ArticleThe journal of physical chemistry letters2017
Structural Elucidation of cis/trans Dicaffeoylquinic Acid Photoisomerization Using Ion Mobility Spectrometry-Mass Spectrometry.
Article in The journal of physical chemistry letters, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed.
- Characterization of Grape Cane Stilbenoids and Their Photo-Degradation Products by HPLC-DAD Coupled With Trapped Ion Mobility Spectrometry and High-Resolution Tandem Mass Spectrometry.Rapid communications in mass spectrometry : RCM · 2026Article
- Facile Detection of Light-Controlled Radical Scavengers from Natural Products Using In Situ UV-LED NMR Spectroscopy.Antioxidants (Basel, Switzerland) · 2022Article
- An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts.Journal of cheminformatics · 2022Article
- Analysis of Chlorogenic Acid in Sweet Potato Leaf Extracts.Plants (Basel, Switzerland) · 2022Article
- A Collision Cross Section Database for Extractables and Leachables from Food Contact Materials.Journal of agricultural and food chemistry · 2022Article
- Exploring the Impacts of Conformer Selection Methods on Ion Mobility Collision Cross Section Predictions.Analytical chemistry · 2021Article
- Profiling of Chlorogenic Acids fromMetabolites · 2020Article
- Evaluation ofJournal of chemical information and modeling · 2019Article
- Ion Mobility Spectrometry and the Omics: Distinguishing Isomers, Molecular Classes and Contaminant Ions in Complex Samples.Trends in analytical chemistry : TRAC · 2019Article
- ISiCLE: A Quantum Chemistry Pipeline for Establishing in Silico Collision Cross Section Libraries.Analytical chemistry · 2019Article
- New mass spectrometry technologies contributing towards comprehensive and high throughput omics analyses of single cells.The Analyst · 2019Review
- Utilizing ion mobility spectrometry and mass spectrometry for the analysis of polycyclic aromatic hydrocarbons, polychlorinated biphenyls, polybrominated diphenyl ethers and their metabolites.Analytica chimica acta · 2018Article
- An automated framework for NMR chemical shift calculations of small organic molecules.Journal of cheminformatics · 2018Article
- Evaluating lipid mediator structural complexity using ion mobility spectrometry combined with mass spectrometry.Bioanalysis · 2018Article
- Revising Reverse-Phase Chromatographic Behavior for Efficient Differentiation of Both Positional and Geometrical Isomers of Dicaffeoylquinic Acids.Journal of analytical methods in chemistry · 2018Article
- The evolution of lipidomics through space and time.Biochimica et biophysica acta. Molecular and cell biology of lipids · 2017Review
- Distinguishing d- and l-aspartic and isoaspartic acids in amyloid β peptides with ultrahigh resolution ion mobility spectrometry.Chemical communications (Cambridge, England) · 2017Article
- Serpentine Ultralong Path with Extended Routing (SUPER) High Resolution Traveling Wave Ion Mobility-MS using Structures for Lossless Ion Manipulations.Analytical chemistry · 2017Article
Corrections and comments
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Authors and funding
14 authors.
Funding
Abstract
Due to the recently uncovered health benefits and anti-HIV activities of dicaffeoylquinic acids (diCQAs), understanding their structures and functions is of great interest for drug discovery efforts. DiCQAs are analytically challenging to identify and quantify since they commonly exist as a diverse mixture of positional and geometric (cis/trans) isomers. In this work, we utilized ion mobility spectrometry coupled with mass spectrometry to separate the various isomers before and after UV irradiation. The experimental collision cross sections were then compared with theoretical structures to differentiate and identify the diCQA isomers. Our analyses found that naturally the diCQAs existed predominantly as trans/trans isomers, but after 3 h of UV irradiation, cis/cis, cis/trans, trans/cis, and trans/trans isomers were all present in the mixture. This is the first report of successful differentiation of cis/trans diCQA isomers individually, which shows the great promise of IMS coupled with theoretical calculations for determining the structure and activity relationships of different isomers in drug discovery studies.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.