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      Comparison of Experimental and Calculated Ion Mobilities of Small Molecules in Air

      research-article
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      Journal of Analytical Methods in Chemistry
      Hindawi Publishing Corporation

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          Abstract

          Ion mobility spectrometry is a well-known technique for analyzing gases. Examples are military applications, but also safety related applications, for example, for protection of employees in industries working with hazardous gases. In the last 15 years, this technique has been further developed as a tool for structural analysis, for example, in pharmaceutical applications. In particular, the collision cross section, which is related to the mobility, is of interest here. With help of theoretic principles, it is possible to develop molecular models that can be verified by the comparison of their calculated cross sections with experimental data. In this paper, it is analyzed how well the ion trajectory method is suitable to reproduce the measured ion mobility of small organic molecules such as the water clusters forming the positively charged reactant ions, simple aromatic substances, and n-alkanes.

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          Most cited references24

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          The power of ion mobility-mass spectrometry for structural characterization and the study of conformational dynamics.

          Mass spectrometry is a vital tool for molecular characterization, and the allied technique of ion mobility is enhancing many areas of (bio)chemical analysis. Strong synergy arises between these two techniques because of their ability to ascertain complementary information about gas-phase ions. Ion mobility separates ions (from small molecules up to megadalton protein complexes) based on their differential mobility through a buffer gas. Ion mobility-mass spectrometry (IM-MS) can thus act as a tool to separate complex mixtures, to resolve ions that may be indistinguishable by mass spectrometry alone, or to determine structural information (for example rotationally averaged cross-sectional area), complementary to more traditional structural approaches. Finally, IM-MS can be used to gain insights into the conformational dynamics of a system, offering a unique means of characterizing flexibility and folding mechanisms. This Review critically describes how IM-MS has been used to enhance various areas of chemical and biophysical analysis.
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            Structural Information from Ion Mobility Measurements:  Effects of the Long-Range Potential

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              An exact hard-spheres scattering model for the mobilities of polyatomic ions

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                Author and article information

                Journal
                J Anal Methods Chem
                J Anal Methods Chem
                JAMC
                Journal of Analytical Methods in Chemistry
                Hindawi Publishing Corporation
                2090-8865
                2090-8873
                2016
                19 May 2016
                : 2016
                : 6246415
                Affiliations
                Information Engineering and Technology Faculty, German University in Cairo, El Tagamoa El Khames, Cairo, Egypt
                Author notes

                Academic Editor: Bradley B. Schneider

                Author information
                http://orcid.org/0000-0002-4310-4948
                Article
                10.1155/2016/6246415
                4889856
                27298751
                895fb2d8-7953-4ca8-8466-a40bf647d5f0
                Copyright © 2016 Frank Gunzer.

                This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

                History
                : 17 March 2016
                : 5 May 2016
                Categories
                Research Article

                Analytical chemistry
                Analytical chemistry

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