Publications related to Spectroscopic studies of kinetically trapped conformations in the gas phase: the case of triply protonated bradykinin

Related publications (39)

Spectroscopy of two-dimensional interacting lattice electrons using symmetry-aware neural backflow transformations

Giuseppe Carleo, Jannes Willy E. Nys, Imelda Romero

Neural networks have shown to be a powerful tool to represent the ground state of quantum many-body systems, including fermionic systems. However, efficiently integrating lattice symmetries into neural representations remains a significant challenge. In th ...

NATURE PORTFOLIO2025

A phase transition in diffusion models reveals the hierarchical nature of data

Matthieu Wyart, Alessandro Favero, Antonio Sclocchi

Understanding the structure of real data is paramount in advancing modern deep-learning methodologies. Natural data such as images are believed to be composed of features organized in a hierarchical and combinatorial manner, which neural networks capture d ...

National Academy of Sciences2025

Topological Effects in Wave Scattering and Metamaterials

Haoye Qin

Advanced wave engineering demands robust, efficient, and new-degree-of-freedom manipulations in wave intrinsic properties like amplitude, phase, polarization, and even spatial structure. To tackle this, this thesis advances photonic wave manipulation by sy ...

EPFL2025

Search for heavy long-lived charged particles with large ionization energy loss in proton-proton collisions at s = 13 TeV

Jan Steggemann, Konstantin Androsov, Anna Mascellani, Joanna Malgorzata Wanczyk, Paul Théodore Gabriel Pablo De Bryas Dexmiers d'Archiac

A search for heavy, long-lived, charged particles with large ionization energy loss within the silicon tracker of the CMS experiment is presented. A data set of proton-proton collisions at a center of mass energy at s = 13 TeV, collected in 2017 and 2018 a ...

Springer2025

Formation mechanism and microstructural characteristics of a body-centered cubic phase in 3D printed 316L–CuCrZr multi-material structures, combining laser powder bed fusion with foils

Roland Logé, Cyril Cayron, Jamasp Jhabvala, Seyed Amirmohammad Jamili

Additive manufacturing of 316L/CuCrZr multi-material metallic structures has recently attracted significant attention, due to the ideal combination of structural and thermal/electrical properties. In this work, a unique multi-phase microstructure was produ ...

2025

Ion Spectroscopy Reveals Structural Difference for Proteins Microhydrated by Retention and Condensation of Water

Oleg Boyarkine, Andrei Zviagin

Protein ubiquitin in its +7 charge state microhydrated by 5 and 10 water molecules has been interrogated in the gas phase by cold ion UV/IR spectroscopy. The complexes were formed either by condensing water onto the unfolded bare proteins in a temperature- ...

Amer Chemical Soc2024

Controlled Formation of Nanoribbons and Their Heterostructures via Assembly of Mass-Selected Inorganic Ions

Klaus Kern

Control of nanomaterial dimensions with atomic precision through synthetic methods is essential to understanding and engineering of nanomaterials. For single-layer inorganic materials, size and shape controls have been achieved by self-assembly and surface ...

Wiley-V C H Verlag Gmbh2024

Magnetism of Single Surface Adsorbed Atoms Studied with Radio-Frequency STM

Clément Marie Soulard

This thesis investigates the magnetic properties of single atoms and molecules adsorbed on thin magnesium oxide decoupling layers, grown on a silver single crystal. To address these systems experimentally, we use a low temperature scanning tunneling micros ...

EPFL2024

Beyond Gaussian fluctuations of quantum anharmonic nuclei: The case of rotational degrees of freedom

Lorenzo Monacelli

The atomic motion in molecular crystals, such as high-pressure hydrogen or hybrid organic-inorganic perovskites, is very complex due to quantum anharmonic effects. In addition, these materials accommodate rotational degrees of freedom. All the approximate ...

2024

Applications of the thawed Gaussian approximation to electronic spectroscopy

Eriks Kletnieks

The exploration of electronically excited states and the study of diverse photochemical and photophysical processes are the main goals of molecular electronic spectroscopy. Exact quantum-mechanical simulation of such experiments is, however, beyond current ...

