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相关概念视频

Mass Spectrometry: Molecular Fragmentation Overview01:20

Mass Spectrometry: Molecular Fragmentation Overview

5.4K
The ionization of a molecule into a molecular ion inside the mass spectrometer causes instability in the molecule's structure due to the loss of an electron. This eventually leads to the fragmentation or breaking of some bonds in the molecule. The fragmentation occurs predominantly at specific bonds to yield relatively stable fragments.
One type of fragmentation pattern is the cleavage of a single bond in the molecular ion. The cleavage leads to a radical and a cation. The cleavage can occur at...
5.4K
Maxam-Gilbert Sequencing01:05

Maxam-Gilbert Sequencing

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In the same year as the discovery of the Sanger sequencing method, another group of scientists, Allan Maxam and Walter Gilbert, demonstrated their chemical-cleavage method for DNA sequencing. The Maxam-Gilbert method relies on using different chemicals that can cleave the DNA sequence at specific sites, the separation of resulting DNA fragments of variable size using electrophoresis, and deciphering the DNA sequence from the resulting gel bands.
Challenges of the Maxam-Gilbert Method
The...
12.6K
Mass Spectrometry: Alcohol Fragmentation01:03

Mass Spectrometry: Alcohol Fragmentation

4.4K
Alcohols (R-OH) ionize to lose one non-bonded electron from the oxygen atom, forming molecular ions. Due to their tendency to fragment rapidly, the intensity of the molecular ion peak in the mass spectrum is weak or sometimes absent. The fragmentation patterns for alcohols occur in two ways, i.e. ⍺-cleavage and dehydration. During ⍺-cleavage, the bond at the ⍺-position adjacent to the hydroxyl group cleaves to give a resonance-stabilized cation and a radical. However, intramolecular...
4.4K
Mass Spectrometry: Branched Alkane Fragmentation01:29

Mass Spectrometry: Branched Alkane Fragmentation

1.7K
This lesson delves into the mass spectrometry of branched alkane fragmentation. Branched alkanes possess secondary or tertiary carbon atoms, which generate relatively stable carbocations if the cleavage occurs at the branching point. The high stability of carbocations drives the instant fragmentation of branched alkanes. Accordingly, the branched alkane's molecular ion peak is very weak or invisible in the mass spectra, especially in comparison to a linear alkane.
1.7K
Fixing Double-strand Breaks02:04

Fixing Double-strand Breaks

14.3K
The double-stranded structure of DNA has two major advantages. First, it serves as a safe repository of genetic information where one strand serves as the back-up in case the other strand is damaged. Second, the double-helical structure can be wrapped around proteins called histones to form nucleosomes, which can then be tightly wound to form chromosomes. This way, DNA chains up to 2 inches long can be contained within microscopic structures in a cell. A double-stranded break not only damages...
14.3K
Mass Spectrometry: Long-Chain Alkane Fragmentation01:18

Mass Spectrometry: Long-Chain Alkane Fragmentation

2.4K
The molecular ions of linear alkanes prefer to fragment at the carbon-carbon bond away from the end of the chain since the cleavage of an inner bond creates a stable carbocation and a stable radical. Consequently, the mass signals of linear alkanes feature intense peaks in the middle of the mass-to-charge ratio plot with weaker peaks on either end. The fragmentation of each carbon-carbon bond with the release of a methyl group in each splitting leads to prominent peaks in the mass spectra...
2.4K

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相关实验视频

Updated: Jan 17, 2026

NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
09:19

NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode

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一个分子碎片数据库通过模拟序列单键断裂生成.

Jesse Fraser1,2, Arun S Moorthy1,2

  • 1Applied Modelling and Quantitative Methods Graduate Program, Trent University, Peterborough, ON K9L 0G2, Canada.

Journal of the American Society for Mass Spectrometry
|September 17, 2025
PubMed
概括
此摘要是机器生成的。

我们开发了模拟序列单键断裂 (3S2B) 算法来生成分子碎片. 这创建了一个数据库,用于预测结构,评估质谱和识别未知的化合物.

关键词:
算法算法是一种算法.药物识别 药物识别 药物识别质谱解释 质谱解释数字模拟的数字模拟.

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DamID-seq: Genome-wide Mapping of Protein-DNA Interactions by High Throughput Sequencing of Adenine-methylated DNA Fragments
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DamID-seq: Genome-wide Mapping of Protein-DNA Interactions by High Throughput Sequencing of Adenine-methylated DNA Fragments

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Analyzing and Building Nucleic Acid Structures with 3DNA
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Analyzing and Building Nucleic Acid Structures with 3DNA

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相关实验视频

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NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
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DamID-seq: Genome-wide Mapping of Protein-DNA Interactions by High Throughput Sequencing of Adenine-methylated DNA Fragments
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Analyzing and Building Nucleic Acid Structures with 3DNA
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科学领域:

  • 计算化学计算化学
  • 化学信息学 化学信息学
  • 质谱测量质量谱测量

背景情况:

  • 精确的分子结构阐明在化学中至关重要.
  • 质谱法是分子分析的强大工具.
  • 生成和利用分子碎片数据库可以帮助结构确定.

研究的目的:

  • 为了引入模拟序列单键断 (3S2B) 算法.
  • 创建一个可搜索的分子碎片数据库.
  • 为了证明这个数据库在质谱应用中的实用性.

主要方法:

  • 3S2B算法模拟了连续的单键分裂,以产生分子碎片.
  • 这些碎片的数据库是从化学结构列表中构建的.
  • 该数据库用于从质量值预测结构,评估光谱和识别未知值.

主要成果:

  • 一个简单的算法用于生成分子碎片已经成功实现.
  • 创建了一个可搜索的分子碎片数据库.
  • 该数据库在预测分子结构,评估质谱质量和识别未知的化合物方面表现出实用性.

结论:

  • 3S2B算法为生成分子碎片提供了一种新的方法.
  • 由此产生的分子碎片数据库是基于质谱的化合物识别和结构阐释的宝贵资源.
  • 开发的算法和数据库为推进化学分析提供了潜力.