Threshold collision induced dissociation of protonated water clusters.

J Chem Phys

Laboratoire de Chimie et Physique Quantiques LCPQ/FERMI, Université Toulouse III - Paul Sabatier, CNRS, 118 Route de Narbonne, F-31062 Toulouse, France.

Published: November 2023

We report threshold collision induced dissociation experiments on protonated water clusters thermalized at low temperature for sizes n = 19-23. Fragmentation cross sections are recorded as a function of the collision energy and analyzed with a statistical model. This model allows us to account for dissociation cascades and provides values for the dissociation energies of each cluster. These values, averaging around 0.47 eV, are in good agreement with theoretical predictions at various levels of theory. Furthermore, the dissociation energies show a trend for the n = 21 magic and n = 22 anti-magic numbers relative to their neighbours, which is also in agreement with theory. These results provide further evidence to resolve the disagreement between previously published experimental values. A careful quantitative treatment of cascade dissociation in this model introduces interdependence between the dissociation energies of neighboring sizes, which reduces the number of free fitting parameters and improves both reliability and uncertainties on absolute dissociation energies deduced from experiments.

Download full-text PDF

Source
http://dx.doi.org/10.1063/5.0167551DOI Listing

Publication Analysis

Top Keywords

dissociation energies
16
threshold collision
8
collision induced
8
dissociation
8
induced dissociation
8
protonated water
8
water clusters
8
dissociation protonated
4
clusters report
4
report threshold
4

Similar Publications

Native Mass Spectrometry (nMS) is a versatile technique for elucidating protein structure. Surface-Induced Dissociation (SID) is an activation method in tandem MS predominantly employed for determining protein complex stoichiometry alongside information about interface strengths. SID-nMS data can be collected over a range of acceleration energies, yielding Energy Resolved Mass Spectrometry (ERMS) data.

View Article and Find Full Text PDF

Protocol for real-time assessment of energy metabolism in dissociated mouse retinal photoreceptors using a SeahorseXFe24 analyzer.

STAR Protoc

January 2025

Department of Ophthalmology and Ross Eye Institute, Jacobs School of Medicine and Biomedical Sciences, University at Buffalo, State University of New York, Buffalo, NY, USA. Electronic address:

Defects in retinal metabolism have been linked to the onset and progression of various retinal diseases. Herein, we provide a protocol for measuring bioenergetics in dissociated mouse retinal photoreceptors. We outline detailed instructions for obtaining morphologically intact and viable photoreceptor cells from adult mice and preparing the cells for metabolic analysis using a SeahorseXFe24 analyzer.

View Article and Find Full Text PDF

Suppression of Collision-Induced Dissociation in a Supersonically Expanding Gas.

Anal Chem

January 2025

Department of Physics & CAMOST, IISER Tirupati, Tirupati 517619, Andhra Pradesh, India.

In high-resolution mass spectrometry, an electrospray ionization source is often paired with an ion-funnel to enhance ion transmission. Although it is established that ions experience collision-induced dissociation as they pass through this device, the impact of gas-flow dynamics on ion fragmentation remains unexplored. The present work demonstrates that the gas-flow dynamics from the capillary interface of an electrospray ionization source into an ion-funnel significantly reduces ion fragmentation.

View Article and Find Full Text PDF

Enhancing CO Adsorption on MgO: Insights into Dopant Selection and Mechanistic Pathways.

Biomimetics (Basel)

December 2024

Entropic Interface Group, Engineering Product Development, Singapore University of Technology and Design, 8 Somapah Road, Singapore 487372, Singapore.

Inspired by our recent success in designing CO-phobic and CO-philic domains on nano-MgO for effective CO adsorption, our ongoing efforts focus on incorporating dopants into pristine MgO to further enhance its CO adsorption capabilities. However, a clear set of guidelines for dopant selection and a holistic understanding of the underlying mechanisms is still lacking. In our investigation, we combined first-principles calculations with experimental approaches to explore the crystal and electronic structural changes in MgO doped with high-valence elements (Al, C, Si, and Ti) and their interactions with CO.

View Article and Find Full Text PDF

The assembly of proteins in membranes plays a key role in many crucial cellular pathways. Despite their importance, characterizing transmembrane assembly remains challenging for experiments and simulations. Equilibrium molecular dynamics simulations do not cover the time scales required to sample the typical transmembrane assembly.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!