Gas‐phase structure of polymer ions: Tying together theoretical approaches and ion mobility spectrometry

Q Duez, S Hoyas, T Josse, J Cornil… - Mass Spectrometry …, 2023 - Wiley Online Library
An increasing number of studies take advantage of ion mobility spectrometry (IMS) coupled
to mass spectrometry (IMS‐MS) to investigate the spatial structure of gaseous ions. Synthetic …

Ultrafast, Selective, and Highly Sensitive Nonchromatographic Analysis of Fourteen Cannabinoids in Cannabis Extracts, Δ8-Tetrahydrocannabinol Synthetic Mixtures …

S Huang, L Righetti, FW Claassen, A Krishna… - Analytical …, 2024 - ACS Publications
The diversity of cannabinoid isomers and complexity of Cannabis products pose significant
challenges for analytical methodologies. In this study, we developed a method to analyze 14 …

Polystyrene Chain Geometry Probed by Ion Mobility Mass Spectrometry and Molecular Dynamics Simulations

S Naskar, A Minoia, Q Duez, A Izuagbe… - Journal of the …, 2024 - ACS Publications
Polystyrene (PS) is a thermoplastic polymer commonly used in various applications due to
its bulk properties. Designing functional polystyrenes with well-defined structures for …

Characterization of steroids through collision cross sections: contribution of quantum chemistry calculations

J Graton, M Hernández-Mesa, S Normand… - Analytical …, 2020 - ACS Publications
A wide range of collision cross section (CCS) databases for different families of compounds
have recently been established from ion mobility mass spectrometry (IM-MS) measurements …

[HTML][HTML] Enhancing isomer specificity in mass spectrometry by combining silver ion adduction and ion mobility

VV Sharma, D De Chavez, SE Slade, I Lanekoff - Talanta Open, 2024 - Elsevier
Background Identification and characterization of steroids from complex mixtures with
isomeric precision is key to studying endocrine-related metabolism and disorders. Whereas …

Experimental and Theoretical Structure Elucidation of the [2 : 1] Complex Ion of Carbo[n]helicene with n=6, 7 and 8 and Ag+

J Oschwald, D Reger, S Frühwald… - …, 2023 - Wiley Online Library
Gas‐phase complexes of [n] helicenes with n= 6, 7 and 8 and the silver (I) cation are
generated utilizing electrospray ionization mass spectrometry (ESI‐MS). Besides the well …

Competition between the stabilizing effects of saturated alkyl substituents and pi bonds on complexes of silver ion (Ag+) with alkenes

GW Breton - Journal of Physical Organic Chemistry, 2022 - Wiley Online Library
The coordination of Ag+ ions to alkenes is of both theoretical and practical interest. While
much attention has been paid to how the nature of the C= C π bond affects the coordinative …

Tandem mass spectrometry of π‐expanded triphenylamine and N‐heterotriangulene scaffolds: Radical cation versus silver(I) adduct

M Kinzelmann, N Fröhlich, A Vogel… - Journal of Mass …, 2024 - Wiley Online Library
Triphenylamine (TPA) and N‐heterotriangulene (N‐HTA) scaffolds with up to three
oligophenyl extensions are investigated by electrospray ionization (tandem) mass …

Determination and gas‐phase stability evaluation of metal complexes by nanoelectrospray ionization and collision‐induced dissociation tandem mass spectrometry

X Li, K Sawada, H Shioji - Rapid Communications in Mass …, 2023 - Wiley Online Library
Rationale The structures of metal complexes determine their stable functioning in product
performance. Electrospray ionization mass spectrometry (ESI‐MS) is used in studying metal …

Silver cation tagged on 5, 7, 12, 14-tetraphenyl-6, 13-diazapentacene and its dihydro-form

M Kinzelmann, J Oschwald, H Elsen… - Physical Chemistry …, 2023 - pubs.rsc.org
The attachment of silver (I) cations to 5, 7, 12, 14-tetraphenyl-6, 13-diazapentacene and its
reduced dihydro-form has been studied by electrospray ionization mass spectrometry (ESI …