Publications related to Water-Exchange Study Revealed Unexpected Substitution Behavior of [(CO)2(NO)Re(H2O)3]2+ in Aqueous Media

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

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

Solution-based Cu+ transient species mediate the reconstruction of copper electrocatalysts for CO2 reduction

Raffaella Buonsanti, Anna Loiudice, Jan Vávra, Petru Pasquale Albertini, Gaétan Philippe Louis Ramona

Understanding metal surface reconstruction is of the utmost importance in electrocatalysis, as this phenomenon directly affects the nature of available active sites. However, its dynamic nature renders surface reconstruction notoriously difficult to study. ...

Nature Portfolio2024

Stabilization versus competing de-metalation, trans-metalation and (cyclo)-dehydrogenation of Pd porphyrins at a copper surface

Metal-porphyrins are studied intensively due their potential applications, deriving from the variety of electronic and chemical properties, tunable by selecting metal centers and functional groups. Metalation, de- and trans-metalation processes are fundame ...

Royal Soc Chemistry2024

Palladium-based supramolecular assemblies: from complex structures to water-soluble anion-receptors

Sylvain Alexandre Marie Sudan

The combination of palladium salts and bipyridyl ligands can lead to the formation of a large variety of coordination complexes, with different shapes and sizes, displaying a very versatile host-guest chemistry. Increasing their structural complexity remai ...

EPFL2024

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

Andrei Zviagin

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 ...

EPFL2023

Multistage Ion Mobility Spectrometry Combined with Infrared Spectroscopy for Glycan Analysis

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Priyanka Bansal

The structural complexity of glycans makes their characterization challenging, not only because of the presence of various isomeric forms of the precursor molecule but also because the fragments can themselves be isomeric. We have recently developed an IMS ...

2023

Combining ion mobility spectrometry and cryogenic ion spectroscopy with enzymatic digestion/synthesis for the study of N-linked glycans

Irina Märki

Glycans play an essential role in numerous physiological and pathological processes of living organisms. Despite their significant biological relevance, glycobiology remains one of the least explored fields of biochemistry. The intrinsic isomeric complexit ...

EPFL2023

Interfacial Inversion, Interference, and IR Absorption in Vibrational Sum Frequency Scattering Experiments

Sylvie Roke, Saranya Pullanchery Sankara Narayanan, Lei Zhang, Sergey Kulik

Molecular interfacial structure greatly determines thepropertiesof nano- and microscale systems. Vibrational sum frequency scattering(SFS) spectroscopy is a unique interface-selective tool to measurethe interfacial vibrational spectrum of sub-micron to mic ...

AMER CHEMICAL SOC2023

Multitarget-Directed Gallium(III) Tris(acyl-pyrazolonate) Complexes Induce Ferroptosis in Cancer Cells via Dysregulation of Cell Redox Homeostasis and Inhibition of the Mevalonate Pathway

Farzaneh Fadaei Tirani

A series of Ga(Q(n))(3) coordination compounds have been synthesized, where HQ(n) is 1-phenyl-3-methyl-4-RC(=O)-pyrazolo-5-one. The complexes have been characterized through analytical data, NMR and IR spectroscopy, ESI mass spectrometry, elemental analysi ...

AMER CHEMICAL SOC2023

Quantum state-resolved methane scattering from Ni(111) and NiO(111) by bolometer infrared laser tagging: The effect of surface oxidation

Rainer Beck, Bo-Jung Chen, Patrick Floss, Christopher Scott Reilly

We describe a novel UHV state-to-state molecule/surface scattering apparatus with quan- tum state preparation of the incident molecular beam and angle-resolved quantum state detection of the scattered molecules. State resolved detection is accomplished usi ...

2023

Wigner Gaussian dynamics: Simulating the anharmonic and quantum ionic motion

Lorenzo Monacelli

The atomic motion controls important properties of materials, such as thermal transport, phase transitions, and vibrational spectra. However, simulating the ionic dynamics is exceptionally challenging when quantum fluctuations are relevant (e.g., at low te ...

