Quantum chemical investigations on molecular clusters

SR Gadre, SD Yeole, N Sahu - Chemical reviews, 2014 - ACS Publications
A cluster is an aggregate of bound atoms or molecules, intermediate in size between a
molecule and a bulk solid. Clusters of a variety of molecules are receiving increasing …

Infrared multiple photon dissociation spectroscopy of ions in Penning traps

JR Eyler - Mass spectrometry reviews, 2009 - Wiley Online Library
The ability of Paul and Penning traps to contain ions for time periods ranging from
milliseconds to minutes allows the trapped ions to be subjected to laser irradiation for …

Infrared consequence spectroscopy of gaseous protonated and metal ion cationized complexes

TD Fridgen - Mass spectrometry reviews, 2009 - Wiley Online Library
In this article, the new and exciting techniques of infrared consequence spectroscopy
(sometimes called action spectroscopy) of gaseous ions are reviewed. These techniques …

Investigation of charge-state-dependent compaction of protein ions with native ion mobility–mass spectrometry and theory

AD Rolland, LS Biberic, JS Prell - Journal of the American Society …, 2022 - ACS Publications
The precise relationship between native gas-phase protein ion structure, charge,
desolvation, and activation remains elusive. Much evidence supports the Charge Residue …

Understanding hypervelocity sampling of biosignatures in space missions

A Jaramillo-Botero, ML Cable, AE Hofmann… - Astrobiology, 2021 - liebertpub.com
The atomic-scale fragmentation processes involved in molecules undergoing hypervelocity
impacts (HVIs; defined as> 3 km/s) are challenging to investigate via experiments and still …

Free carboxylate stretching modes

J Oomens, JD Steill - The Journal of Physical Chemistry A, 2008 - ACS Publications
We report the first IR spectroscopic observation of carboxylate stretching modes in free
space, ie, in the complete absence of solvent or counterions. Gas-phase spectra of a series …

Ab initio quantum chemistry for protein structures

HJ Kulik, N Luehr, IS Ufimtsev… - The Journal of Physical …, 2012 - ACS Publications
Structural properties of over 55 small proteins have been determined using both density-
based and wave-function-based electronic structure methods in order to assess the ability of …

Probing the conformational landscape and thermochemistry of DNA dinucleotide anions via helium nanodroplet infrared action spectroscopy

DA Thomas, R Chang, E Mucha, M Lettow… - Physical Chemistry …, 2020 - pubs.rsc.org
Isolation of biomolecules in vacuum facilitates characterization of the intramolecular
interactions that determine three-dimensional structure, but experimental quantification of …

[HTML][HTML] IRPD spectroscopy and ensemble measurements: effects of different data acquisition and analysis methods

JS Prell, JT O'Brien, ER Williams - Journal of the American Society for Mass …, 2010 - Elsevier
Three different commonly used infrared photodissociation (IRPD) spectroscopy acquisition
and analysis methods are described, and results from these methods are compared using …

Using differential mobility spectrometry to measure ion solvation: an examination of the roles of solvents and ionic structures in separating quinoline-based drugs

C Liu, JCY Le Blanc, J Shields, JS Janiszewski… - Analyst, 2015 - pubs.rsc.org
Understanding the mechanisms and energetics of ion solvation is critical in many scientific
areas. Here, we present a methodlogy for studying ion solvation using differential mobility …