奥利戈蒸器:一个平台不可知软件工具MS和MS2数据分析复杂的寡核酸及其杂质的数据分析
Youzhong Liu1, Jennifer L Lippens1, Piotr Prostko2
1Janssen Pharmaceutica N.V., Turnhoutseweg 30, 2340 Beerse, Belgium.
Analytical chemistry
|December 29, 2024
概括
OligoDistiller是一款新的R包和网络工具,简化了对治疗性寡核酸复杂质谱数据的分析. 它自动识别和量化寡核酸杂质和重叠的同位素包裹,改进数据解释.
科学领域:
- * 制药科学 制药科学
- * 分析化学 分析化学
- * 生物信息学是一门学科.
背景情况:
- * 治疗性寡核酸是一种快速发展的药物类别.
- * 描述杂质概况和序列一致性等关键质量属性对于寡核酸药物开发至关重要.
- *液态染色体质谱 (LC-MS) 是主要的分析技术,但由于复杂的光谱,数据解释具有挑战性.
研究的目的:
- * 开发一个自动化和交互式的数据分析工具,用于质谱 (MS) 和MS2数据的寡核酸.
- * 解决解释复杂LC-MS数据的挑战,包括多个电荷状态,未知的物种和重叠的同位素包裹 (OIE).
主要方法:
- *开发了一个MS平台无关的R包和一个名为OligoDistiller的网络工具.
- * 应用OligoDistiller用于自动注释和定量MS光谱中的与寡核酸相关特征.
- *利用MS2数据对寡核酸链的序列覆盖分析.
主要成果:
- * OligoDistiller成功地注释和量化了复杂混合物中的45个与寡核酸相关的特征,包括13个未知杂质和6个OIE,解释了90.8%的检测到的峰值.
- *MS2分析为47mer的DNA链分配了主要产品离子,实现了80.3%的序列覆盖率.
- * 该工具提供同位素质量指标和用于原始数据检查的交互模块.
结论:
- * OligoDistiller 提供了一种强大的解决方案,用于自动和交互式分析寡核酸MS和MS2数据.
- * 该工具增强了治疗性寡核酸的关键质量属性的表征.
- * OligoDistiller促进了复杂质谱数据在寡核酸药物开发中的更高效,更准确的解释.
更多相关视频
08:232 in 1: One-step Affinity Purification for the Parallel Analysis of Protein-Protein and Protein-Metabolite Complexes
Published on: August 6, 2018
11.3K
12:11Simultaneous Affinity Enrichment of Two Post-Translational Modifications for Quantification and Site Localization
Published on: February 27, 2020
6.8K
相关概念视频
MALDI-TOF Mass Spectrometry
Mass spectrometry is a powerful characterization technique that can identify and separate a wide variety of compounds ranging from chemical to biological entities, based on their mass-to-charge ratio (m/z). The instruments that allow this detection, known as mass spectrometers, have three components: an ion source, a mass analyzer, and a detector. These spectrometers differ based on the nature of their ion source and analyzers.Matrix-assisted laser desorption ionization (MALDI) is a commonly...
Peptide Identification Using Tandem Mass Spectrometry
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...
Mass Spectrum: Interpretation
An unknown compound can be established by identifying the molecular ion peak in the mass spectrum. The molecular ion peak is often weak or absent due to the predominance of fragmentation in high-energy electron beams. In such cases, a soft-energy electron beam can be used to scan the spectrum to enhance the intensity of the molecular ion peak. Additionally, chemical ionization, field ionization, and desorption ionization spectra are used to obtain a relatively intense molecular ion peak.To...
Mass Analyzers: Overview
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...
Mass Spectrometry: Complex Analysis
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...
Tandem Mass Spectrometry
Tandem mass spectrometry is a technique that uses multiple mass analyzers in series to obtain a higher selectivity and reduce chemical noise during analyte detection. Instruments with multiple analyzers separated by an interaction cell enable secondary fragmentation and selected study of the fragment ions.Secondary fragmentations occur in the interaction cell and can be induced by various factors. Fragmentation induced by collision with inert gases, such as N2, Ar, He, etc., is called...
