Abstract
The properties of dialdehyde celluloses, which are usually generated by periodate oxidation, are highly dependent on the aldehyde content, i.e. the degree of oxidation (DO). Thus far, the established methods for determining the DO in dialdehyde celluloses lack simplicity or sufficient speed. More than 60 dialdehyde cellulose samples with varying aldehyde content were analysed by near-infrared and Fourier-transform infrared spectroscopy. This was found to be a reliable method for quickly predicting the DO if combined with partial least squares regression (PLSR). The proposed PLSR models can predict the DO with a high determination coefficient (R2) of 99% when applied to a single pulp type and 94% when applied to multiple types. This new approach quickly and reliably determines the DO of dialdehyde celluloses. It can be easily implemented in everyday research to save money, time and resources, especially because the raw datasets and measured DO values are provided.
Highlights
To cite this version: Jonas Simon, Otgontuul Tsetsgee, Nohman Arshad Iqbal, Janak Sapkota, Matti Ristolainen, et al
Fourier transform and near infrared dataset of dialdehyde celluloses used to determine the degree of oxidation with chemometric analysis
This dataset is related to the research article entitled “A fast method to measure the degree of oxidation of dialdehyde celluloses using multivariate calibration and infrared spectroscopy”
Summary
All data refer to the original research article “A fast method to measure the degree of oxidation of dialdehyde celluloses using multivariate calibration and infrared spectroscopy” [3]. The isolated DAC samples were used to construct four PLSR models that correlate the NIR and FTIR data with the corresponding DO. The provided data can be used to reproduce the PLSR models with any chemometrics software package or use the analysed Opus files to predict the DO in any periodate oxidized cellulose sample. The following sections are expanded versions of the description of the methods presented in our previous works [3]
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