Jarvas Gabor, Guttman Andras, Foret Frantisek
CEITEC-Central European Institute of Technology, Brno, Czech Republic.
MTA-PE Translational Glycomics Research Group, MUKKI, University of Pannonia, Veszprem, Hungary.
Mass Spectrom Rev. 2015 Sep-Oct;34(5):558-69. doi: 10.1002/mas.21423. Epub 2014 Mar 26.
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 34: 558-569, 2015.
在过去十年中，毛细管电泳联用电喷雾质谱（CE-ESI-MS）已成为最强大的生物分析技术之一。随着新型CE-ESI-MS接口设计的灵敏度和效率不断提高，数值建模在其开发过程中可发挥重要作用。在本综述中，全面讨论了CE-ESI-MS接口计算机建模与模拟的不同方面。对流体动力学的相关要点以及最先进的建模技术进行了批判性评估。从多学科数值建模的角度对鞘液接口、无鞘接口和液接界接口进行了综述，同时介绍了单相和多相模型的细节，以及电场介导流、电流体动力学和自由流体表面方法。给出了实际例子以帮助非专业人士理解基本原理和应用。最后，还包括了空气放大器等替代方法。© 2014威利期刊公司。《质谱评论》34: 558-569, 2015。
