Numerical Simulation of Autoresonant Ion Oscillations in an Anharmonic Electrostatic Trap.

IF 3.1 2区 化学 Q2 BIOCHEMICAL RESEARCH METHODS Journal of the American Society for Mass Spectrometry Pub Date : 2024-12-04 Epub Date: 2024-11-07 DOI:10.1021/jasms.4c00356
Jesús E López, Jose A Hernández, Fredy F Parada-Becerra, Carlos J Páez-González, Petr Tsygankov, Eduardo A Orozco
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Abstract

This work presents the results of modeling the ion dynamics in the ART-MS (Autoresonant Trap Mass Spectrometry) device in the quasi-static approximation. This instrument utilizes an anharmonic, purely electrostatic trap for ion confinement and a radio frequency (RF) voltage source with decrementally varying frequency for selective ion extraction. The autoresonant interaction between the oscillatory motion of the ion and the RF voltage increases the amplitude of some confined ions, allowing their selective extraction. Numerical modeling shows that the extraction of ions with a given mass occurs not only at the fundamental frequency but also at its harmonics. This effect reduces the selective properties of devices of this type because along with the main mass component for a given frequency, it is possible to enter the detector channel of ions with another mass, for which this frequency corresponds to the second or higher harmonics, even a superposition of some of these harmonics of different ions.

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非谐波静电陷阱中离子自共振振荡的数值模拟
这项工作展示了在准静态近似条件下对 ART-MS(自共振阱质谱)装置中的离子动力学建模的结果。该仪器利用非谐波纯静电阱进行离子约束,并利用频率递减变化的射频(RF)电压源进行选择性离子萃取。离子的振荡运动与射频电压之间的自共振相互作用会增加某些被禁锢离子的振幅,从而使其能够被选择性地提取出来。数值建模表明,一定质量的离子提取不仅发生在基频上,也发生在谐波上。这种效应降低了此类设备的选择性,因为除了给定频率下的主要质量分量外,还有可能进入检测器通道的是另一种质量的离子,其频率对应于二次谐波或更高的谐波,甚至是不同离子的一些谐波的叠加。
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来源期刊
CiteScore
5.50
自引率
9.40%
发文量
257
审稿时长
1 months
期刊介绍: The Journal of the American Society for Mass Spectrometry presents research papers covering all aspects of mass spectrometry, incorporating coverage of fields of scientific inquiry in which mass spectrometry can play a role. Comprehensive in scope, the journal publishes papers on both fundamentals and applications of mass spectrometry. Fundamental subjects include instrumentation principles, design, and demonstration, structures and chemical properties of gas-phase ions, studies of thermodynamic properties, ion spectroscopy, chemical kinetics, mechanisms of ionization, theories of ion fragmentation, cluster ions, and potential energy surfaces. In addition to full papers, the journal offers Communications, Application Notes, and Accounts and Perspectives
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