19
Identification and classification of textile fibres using ATRFTIR spectroscopy with chemometric methods Pilleriin Peets, Signe Vahur and Ivo Leito University of Tartu, Institute of Chemistry, Ravila 14a, 50411 Tartu, Estonia Technart 2017, Bilbao May 26, 2017

and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

  • Upload
    others

  • View
    1

  • Download
    0

Embed Size (px)

Citation preview

Page 1: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Identification and classification of textile fibres using ATR‐FT‐IR 

spectroscopy with chemometric methods

Pilleriin Peets, Signe Vahur and Ivo LeitoUniversity of Tartu, Institute of Chemistry, Ravila 14a, 50411 Tartu, Estonia

Technart 2017,  Bilbao May 2‐6, 2017

Page 2: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

About us

• University of Tartu

Chair of Analytical Chemistry

• Other studies in our researchgroup

• Painting materials• Paper• Varnishes• Dyes• … 

• PhD student :Development of set of methodologies on the basis of instrumental techniques for analysing textiles, dyes and related materials

2

Page 3: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Importance of textile analysis

• Conservation

• Arhaeology

• Authenticity

control

• Forensic science

3

Carpet from the Estonian National Museum

Page 4: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Analysis methods fortextile fibres

• Microscopic analysis

• Burning test

• Solubility test

• Pyrolysis gas‐chromatography

• ATR‐FT‐IR

4

Page 5: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Aims of theResearch

5Peets, P.; Leito, I.; Pelt, J.; Vahur, S. Spectrochimica Acta Part A. 2017, 173, 175−181.

Page 6: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Attenuated Total Reflectance FourierTransform InfraRed spectroscopy

• Easy

• Quick

• Non‐destructive

• Qualitative and (semi‐)quantitative analysis

6

Page 7: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

ATR‐FT‐IR spectra of fibres

7

Vahur, S. et al. Anal. Bioanal. Chem. 2016, 408, 3373−3379.

http://tera.chem.ut.ee/IR_spectra

vO‐H/N‐H v

C=O v

C‐N‐H d

C=O v

C≡N v

vO‐H v vC‐O v

Page 8: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Microscopic analysis

Cotton Linen

8

Page 9: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Homogeneity analysis withoptical stereomicroscopy

Homogeneous mixture                  Inhomogeneous mixture

9

Page 10: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Homogeneity analysis withATR–FTIR microspectroscopy

10

Polyester – cotton textileMapping made using C=O at 1714 cm‐1

Area 16.25 mm2, 294 spectra in total

Page 11: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Classification of single‐component fibres with PCA

11

• 89 spectra of 11 one‐component fibre classes for creating the PCA model

• Thermo Scientific TQ AnalystPro 9.0 software was used

• Spectral range: 250‐3650 cm‐1

Variances described by the principal components were: PC1 45%, PC2 31%, PC3 13%.

Page 12: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Classification of mixedtwo‐component fibres with PCA

12

• 11 pure and 15 different binary fibres, 316 spectra in total for creating PCA model

Variances described by the principal 

components were: PC1 46%, PC2 26%,

PC3 18%.

Page 13: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Memorial chaplet from 1924

13

War of independencememorial statue

Chaplet from 1924

Ribbon from the chaplet

Piece for analysis

Sample from CONSERVATION AND DIGITIZATION CENTRE KANUT (http://evm.ee/est/kanut)

2 mm

Page 14: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Piece of ribbon frommemorialchaplet

14

PROTEIN BASED

CELLULOSEBASED 

UNKNOWN SAMPLE

Page 15: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Piece of ribbon frommemorialchaplet

15

SILK

COTTON

Page 16: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Authenticity control

16

VISCOSE!!!

Page 17: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Conclusions

• ATR‐FT‐IR is quick, easy, non‐destructive method

• Collection of interpreted reference ATR‐FT‐IR spectra

• Combination of ATR‐FT‐IR and optical microscope

• ATR–FTIR microspectroscopy for homogeneity analyses

• Classification to identify unknown textile samples

17

Page 18: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

Acknowledgements

18

Estonian National Museum

This work was supported by the Institutional Funding IUT20‐14 and by the Personal Research Funding PUT1521 from the Estonian Ministry of Education and Research

CONSERVATION AND DIGITIZATION CENTRE KANUT

Page 19: and classification of ATR FT IR spectroscopy with ...each.ut.ee/EACH/wp-content/uploads/2017/05/Technart2017...2017/01/05  · Identification and classification of textile fibres using

19

Thank you for your attention!

Welcome to visit us:http://tera.chem.ut.ee/IR_spectra