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相关概念视频

High-Resolution Mass Spectrometry (HRMS)01:15

High-Resolution Mass Spectrometry (HRMS)

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The resolution of a mass spectrometer depends on the efficiency of separating ions with different ion masses. The mass of an atom is approximated to the sum of the masses of protons and neutrons inside, considering the masses of protons and neutrons as equal. However, the masses of the proton (1.6726 × 10−24 g) and neutron (1.6749 × 10−24 g) are not truly equal. There is a minor error in the expression of atomic masses relative to the simplest atom of hydrogen. For...
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Tandem Mass Spectrometry01:21

Tandem Mass Spectrometry

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Tandem mass spectrometry is a technique that uses multiple mass analyzers in series to obtain a higher selectivity and signal-to-noise ratio for the analyte. 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 collision-induced...
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Mass Spectrum01:23

Mass Spectrum

2.0K
A mass spectrum is the graphical representation of the relative abundance of the charged fragments in an analyte plotted against their mass-to-charge ratio (m/z). The plot's x axis represents the ratio of the mass of the charged fragment to the elementary charge it carries. The y axis of the plot represents the relative abundance of each charged species. The relative abundance is calculated from the signal intensity of each charged species recorded at the detector. The most intense signal...
2.0K
Mass Spectrum: Interpretation01:24

Mass Spectrum: Interpretation

1.2K
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 low-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...
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MALDI-TOF Mass Spectrometry01:19

MALDI-TOF Mass Spectrometry

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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...
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Comparing Mitochondrial, Chloroplast, and Prokaryotic Genomes02:16

Comparing Mitochondrial, Chloroplast, and Prokaryotic Genomes

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The present-day mitochondrial and chloroplast genomes have retained some of the characteristics of their ancestral prokaryotes and also have acquired new attributes during their evolution within eukaryotic cells. Like prokaryotic genomes, mitochondrial and chloroplast genomes neither bind with histone-like proteins nor show complex packaging into chromosome-like structures, as observed in eukaryotes. Unlike mitotic cell divisions observed in eukaryotic cells, mitochondria and chloroplasts...
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相关实验视频

Updated: Jul 7, 2025

Author Spotlight: Advancing Biotherapeutic Mass Calculation by Introducing mAbScale, a Python-Based Desktop Application
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md_harmonize:一个Python软件包,用于对公共代谢数据库进行原子级协调.

Huan Jin1, Hunter N B Moseley1,2,3,4,5

  • 1Department of Toxicology and Cancer Biology, University of Kentucky, Lexington, KY 40536, USA.

Metabolites
|December 22, 2023
PubMed
概括
此摘要是机器生成的。

本研究介绍了md_harmonize,这是一个Python包,可以在数据库中协调代谢数据. 它使代谢化合物和反应的统一分析成为可能,以改善研究整合.

关键词:
在Python中使用Python包.数据库的统一和数据库的协调最大的共同子结构.代谢物的代谢物.

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Single-throughput Complementary High-resolution Analytical Techniques for Characterizing Complex Natural Organic Matter Mixtures
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科学领域:

  • 生物信息学是一种生物信息学.
  • 计算生物学 计算生物学
  • 代谢学 代谢学 代谢学

背景情况:

  • 公共代谢资源的整合受到数据库之间不一致的命名体系的阻碍.
  • 缺乏标准化的标识符使得代谢学中的数据共享和分析变得复杂.

研究的目的:

  • 介绍md_harmonize,一个开源的Python包,用于协调代谢化合物和反应.
  • 为了促进各种代谢数据的无整合和下游分析.

主要方法:

  • 使用特定社区的图形彩色方法来识别化合物.
  • 基于化学结构和原子标识符生成独特的标识符.
  • 运用计算优化来处理复杂的问题.

主要成果:

  • 成功协调各种代谢数据库中的化合物和反应.
  • 能够构建原子分解的代谢网络.
  • 支持用标准化数据进行代谢流量分析.

结论:

  • md_harmonize提供了一个强大的解决方案,用于代谢学中的数据集成.
  • 该方案提高了公共代谢资源对研究的有用性.
  • 在 GitHub 和 PyPI 上的可用性促进了广泛的采用和使用.