Specifically, solid-oxide-electrolyser (SOE) based PtM systems ...

EPFL2024

Biobased Composites from Eugenol- and Coumarin-Derived Methacrylic Latex and Hemp Nanocellulose: Cross-Linking via [2+2] Photocycloaddition and Barrier Properties

Yves Leterrier, Sara Dalle Vacche

A novel-biobased latex was synthesized by redox-initiated emulsion copolymerization of ethoxy dihydroeugenyl methacrylate with 5 wt % of a photosensitive methacrylate containing a coumarin group. A stable copolymer latex having 16 wt % solids content and a ...

Amer Chemical Soc2024