对离子移动性光谱的重叠峰分离算法基于多策略JAYA JAYA
Weiyang Zhang1,2, Jing Cai3, Wenqing Gao2
1Faculty of Electrical Engineering and Computer Sciences, Ningbo University, Ningbo, China.
Rapid communications in mass spectrometry : RCM
|August 14, 2023
概括
一个新的多方策略JAYA算法 (MSJAYA) 有效地解决了离子移动性光谱学 (IMS) 中的重叠峰值,改善了化合物识别. 这种强大的方法可以在没有特殊参数的情况下提高IMS分辨率.
科学领域:
- 分析化学 分析化学
- 分离科学 分离科学
背景情况:
- 离子移动光谱 (IMS) 是分离科学中的一个关键的分析工具.
- 在IMS中结构分辨率不足往往导致重叠的峰值,阻碍了准确的分析.
- 需要一种方法来解决峰值重叠和提高IMS能力.
研究的目的:
- 开发一种新的方法来解决离子移动性光谱学中重叠的峰值.
- 提高IMS分析的结构性解决和准确性.
- 改进使用IMS的化合物的定性和定量分析.
主要方法:
- 这项研究使用了多战略JAYA算法 (MSJAYA).
- 这个算法使用人口信息平衡勘探和开发.
- 它旨在防止本地优化,并准确地解决重叠的峰值.
主要成果:
- MSJAYA的最大分离误差在0.6%以内,超过了其他测试的算法 (IPSO,DIWPSO,MDTLBO).
- 该算法表现出卓越的稳定性,与最小的分离误差波动.
- 为了准确的化合物识别,MSJAYA有效地获得了最佳的光谱峰值模型系数.
结论:
- 由于缺乏特殊参数要求,MSJAYA在IMS中的重叠峰分离提供了更好的应用性.
- 该方法使复杂的重叠峰的快速解卷分析成为可能.
- 这显著提高了离子流动性光谱的整体分辨率和分析能力.
相关概念视频
IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations
1.1K
Identical bonds within a polyatomic group can stretch symmetrically (in-phase) or asymmetrically (out-of-phase). Similar to hydrogen bonding, these vibrations also influence the shape of the IR peak. Generally, asymmetric stretching frequencies are higher than symmetric stretching frequencies. For example, primary amines exhibit two distinct IR peaks between 3300–3500 cm−1 corresponding to the symmetric and asymmetric N-H stretching, while secondary amines exhibit a single...
1.1K
Inductively Coupled Plasma-Mass Spectrometry (ICP-MS): Interferences
516
Inductively coupled plasma–mass spectrometry (ICP–MS) is a highly selective and sensitive technique for accurate elemental analysis. Though the analysis of ICP–MS mass spectra is comparatively straightforward, it is affected by spectroscopic and non-spectroscopic interferences. Spectroscopic interferences arise when the plasma contains ionic species with an m/z value the same as the analyte ion. Spectroscopic interference can be categorized as isobaric, polyatomic ions, and...
516
Mass Analyzers: Overview
725
The mass analyzer is a crucial component of the mass spectrometer. In the ionization chamber, the vaporized sample is bombarded with a high-energy electron beam to generate a radical cation and further fragment into neutral molecules, radicals, and cations. A series of negatively charged accelerator plates accelerate the cations into the mass analyzer. The mass analyzer separates ions according to their mass-to-charge (m/z) ratios and then directs them to the detector. The common types of mass...
725
¹H NMR: Interpreting Distorted and Overlapping Signals
1.1K
Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
1.1K
¹H NMR: Complex Splitting
1.3K
A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
1.3K
Optimizing Chromatographic Separations
436
Optimizing chromatographic separations is crucial for obtaining clean separations in a minimum amount of time. Optimization is required for several factors, including kinetic effects related to band broadening, plate height, capacity factor, and separation factor.
Band broadening refers to spreading solute bands as they travel through the column. This broadening can impact resolution. Plate height (H) represents the length required for one theoretical plate. A lower plate height corresponds to...
Band broadening refers to spreading solute bands as they travel through the column. This broadening can impact resolution. Plate height (H) represents the length required for one theoretical plate. A lower plate height corresponds to...
436


