A Short-Cut Data Mining Method for the Mass Spectrometric Characterization of Block Copolymers

A new data mining approach as a short cut method is given for the determination of the copolymer composition from mass spectra. Our method simplifies the copolymer mass spectra by reduction of the number of mass peaks. The proposed procedure, namely the selection of the mass peaks, which is based on the most abundant peak of the mass spectrum, can be performed manually or more efficiently using our recently invented Mass-remainder analysis (MARA). The considerable reduction of the MS spectra also simplifies the calculation of the copolymer quantities for instance the number- and weight-average molecular weights (Mn and Mw, respectively), polydispersity index (Đ = Mw/Mn), average molar fraction (cA) and weight fraction (wA) of the comonomer A and so on. These copolymer properties are in line with those calculated by a reference method taking into account all the mass peaks of the copolymer distribution. We also suggest a highly efficient method and template for the determination of the composition drift by processing the reduced mass spectra.

Download Full-text

A Software Tool for Determination of Breast Cancer Treatment Methods Using Data Mining Approach

Journal of Medical Systems ◽

10.1007/s10916-009-9427-x ◽

2010 ◽

Vol 35 (6) ◽

pp. 1503-1511 ◽

Cited By ~ 13

Author(s):

Abdülkadir Çakır ◽

Burçin Demirel

Keyword(s):

Breast Cancer ◽

Data Mining ◽

Cancer Treatment ◽

Software Tool ◽

Breast Cancer Treatment ◽

Treatment Methods ◽

Data Mining Approach ◽

Using Data

Download Full-text

Polymer Characterization by Electrospray-Mass- Spectrometry – shifting the upper mass limit

e-Polymers ◽

10.1515/epoly.2007.7.1.98 ◽

2007 ◽

Vol 7 (1) ◽

Cited By ~ 3

Author(s):

Seda Kehr ◽

Heinrich Luftmann

Keyword(s):

Mass Spectrometry ◽

Mass Spectra ◽

Electrospray Mass Spectrometry ◽

Mass Spectrometric ◽

Mass Limit ◽

Polymer Characterization ◽

Molecular Weights ◽

Complex Mass ◽

End Groups

AbstractThe described approach allows the determination of homopolymer characteristics from complex electrospray mass spectra of multicharged ions in the range of 5000 to 20000. It makes mass spectrometric characterizations possible where compounds are fragmented under MALDI conditions. The determination is accomplished by simulation of the observed complex mass spectra with an Excel based computer program (PolyCalc). The parameters molecular weight (M), reduced sum of end groups (EG), mean molecular weights and polydispersity (Mn, Mw, PDI) are obtained by recursive iteration.

Download Full-text

Transmission Electron Microscopy of Protein Macromolecules

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100066176 ◽

1971 ◽

Vol 29 ◽

pp. 424-425

Author(s):

Henry S. Slayter

Keyword(s):

Biological Systems ◽

Metal Vapor ◽

Resolving Power ◽

Electron Microscopic ◽

Chemical Methods ◽

Molecular Weights ◽

The Past ◽

Physical Chemical ◽

Transmission Electron

Electron microscopic methods have been applied increasingly during the past fifteen years, to problems in structural molecular biology. Used in conjunction with physical chemical methods and/or Fourier methods of analysis, they constitute powerful tools for determining sizes, shapes and modes of aggregation of biopolymers with molecular weights greater than 50, 000. However, the application of the e.m. to the determination of very fine structure approaching the limit of instrumental resolving power in biological systems has not been productive, due to various difficulties such as the destructive effects of dehydration, damage to the specimen by the electron beam, and lack of adequate and specific contrast. One of the most satisfactory methods for contrasting individual macromolecules involves the deposition of heavy metal vapor upon the specimen. We have investigated this process, and present here what we believe to be the more important considerations for optimizing it. Results of the application of these methods to several biological systems including muscle proteins, fibrinogen, ribosomes and chromatin will be discussed.

Download Full-text