EPFL2024

Mixed ionic-electronic conduction in Ruddlesden-Popper and Dion-Jacobson layered hybrid perovskites with aromatic organic spacers

Michael Graetzel, Jovana Milic, Joachim Maier, Algirdas Ducinskas

The understanding of mixed ionic-electronic conductivity in hybrid perovskites has enabled major advances in the development of optoelectronic devices based on this class of materials. While recent investigations revealed the potential of using dimensional ...

Royal Society of Chemistry2024

Vapor compression and energy dissipation in a collapsing laser-induced bubble

Mohamed Farhat, Danail Obreschkow, Davide Bernardo Preso, Armand Baptiste Sieber

The composition of the gaseous phase of cavitation bubbles and its role on the collapse remains to date poorly understood. In this work, experiments of single cavitation bubbles in aqueous ammonia serve as a novel approach to investigate the effect of the ...

Aip Publishing2024

Ru(II)-Arene Complexes of Curcumin and Bisdesmethoxycurcumin Metabolites

Paul Joseph Dyson, Farzaneh Fadaei Tirani, Mouna Hadiji

Curcuminoids and their complexes continue to attract attention in medicinal chemistry, but little attention has been given to their metabolic derivatives. Here, the first examples of (arene)Ru(II) complexes with curcuminoid metabolites, tetrahydrocurcumin ...

Amer Chemical Soc2024

Adding Color to Mass Spectra of Biopolymers: Charge Determination Analysis (CHARDA) Assigns Charge State to Every Ion Peak

Yury Tsybin, Natalia Gasilova, Laure Menin, Anton Kozhinov, Konstantin Nagornov

Traditionally, mass spectrometry (MS) output is the ion abundance plotted versus the ionic mass-to-charge ratio m/z. While employing only commercially available equipment, Charge Determination Analysis (CHARDA) adds a third dimension to MS, estimating for ...

Amer Chemical Soc2024

Alignment of ND3 molecules in dc-electric fields

Andreas Osterwalder, Junwen Zou, Viet Le Duc

The control of movement and orientation of gas-phase molecules has become the focus of many research areas in molecular physics. Here, ND3 molecules are polarized in a segmented, curved electrostatic guide and adiabatically aligned inside a rotatable mass ...

Aip Publishing2024

Microbial hydrogen sinks in the sand-bentonite backfill material for the deep geological disposal of radioactive waste

Rizlan Bernier-Latmani, Manon Frutschi, Nicolas Louis Maurice Jacquemin, Simiao Wang, Niels Burzan, Aislinn Ann Boylan, Camille Aude Rolland

The activity of subsurface microorganisms can be harnessed for engineering projects. For instance, the Swiss radioactive waste repository design can take advantage of indigenous microorganisms to tackle the issue of a hydrogen gas (H2) phase pressure build ...

Frontiers Media SA2024

Nanostructure and Optical Property Tailoring of Zinc Tin Nitride Thin Films through Phenomenological Decoupling: A Pathway to Enhanced Control

Aïcha Hessler-Wyser, Johann Michler, Caroline Hain, Daniele Casari

This work addresses the need for precise control of thin film sputtering processes to enable thin film material tailoring on the example of zinc tin nitride (ZTN) thin films deposited via microwave plasma-assisted high power reactive magnetron sputtering ( ...

Amer Chemical Soc2024

Nanocavities for Molecular Optomechanics: Their Fundamental Description and Applications

Christophe Marcel Georges Galland

Vibrational Raman scattering-a process where light exchanges energy with a molecular vibration through inelastic scattering-is most fundamentally described in a quantum framework where both light and vibration are quantized. When the Raman scatterer is emb ...

AMER CHEMICAL SOC2024

Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act

Tomasz Poreba

A pressure-induced triclinic-to-monoclinic phase transition has been caught 'in the act' over a wider series of high-pressure synchrotron diffraction experiments conducted on a large, photoluminescent organo-gold(I) compound. Here, we describe the mechanis ...

2024

From Sequence to Dynamics to Function: Computational Design of Allostery and Ligand Selectivity in G-Protein Coupled Receptors

Mahdi Hijazi

The phenomenon of allostery, a general property in proteins that has been heralded as "the second secret of life" remains elusive to our understanding and even more challenging to incorporate into protein design. One example of allosteric proteins with gre ...

EPFL2024