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Mass Spectrom Rev. 2014 Mar 26. doi: 10.1002/mas.21423. [Epub ahead of print]

Numerical modeling of capillary electrophoresis - electrospray mass spectrometry interface design.

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  • 1CEITEC-Central European Institute of Technology, Brno, Czech Republic; MTA-PE Translational Glycomics Research Group, MUKKI, University of Pannonia, Veszprem, Hungary.


Capillary electrophoresis hyphenated with electrospray mass spectrometry (CE-ESI-MS) has emerged in the past decade as one of the most powerful bioanalytical techniques. As the sensitivity and efficiency of new CE-ESI-MS interface designs are continuously improving, numerical modeling can play important role during their development. In this review, different aspects of computer modeling and simulation of CE-ESI-MS interfaces are comprehensively discussed. Relevant essentials of hydrodynamics as well as state-of-the-art modeling techniques are critically evaluated. Sheath liquid-, sheathless-, and liquid-junction interfaces are reviewed from the viewpoint of multidisciplinary numerical modeling along with details of single and multiphase models together with electric field mediated flows, electrohydrodynamics, and free fluid-surface methods. Practical examples are given to help non-specialists to understand the basic principles and applications. Finally, alternative approaches like air amplifiers are also included. © 2014 Wiley Periodicals, Inc. Mass Spec Rev.

© 2014 Wiley Periodicals, Inc.


CE-ESI-MS; CFD; interface design; modeling; simulation

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