Publications related to Tracking local and global structural changes in a protein by cold ion spectroscopy

Related publications (17)

Light-Induced 1H NMR Hyperpolarization in Solids at 9.4 and 21.1 T

David Lyndon Emsley, Michael Allan Hope, Federico De Biasi, Máté Visegrádi, Marcel Levien

The inherently low sensitivity of nuclear magnetic resonance (NMR) spectroscopy is the major limiting factor for its application to elucidate structure and dynamics in solids. In the solid state, nuclear spin hyperpolarization methods based on microwave-in ...

2024

Overview of T and D-T results in JET with ITER-like wall

Olivier Sauter, Duccio Testa, Benoît Labit, Holger Reimerdes, Umar Sheikh, Alessandro Pau, Matteo Vallar, Olivier Claude Martin Février, Cristian Sommariva, Carl Mathias Paul Hoppe, Cassandre Ekta Contré, Samuele Mazzi, Gino Marceca, Eduardo José Lascas Neto, Mackenzie Peter-Fulford Van Rossem

In 2021 JET exploited its unique capabilities to operate with T and D-T fuel with an ITER-like Be/W wall (JET-ILW). This second major JET D-T campaign (DTE2), after DTE1 in 1997, represented the culmination of a series of JET enhancements-new fusion diagno ...

IOP Publishing Ltd2024

Novel metallic wires and their mechanical, vibrational, and thermodynamic properties from first-principles

Chiara Cignarella

One-dimensional materials have gained increasing attention in the last decades: from carbon nanotubes to ultrathin nanowires, to few-atom atomic chains, these can all display unique electronic properties and great potential for next-generation applications ...

EPFL2024

Even-odd effects in the J1-J2 SU(N) Heisenberg spin chain

Loïc Jean Pierre Herviou

The zero-temperature phase diagram of the J1-J2 SU(N) antiferromagnetic Heisenberg spin chain is investigated by means of complementary field theory and numerical approaches for general N. A fully gapped SU(N) valence bond solid made of N sites is formed a ...

2023

Diabatic quantum and classical annealing of the Sherrington-Kirkpatrick model

Andreas Martin Läuchli Herzig

Quantum annealing is a contender to solve combinatorial optimization problems based on quantum dynamics. While significant efforts have been undertaken to investigate the quality of the solutions and the required run times, much less attention has been pai ...

AMER PHYSICAL SOC2023

Spectroscopic fingerprints of iron-coordinated cobalt and iron porphyrin layers on graphene

Francesco Armillotta

Achieving control in the design of monolayer 2D functional catalysts represents a significant challenge. If that challenge is surmounted, coordinated single-metal-atom sites can offer tailored electronic configuration, ligation geometries, chemical activit ...

CELL PRESS2023

Measurement of CP asymmetries in D(s)+ -> ηπ+ and D(s)+ -> η'π+ decays

Olivier Schneider, Aurelio Bay, Guido Haefeli, Tatsuya Nakada, Frédéric Blanc, Lesya Shchutska, Elena Graverini, Michel De Cian, Vladimir Macko, Sebastian Schulte, Donal Patrick Hill, Maria Vieites Diaz, Marie Theres Christin Bachmayer, Lino Ferreira Lopes, Matthieu Philippe Luther Marinangeli, Serhii Cholak, Veronica Sølund Kirsebom, Ettore Zaffaroni, Surapat Ek-In, Ana Bárbara Rodrigues Cavalcante, Sara Celani, Renato Quagliani, Carina Trippl, Sonia Amina Bouchiba, Alison Maria Tully, Elisabeth Maria Niel, Maarten Willibrord Uriël Van Dijk

Searches for CP violation in the decays D(s)+ -> ηπ+ and D(s)+ -> η'π+ are performed using pp collision data corresponding to 6 fb(-1) of integrated luminosity collected by the LHCb experiment. The calibration channels D(s)+ -> ηπ+ and D(s)+ -> ϕπ+ are use ...

