Liu, Y;
Fearn, T;
Strlič, M;
(2021)
Quantitative NIR spectroscopy for determination of degree of polymerisation of historical paper.
Chemometrics and Intelligent Laboratory Systems
, 214
, Article 104337. 10.1016/j.chemolab.2021.104337.
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Abstract
This paper discusses the development of a near infrared (NIR) spectroscopic method coupled with multivariate analysis to characterise historical paper. Specifically, partial least squares (PLS) regression was used to predict one of the most important properties of paper as a condition indicator – degree of polymerisation (DP). Supported by a set of model cellulose samples, the NIR-PLS method for DP prediction was validated and the modelling approach that led to the best prediction of DP of paper was established. The coefficient of variation of the NIR-PLS models were found to be approximately 8% and 20% of the DP of model cellulose and historical paper, respectively. The variance of the reference DP, the variance of the predicted DP, and the model bias were identified as the main sources of the total expected generalisation error of prediction. For both model cellulose and historical paper, the variance of the predicted DP by the NIR-PLS models contributed the most to the total error of prediction. This suggests that improving the instrumentation and the operation procedure is essential to improve model performance. Furthermore, the effect of water content of the samples on model performance was investigated. The model for historical paper was proven to be robust to relative humidity fluctuations between 30% and 70%, indicating the applicability of the model for collection surveys in a range of environments.
| Type: | Article |
|---|---|
| Title: | Quantitative NIR spectroscopy for determination of degree of polymerisation of historical paper |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1016/j.chemolab.2021.104337 |
| Publisher version: | https://doi.org/10.1016/j.chemolab.2021.104337 |
| Language: | English |
| Additional information: | This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ |
| Keywords: | Cellulose, Degree of polymerisation (DP), Error evaluation, Multivariate analysis, Near-infrared (NIR) spectroscopy, Heritage science |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Statistical Science UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of the Built Environment UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of the Built Environment > Bartlett School Env, Energy and Resources |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10128317 |
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