质谱仪的多参数自动调整算法基于改进的粒子优化
Mingzheng Jia1,2, Liang Li3, Baolin Xiong1,2
1School of Biomedical Engineering (Suzhou), Division of Life Sciences and Medicine, University of Science and Technology of China, Hefei 230026, China.
Bioengineering (Basel, Switzerland)
|September 28, 2023
概括
本研究介绍了使用改进的粒子群优化 (PSO) 方法为四极质谱仪 (QMS) 的自动调整算法. 这种新的算法提高了用于临床和化学分析的质谱仪校准效率和准确性.
科学领域:
- 分析化学 分析化学
- 工具分析 工具分析
- 计算科学 计算科学
背景情况:
- 四极质谱仪 (QMS) 对于临床诊断和化学分析至关重要.
- 目前的QMS调整方法是手动的,劳动密集型,需要专家操作员,限制了效率和可重复性.
- 自动化QMS调整过程对于提高可访问性和性能至关重要.
研究的目的:
- 为QMS开发一个创新的自动调整算法.
- 提高自动化水平并降低QMS校准的复杂性.
- 通过自动化参数优化来实现QMS的最佳性能.
主要方法:
- 为QMS自动调整开发了一种改进的粒子群优化 (PSO) 算法.
- 该PSO算法集成模拟回火,多个惯性重量和动态边界,以避免局部最佳和过早的收.
- 基于质谱峰值特征的新型终止函数被引入以简化算法终止.
主要成果:
- 自动校准测试表明,分辨率和质量轴校准符合实验要求.
- 镜头和离子源参数的自动优化导致接近最佳解决方案的值,实现预期性能.
- 实验结果证实了算法的可重现性和QMS自动调节的有效性.
结论:
- 提出的自动调整算法成功优化了QMS参数,降低了调整难度.
- 这种自动化方法显著提高了质量管理系统校准的效率和可访问性.
- 该方法确保QMS仪器达到最佳状态,满足苛刻的分析要求.
相关概念视频
Mass Analyzers: Overview
711
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...
711
Peptide Identification Using Tandem Mass Spectrometry
6.5K
Tandem mass spectrometry, also known as MS/MS or MS2, is an analytical technique that employs two mass analyzers. Essentially it is a series of mass spectrometers that helps isolate a particular biomolecule and then helps study its chemical properties.
This technique helps gather information regarding the protein from which the peptide was obtained and to study the peptides’ amino acid sequence. Identifying peptides from a complex mixture is an important component of the growing field of...
This technique helps gather information regarding the protein from which the peptide was obtained and to study the peptides’ amino acid sequence. Identifying peptides from a complex mixture is an important component of the growing field of...
6.5K
Mass Spectrometers
5.6K
This lesson details the instrumentation of a mass spectrometer—a physical instrument to perform mass spectrometry on analyte molecules and record the characteristic mass spectra. This is achieved via three chief functions:
5.6K
Mass Spectrometry: Complex Analysis
818
Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
818
Mass Spectrometry: Overview
5.3K
Mass spectrometry is an analytical technique used to determine the molecular mass and molecular formula of a compound. The basic principle of mass spectrometry is to generate ions from the analyte molecule and measure these ion abundances against their molecular mass. One common type of ionization, known as electrospray ionization or EI, bombards the analyte molecules in the gas phase with high-energy electron beams. The electron beams displace an electron from the molecule and leave...
5.3K
Electrospray Ionization (ESI) Mass Spectrometry
908
Higher molecular weight biomolecules are nonvolatile compounds that may decompose before ionizing or vaporizing during mass analysis with conventional electron impact ionization methods. Accordingly, electrospray ionization (ESI) is the favored method for vaporizing and ionizing biomolecules as it circumvents rapid fragmentation and enables the recording of mass signals for the entire biomolecule.
ESI utilizes electrical energy to transfer ions from the liquid phase of the sample into the...
ESI utilizes electrical energy to transfer ions from the liquid phase of the sample into the...
908