Springer Nature2023

Applicability of the Thawed Gaussian Wavepacket Dynamics to the Calculation of Vibronic Spectra of Molecules with Double-Well Potential Energy Surfaces br

Jiri Vanicek, Tomislav Begusic

Simulating vibrationally resolved electronic spectra of anharmonic systems, especially those involving double-wellpotential energy surfaces, often requires expensive quantumdynamics methods. Here, we explore the applicability andlimitations of the recently ...

AMER CHEMICAL SOC2022

Axial-Bonding-Driven Dimensionality Effect on the Charge-Density Wave in NbSe2

László Forró, Helmuth Berger

2H-NbSe2 is a prototypical charge-density-wave (CDW) system, exhibiting such a symmetry-breaking quantum ground state in its bulk and down to a single-atomic-layer limit. However, how this state depends on dimensionality and what governs the dimensionality ...

AMER CHEMICAL SOC2022

Connecting Hodge and Sakaguchi-Kuramoto through a mathematical framework for coupled oscillators on simplicial complexes

Alexis Arnaudon

Phase synchronizations in models of coupled oscillators such as the Kuramoto model have been widely studied with pairwise couplings on arbitrary topologies, showing many unexpected dynamical behaviors. Here, based on a recent formulation the Kuramoto model ...

NATURE PORTFOLIO2022

Geometric Percolation of Spherically Symmetric Fractal Aggregates

Claudio Grimaldi

The connectedness percolation threshold (phi(c)) for spherically symmetric, randomly distributed fractal aggregates is investigated as a function of the fractal dimension (d(F)) of the aggregates through a mean-field approach. A pair of aggregates (each of ...

SPRINGER2022

Physics-based representations for machine learning properties of chemical reactions

Anne-Clémence Corminboeuf, Matthew Wodrich, Alberto Fabrizio, Puck Elisabeth van Gerwen

Physics-based representations constructed using only atomic positions and nuclear charges (also known as quantum machine learning, QML) allow for the reliable and efficient inference of molecular properties from training data. Chemistry is a science rooted ...

2022

A Ceramic-Electrolyte Glucose Fuel Cell for Implantable Electronics

Steven Alexandre Schenk

Next-generation implantable devices such as sensors, drug-delivery systems, and electroceuticals require efficient, reliable, and highly miniaturized power sources. Existing power sources such as the Li-I-2 pacemaker battery exhibit limited scale-down pote ...

Wiley2022

Hypermagnetogenesis from axion inflation: Model-independent estimates

Oleksandr Sobol

Axion inflation coupled to the Standard Model (SM) hypercharge gauge sector represents an attractive scenario for the generation of primordial hypemiagnetic fields. The description of this scenario is, however, complicated by the Schwinger effect, which gi ...

American Physical Society2022

Tunable wavelength-stabilized mode-locked thulium-doped fiber laser beyond 2000nm

Camille Sophie Brès, Moritz Bartnick, Gayathri Bharathan

We demonstrate operation of a tunable mode-locked thulium-doped fiber laser, based on a wavelength-selective chirped fiber Bragg grating (CFBG). By applying strain to the CFBG, we shift its reflection band and can thereby tune the emission-wavelength of th ...

SPIE-INT SOC OPTICAL ENGINEERING2022

Enantioselective Access to 3-Azabicyclo[3.1.0]hexanes by (CpRhIII)-Rh-x Catalyzed C-H Activation and Cp*Ir-III Transfer Hydrogenation

Ouidad Lahtigui, Nicolai Cramer, Coralie Danielle Annick Duchemin, Dan Forster

Rigid saturated nitrogen-containing scaffolds such as 3-azabicyclo[3.1.0]hexanes are very important and frequently occurring motifs in biologically active compounds. We disclose a flexible two-step protocol for their efficient and selective access. A tailo ...

AMER CHEMICAL SOC2022

Chemical physics software

Michele Ceriotti

AIP Publishing2021