Home > Research > Publications & Outputs > Assessment of ATR-FTIR spectroscopy with multiv...

Links

Text available via DOI:

View graph of relations

Assessment of ATR-FTIR spectroscopy with multivariate analysis to investigate the binding mechanisms of Ag and TiO2 nanoparticles to Chelex®-100 or Metsorb™ for the DGT technique

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Published

Standard

Assessment of ATR-FTIR spectroscopy with multivariate analysis to investigate the binding mechanisms of Ag and TiO2 nanoparticles to Chelex®-100 or Metsorb™ for the DGT technique. / Pouran, H.; Perez Colodrero, R.; Wu, S.; Hix, G.; Zakharova, J.; Zhang, H.

In: Analytical Methods, Vol. 12, No. 7, 21.02.2020, p. 959-969.

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Harvard

APA

Vancouver

Author

Bibtex

@article{45c71fa58ba54ef4b628f3dbd173358a,
title = "Assessment of ATR-FTIR spectroscopy with multivariate analysis to investigate the binding mechanisms of Ag and TiO2 nanoparticles to Chelex{\textregistered}-100 or Metsorb{\texttrademark} for the DGT technique",
abstract = "Studying nanomaterials' ecotoxicology is not new but there are still gaps in our understanding of their fate in the environment. A major challenge is lack of reliable tools to measure available concentrations of nanoparticles (NPs) in soil and water. Diffusive gradients in thin-films (DGT) is a robust technique for measuring the concentrations of trace metals in the environment. We have also shown that it could be potentially developed for measuring ZnO NPs. To further investigate the suitability of DGT for measuring the available concentrations of NPs in soil and water we selected two model nanoparticles, Ag and TiO2, which are widely used and incorporated in different commercial products. We aimed to understand (1) if two of the DGT binding agents, Chelex{\textregistered}-100 and Metsorb{\texttrademark}, could irreversibly retain our model NPs and if yes (2) what might be the differences between bound Ag and TiO2 NPs and Ag+ and Ti4+ cations. We used ATR-FTIR spectroscopy for this purpose and analysed the IR spectra using principal component analysis and linear discriminant analysis (PCA-LDA), as our pattern recognition tool. The results show that the DGT resins form chemical bonds with silver and titanium nanoparticles and their ionic forms. PCA-LDA demonstrates that the binding mechanisms are statistically different (95% confidence level) among the treatments. This study indicates DGT's potential for measuring the available concentrations of NPs in the environment and suggests that ATR-FTIR spectroscopy combined with computational analysis could potentially differentiate between chemical species that are retained simultaneously by the DGT device resin layer.",
keywords = "Bond strength (chemical), Data handling, Discriminant analysis, Fourier transform infrared spectroscopy, II-VI semiconductors, Multivariant analysis, Nanoparticles, Pattern recognition, Principal component analysis, Resins, Spectrum analysis, Supersaturation, TiO2 nanoparticles, Titanium dioxide, Trace elements, Zinc oxide, ATR FT-IR spectroscopies, Commercial products, Computational analysis, Diffusive gradients in thin films, Linear discriminant analysis, Multi variate analysis, Nanoparticle (NPs), Titanium nanoparticles, Chemical analysis",
author = "H. Pouran and {Perez Colodrero}, R. and S. Wu and G. Hix and J. Zakharova and H. Zhang",
year = "2020",
month = feb,
day = "21",
doi = "10.1039/c9ay02458a",
language = "English",
volume = "12",
pages = "959--969",
journal = "Analytical Methods",
issn = "1759-9660",
publisher = "Royal Society of Chemistry",
number = "7",

}

RIS

TY - JOUR

T1 - Assessment of ATR-FTIR spectroscopy with multivariate analysis to investigate the binding mechanisms of Ag and TiO2 nanoparticles to Chelex®-100 or Metsorb™ for the DGT technique

AU - Pouran, H.

AU - Perez Colodrero, R.

AU - Wu, S.

AU - Hix, G.

