Polypy: A Framework to Interpret Polymer Properties from Mass Spectrometry Data.

ABSTRACT: Mass spectrometry (MS) is a robust technique for polymer characterization, and it can provide the chemical fingerprint of a complete sample regarding polymer distribution chains. Nevertheless, polymer chemical properties such as polydispersity (Pd), average molecular mass (Mn), weight average molecular mass (Mw) and others are not determined by MS, as they are commonly characterized by gel permeation chromatography (GPC). In order to calculate polymer properties from MS, a Python script was developed to interpret polymer properties from spectroscopic raw data. Polypy script can be considered a peak detection and area distribution method, and represents the result of combining the MS raw data filtered using Root Mean Square (RMS) calculation with molecular classification based on theoretica

SUBMITTER: Vlnieska V 

PROVIDER: S-EPMC11244493 | biostudies-literature | 2024 Jun

REPOSITORIES: biostudies-literature