AMER PHYSICAL SOC2023

Probing Water Dissociation and Oxygen Replacement on Partially Oxygen-Covered Cu(111) by Reflection Absorption Infrared Spectroscopy

Rainer Beck, Harmina Vejayan, Mateusz Suchodol

The presence of chemisorbed oxygen on the Cu(111) surface is known to strongly reduce the activation barrier for water dissociation as compared to bare Cu(111). Here, we present direct experimental evidence for the hydrogen abstraction mechanism responsibl ...

2023

Influence of aerosol acidity and organic ligands on transition metal solubility and oxidative potential of fine particulate matter in urban environments

Gerhard Lammel, Athanasios Nenes

The adverse health effects of air pollution around the world have been associated with the inhalation of fine particulate matter (PM2.5). Such outcomes are thought to be related to the induction of oxidative stress due to the excess formation of reactive o ...

Elsevier2023

Near-infrared emission line diagnostics for AGN from the local Universe to z ∼ 3

Michaela Hirschmann

Optical rest-frame spectroscopic diagnostics are usually employed to distinguish between star formation and active galactic nucleus (AGN) powered emission. However, this method is biased against dusty sources, hampering a complete census of the AGN populat ...

Edp Sciences S A2023

Full Solution Process of a Near-Infrared Light-Emitting Electrochemical Cell Based on Novel Emissive Ruthenium Complexes of 1,10-Phenanthroline-Derived Ligands and a Eutectic Alloy as the Top Electrode

Mohammad Khaja Nazeeruddin

Near-infrared luminescent materials have recently received considerable attention for a large number of applications, including in solid-state lighting, as bioimaging agents, as photovoltaic cells, and in the telecommunication industry. By adding diverse e ...

AMER CHEMICAL SOC2023

New insights into rodent brain microstructure and metabolism in hepatic encephalopathy

Jessie Julie Mosso

Type C hepatic encephalopathy (HE) is a severe neuropsychiatric complication of chronic liver disease, for which the prognosis is poor in the absence of liver transplantation. Cirrhosis in type C HE leads to a toxic accumulation of ammonia in the blood, wh ...

EPFL2023

Making Molecules Vibrate: Interactive Web Environment for the Teaching of Infrared Spectroscopy

Luc Patiny, Berend Smit, Kevin Maik Jablonka

Infrared spectroscopy (IR) is a staple structural elucidation and characterization technique because of its ability to identify functional groups and its ease of use. Interestingly, it allows the capture of electronic effects via their influence on the bon ...

AMER CHEMICAL SOC2022

In Situ Infrared Spectroscopy of NOx Reduction Catalysts: A Laboratory Exercise for In-Person and Virtual Learning

Oliver Kröcher, Davide Ferri, Rob Jeremiah G. Nuguid

Infrared (IR) spectroscopy and catalysis represent two of the most practically relevant topics in chemistry, but they are normally taught in separate contexts at the undergraduate level. Although IR spectroscopy is introduced to students as a tool for orga ...

AMER CHEMICAL SOC2022

Structures of the (Imidazole)(n)H+ ... Ar (n=1,2,3) complexes determined from IR spectroscopy and quantum chemical calculations

Valeriu Scutelnic

Here, we present new cryogenic infrared spectra of the (Imidazole) H-n(+) (n=1,2,3) ions. The data was obtained using helium tagging infrared predissociation spectroscopy. The new results were compared with the data obtained by Gerardi et al. (Chem. Phys. ...

SPRINGER/PLENUM PUBLISHERS2023

Stabilizing Unusual Oxidation States of Lanthanides in Molecular Complexes: Synthesis, Properties, and Reactivity

Aurélien René Willauer

The chemistry of divalent lanthanides has generated increasing interest in the past years due to their redox properties and unique reaction pathways. Notably, molecular complexes of low-valent lanthanides have been shown to be suitable one-electron reducta ...

EPFL2022