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Discrimination of FTIR spectra and chromatograms obtained from Py-GC/MS technique supported by multidimensional data compressing methods.

2013/11/N/ST4/01547

Keywords:

polymer microtraces FTIR Py-GC-MS discrimination data dimensionality reduction likelihood ratio empirical cross entropy

Descriptors:

  • ST4_6: Instrumental methods in chemistry
  • ST4_8: Organic chemistry
  • ST4_18: Radiation and nuclear chemistry

Panel:

ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development

Host institution :

Uniwersytet Jagielloński, Wydział Chemii

woj. małopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Agnieszka Martyna 

Number of co-investigators in the project: 3

Call: PRELUDIUM 6 - announced on 2013-09-16

Amount awarded: 99 996 PLN

Project start date (Y-m-d): 2014-08-14

Project end date (Y-m-d): 2016-08-13

Project duration:: 24 months (the same as in the proposal)

Project status: Project settled

Information in the final report

  • Publication in academic press/journals (3)
  1. Forensic comparison of pyrograms using score-based likelihood ratios
    Authors:
    Agnieszka Martyna, Grzegorz Zadora, Daniel Ramos
    Academic press:
    Journal of Analytical and Applied Pyrolysis (rok: 2018, tom: 133, strony: 198-215), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.jaap.2018.03.024 - link to the publication
  2. Interpretation of FTIR spectra of polymers and Raman spectra of car paints by means of likelihood ratio approach supported by wavelet transform for reducing data dimensionality
    Authors:
    Agnieszka Martyna, Aleksandra Michalska, Grzegorz Zadora
    Academic press:
    Analytical and Bioanalytical Chemistry (rok: 2015, tom: 407, strony: 3357-3376), Wydawca: Springer
    Status:
    Published
    DOI:
    10.1007/s00216-015-8558-9 - link to the publication
  3. Hybrid approach combining chemometrics and likelihood ratio framework for reporting the evidential value of spectra
    Authors:
    Agnieszka Martyna, Grzegorz Zadora, Tereza Neocleous, Aleksandra Michalska, Nema Dean
    Academic press:
    Analytica Chimica Acta (rok: 2016, tom: 931, strony: 34-46), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.aca.2016.05.016 - link to the publication

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