What question did this study set out to answer?

The research investigates the relationship between thermodynamic factors and collision cross sections to enhance the separation of nitroaromatic isomers in ion mobility spectrometry.

February 2, 2026Analytical Chemistry

Correlation between Thermodynamics and Collision Cross Sections in Ion–Modifier Clustering: Experimental and Theoretical Insights into Nitroaromatic Isomer Separation by Corona Discharge Drift Tube Ion Mobility Spectrometry

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Authors

MHMohammad Hariri MJMajid Jafari HFHossein Farrokhpour

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Overview

Evaluates ion separation in nitroaromatic isomers using modifiers in ion mobility spectrometry, indicating improved resolution strategies.

Key Points

The research investigates the relationship between thermodynamic factors and collision cross sections to enhance the separation of nitroaromatic isomers in ion mobility spectrometry.
Evaluated alcohol-based and acetonitrile modifiers for resolution of nitroaromatic isomers.
Analyzed clustering behavior of analyte-modifier in negative mode of drift tube ion mobility spectrometry.
Conducted Gibbs free energy calculations to assess thermodynamic stability of clusters.
Compared theoretical and experimental collision cross section values with observed separation trends.
Enhanced resolution of overlapping peaks for nitroaromatic isomers was achieved using specific modifiers.
Strong agreement was observed between theoretical predictions and experimental separation results.
Optimal number of modifier molecules required for effective isomer resolution was established.

Cite This Study

Hariri et al. (2026) studied this question.

synapsesocial.com/papers/6980ff08c1c9540dea811b4c https://doi.org/10.1021/acs.analchem.5c06106

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February 2, 2026Analytical Chemistry

Correlation between Thermodynamics and Collision Cross Sections in Ion–Modifier Clustering: Experimental and Theoretical Insights into Nitroaromatic Isomer Separation by Corona Discharge Drift Tube Ion Mobility Spectrometry

View Full Paper

Ask AI

Bookmark

Authors

MHMohammad Hariri MJMajid Jafari HFHossein Farrokhpour

Discussion

Member takes

Overview

Evaluates ion separation in nitroaromatic isomers using modifiers in ion mobility spectrometry, indicating improved resolution strategies.

Key Points

The research investigates the relationship between thermodynamic factors and collision cross sections to enhance the separation of nitroaromatic isomers in ion mobility spectrometry.
Evaluated alcohol-based and acetonitrile modifiers for resolution of nitroaromatic isomers.
Analyzed clustering behavior of analyte-modifier in negative mode of drift tube ion mobility spectrometry.
Conducted Gibbs free energy calculations to assess thermodynamic stability of clusters.
Compared theoretical and experimental collision cross section values with observed separation trends.
Enhanced resolution of overlapping peaks for nitroaromatic isomers was achieved using specific modifiers.
Strong agreement was observed between theoretical predictions and experimental separation results.
Optimal number of modifier molecules required for effective isomer resolution was established.

Cite This Study

Hariri et al. (2026) studied this question.

synapsesocial.com/papers/6980ff08c1c9540dea811b4c https://doi.org/10.1021/acs.analchem.5c06106

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