AU - Zakharova, J.

AU - Zhang, H.

PY - 2020/2/21

Y1 - 2020/2/21

N2 - Studying nanomaterials' ecotoxicology is not new but there are still gaps in our understanding of their fate in the environment. A major challenge is lack of reliable tools to measure available concentrations of nanoparticles (NPs) in soil and water. Diffusive gradients in thin-films (DGT) is a robust technique for measuring the concentrations of trace metals in the environment. We have also shown that it could be potentially developed for measuring ZnO NPs. To further investigate the suitability of DGT for measuring the available concentrations of NPs in soil and water we selected two model nanoparticles, Ag and TiO2, which are widely used and incorporated in different commercial products. We aimed to understand (1) if two of the DGT binding agents, Chelex®-100 and Metsorb™, could irreversibly retain our model NPs and if yes (2) what might be the differences between bound Ag and TiO2 NPs and Ag+ and Ti4+ cations. We used ATR-FTIR spectroscopy for this purpose and analysed the IR spectra using principal component analysis and linear discriminant analysis (PCA-LDA), as our pattern recognition tool. The results show that the DGT resins form chemical bonds with silver and titanium nanoparticles and their ionic forms. PCA-LDA demonstrates that the binding mechanisms are statistically different (95% confidence level) among the treatments. This study indicates DGT's potential for measuring the available concentrations of NPs in the environment and suggests that ATR-FTIR spectroscopy combined with computational analysis could potentially differentiate between chemical species that are retained simultaneously by the DGT device resin layer.

AB - Studying nanomaterials' ecotoxicology is not new but there are still gaps in our understanding of their fate in the environment. A major challenge is lack of reliable tools to measure available concentrations of nanoparticles (NPs) in soil and water. Diffusive gradients in thin-films (DGT) is a robust technique for measuring the concentrations of trace metals in the environment. We have also shown that it could be potentially developed for measuring ZnO NPs. To further investigate the suitability of DGT for measuring the available concentrations of NPs in soil and water we selected two model nanoparticles, Ag and TiO2, which are widely used and incorporated in different commercial products. We aimed to understand (1) if two of the DGT binding agents, Chelex®-100 and Metsorb™, could irreversibly retain our model NPs and if yes (2) what might be the differences between bound Ag and TiO2 NPs and Ag+ and Ti4+ cations. We used ATR-FTIR spectroscopy for this purpose and analysed the IR spectra using principal component analysis and linear discriminant analysis (PCA-LDA), as our pattern recognition tool. The results show that the DGT resins form chemical bonds with silver and titanium nanoparticles and their ionic forms. PCA-LDA demonstrates that the binding mechanisms are statistically different (95% confidence level) among the treatments. This study indicates DGT's potential for measuring the available concentrations of NPs in the environment and suggests that ATR-FTIR spectroscopy combined with computational analysis could potentially differentiate between chemical species that are retained simultaneously by the DGT device resin layer.

KW - Bond strength (chemical)

KW - Data handling

KW - Discriminant analysis

KW - Fourier transform infrared spectroscopy

KW - II-VI semiconductors

KW - Multivariant analysis

KW - Nanoparticles

KW - Pattern recognition

KW - Principal component analysis

KW - Resins

KW - Spectrum analysis

KW - Supersaturation

KW - TiO2 nanoparticles

KW - Titanium dioxide

KW - Trace elements

KW - Zinc oxide

KW - ATR FT-IR spectroscopies

KW - Commercial products

KW - Computational analysis

KW - Diffusive gradients in thin films

KW - Linear discriminant analysis

KW - Multi variate analysis

KW - Nanoparticle (NPs)

KW - Titanium nanoparticles

KW - Chemical analysis

U2 - 10.1039/c9ay02458a

DO - 10.1039/c9ay02458a

M3 - Journal article

VL - 12

SP - 959

EP - 969

JO - Analytical Methods

JF - Analytical Methods

SN - 1759-9660

IS - 7

ER -