Assessing Collision Cross Section Calibration Strategies for Traveling Wave-Based Ion Mobility Separations in Structures for Lossless Ion Manipulations.
Sign Up to like & getrecommendations! Published in 2020 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.0c02829
Abstract: The collision cross section (CCS) is an important property that aids in the structural characterization of molecules. Here, we investigated the CCS calibration accuracy with traveling wave ion mobility spectrometry (TWIMS) separations in structures for… read more here.
Keywords: collision cross; ion mobility; ion; calibration ... See more keywords
Separation and Collision Cross Section Measurements of Protein Complexes Afforded by a Modular Drift Tube Coupled to an Orbitrap Mass Spectrometer.
Sign Up to like & getrecommendations! Published in 2022 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.2c01653
Abstract: New developments in analytical technologies and biophysical methods have advanced the characterization of increasingly complex biomolecular assemblies using native mass spectrometry (MS). Ion mobility methods, in particular, have enabled a new dimension of structural information… read more here.
Keywords: drift tube; separation; collision cross; mass ... See more keywords
Advancing Orbitrap Measurements of Collision Cross Sections to Multiple Species for Broad Applications.
Sign Up to like & getrecommendations! Published in 2022 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.2c02146
Abstract: Measurement of collision cross section (CCS), a parameter reflecting an ion's size and shape, alongside high-resolution mass analysis extends the depth of molecular analysis by providing structural information beyond molecular mass alone. Although these measurements… read more here.
Keywords: collision cross; mass; advancing orbitrap;
Combining Glucose Units, m/z and Collision Cross Section values: Multi-attribute data for increased accuracy in automated glycosphingolipid glycan identifications and its application in Triple Negative Breast Cancer.
Sign Up to like & getrecommendations! Published in 2019 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.9b01476
Abstract: Glycan head-groups attached to glycosphingolipids (GSLs) found in the cell membrane bilayer can alter in response to external stimuli and disease, making them potential markers and/or targets for cellular disease states. To identify such markers,… read more here.
Keywords: negative breast; collision cross; accuracy automated; accuracy ... See more keywords
Prediction of Collision Cross Section Values: Application to Non-Intentionally Added Substance Identification in Food Contact Materials
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Agricultural and Food Chemistry"
DOI: 10.1021/acs.jafc.1c06989
Abstract: The synthetic chemicals in food contact materials can migrate into food and endanger human health. In this study, the traveling wave collision cross section in nitrogen values of more than 400 chemicals in food contact… read more here.
Keywords: contact materials; cross section; collision cross; food ... See more keywords
In Silico Collision Cross Section Calculations to Aid Metabolite Annotation.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Society for Mass Spectrometry"
DOI: 10.1021/jasms.1c00315
Abstract: The interpretation of ion mobility coupled to mass spectrometry (IM-MS) data to predict unknown structures is challenging and depends on accurate theoretical estimates of the molecular ion collision cross section (CCS) against a buffer gas… read more here.
Keywords: ccs; collision cross; cross section;
Effect of Traveling Waveform Profiles on Collision Cross Section Measurements in Structures for Lossless Ion Manipulations.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Society for Mass Spectrometry"
DOI: 10.1021/jasms.1c00364
Abstract: We evaluated the effect of four different waveform profiles (Square, Sine, Triangle, and asymmetric Sawtooth) on the accuracy of collision cross section (CCS) measurements using traveling wave ion mobility spectrometry (TWIMS) separations in structures for… read more here.
Keywords: structures lossless; cross section; waveform profiles; waveform ... See more keywords
Ion Mobility and Fourier Transform Ion Cyclotron Resonance Collision Cross Section Techniques Yield Long-Range and Hard-Sphere Results, Respectively.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Society for Mass Spectrometry"
DOI: 10.1021/jasms.2c00112
Abstract: We determined collision cross section (CCS) values for singly and doubly charged cucurbit[n]uril (n = 5-7), decamethylcucurbit[5]uril, and cyclohexanocucurbit[5]uril complexes of alkali metal cations (Li+-Cs+). These hosts are relatively rigid. CCS values calculated using the… read more here.
Keywords: cross section; ccs values; collision; collision cross ... See more keywords
Set of the Electron Collision Cross Sections for Methane Molecule
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DOI: 10.1109/tps.2018.2885610
Abstract: This paper represents a contribution toward finding a complete set of electron collision cross sections for the methane molecule by revising all of the collision cross sections and adding the partial collision cross sections data… read more here.
Keywords: electron collision; collision cross; cross sections; set electron ... See more keywords
Collision Cross Section Prediction Based on Machine Learning
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DOI: 10.3390/molecules28104050
Abstract: Ion mobility-mass spectrometry (IM-MS) is a powerful separation technique providing an additional dimension of separation to support the enhanced separation and characterization of complex components from the tissue metabolome and medicinal herbs. The integration of… read more here.
Keywords: cross section; machine learning; prediction based; prediction ... See more keywords