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相关概念视频

Polymers: Molecular Weight Distribution01:10

Polymers: Molecular Weight Distribution

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For any given polymer, the weight average molecular weight (Mw) is higher than, if not equal to, the number average molecular weight (Mn). The only situation in which the weight average molecular weight and the number average molecular weight are equal is when a polymer consists only of chains with equal molecular weight. However, this never happens in a synthetic polymer, since it is difficult to control the polymerization process up to a molecular level with accuracy to a hundred percent.
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Polymers: Defining Molecular Weight01:01

Polymers: Defining Molecular Weight

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Unlike small molecules with definite molecular weights, polymers are a mixture of individual polymer chains of varying lengths, each with a unique molecular weight.  So, the molecular weight of a polymer is expressed as an average value based on the average size of the polymer chains. The two most common forms of averages used for polymers are the number average molecular weight and weight average molecular weight.
The number average molecular weight (Mn) is the summation of the number...
2.8K
Mass Spectrometry: Complex Analysis01:21

Mass Spectrometry: Complex Analysis

740
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...
740
Mass Spectrometry: Overview01:19

Mass Spectrometry: Overview

5.0K
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...
5.0K
Mass Spectrometry: Aromatic Compound Fragmentation01:23

Mass Spectrometry: Aromatic Compound Fragmentation

1.7K
Upon ionization, aromatic compounds generate a molecular ion that is observed as a prominent peak in their mass spectra. For example, the molecular ion peak for benzene appears at a mass-to-charge ratio of 78, while toluene is observed at a mass-to-charge ratio of 92. The molecular ion benzene is highly stable and does not readily undergo further fragmentation due to the significant amount of energy required to disrupt the aromatic stability of the benzene ring. In contrast, the molecular ion...
1.7K
Peptide Identification Using Tandem Mass Spectrometry01:33

Peptide Identification Using Tandem Mass Spectrometry

6.4K
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...
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Updated: Jun 21, 2025

Characterization of Synthetic Polymers via Matrix Assisted Laser Desorption Ionization Time of Flight MALDI-TOF Mass Spectrometry
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聚合物:从质谱数据解释聚合物特性的一个框架.

Vitor Vlnieska1,2, Ankita Khanda3, Evgeniia Gilshtein4

  • 1Laboratory for Functional Polymers, Swiss Federal Laboratories for Materials Science and Technology (EMPA), Überlandstrasse 129, 8600 Dübendorf, Switzerland.

Polymers
|July 13, 2024
PubMed
概括
此摘要是机器生成的。

一个新的Python脚本,Polypy,可以直接从质谱 (MS) 原始数据计算分子质量和多分散性等聚合物特性. 这种方法提供了一种补充传统的凝透色谱 (GPC) 的方法,用于聚合物表征.

关键词:
阿里尔树脂是一种树脂.凝透色谱学 凝透色谱学质聚合物质量聚合.质谱法 质谱法 质谱法 质谱法聚合物链分销链中的聚合物.聚合物表征的聚合物表征聚合物是一种聚合物.Python 是一个 Python 语言.

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科学领域:

  • 聚合物科学 聚合物科学
  • 分析化学 分析化学
  • 计算化学的计算化学

背景情况:

  • 质谱法 (MS) 对聚合物表征有价值,提供化学指纹.
  • 传统的方法,如凝浸透色谱 (GPC),用于确定多分散性 (Pd),数值平均分子质量 (Mn) 和重量平均分子质量 (Mw) 等特性.
  • 单独的MS通常不会提供这些定量聚合物特性.

研究的目的:

  • 从MS原始数据开发一个计算方法来计算关键的聚合物特性.
  • 通过将结果与GPC数据进行比较来验证开发方法的准确性.
  • 证明基于MS的聚合物表征对于获得GPC无法获得的额外信息的实用性.

主要方法:

  • 开发了一个名为Polypy的Python脚本,用于处理MS原始数据.
  • 根平均平方 (RMS) 过和分子分类的应用,基于多种类型内的理论摩尔质量.
  • 作为一个案例研究,对烯树脂 (多2,2-bis4-氧-2-甲基氧) 的分析.
  • 整合可视化工具用于数据分析.

主要成果:

  • 波利普成功计算了烯树脂样本的Mn,Mw和Pd.
  • 计算的值 (Mn = 584.42 Da, Mw = 649.29 Da, Pd = 1.11) 与 GPC 结果 (Mn = 607 Da, Mw = 631 Da, Pd = 1.015) 一致.
  • 波利皮提供了额外的数据,例如寡头分布百分比,这些数据无法通过GPC获得.

结论:

  • 波利皮脚本提供了一种可行的方法,用于仅使用MS原始光谱来确定主要聚合物的化学性质.
  • 这种方法通过补充GPC数据并提供新的分析见解来增强聚合物表征.
  • 波利皮可适应分析来自各种聚合物矩阵的MS原始数据.