A fast method to measure the degree of oxidation of dialdehyde celluloses using multivariate calibration and infrared spectroscopy
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 th...
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| Veröffentlicht in: | Carbohydrate polymers 2022-02, Vol.278, p.118887-118887, Article 118887 |
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| container_title | Carbohydrate polymers |
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| creator | Simon, Jonas Tsetsgee, Otgontuul Iqbal, Nohman Arshad Sapkota, Janak Ristolainen, Matti Rosenau, Thomas Potthast, Antje |
| description | 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.
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| doi_str_mv | 10.1016/j.carbpol.2021.118887 |
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[Display omitted]</description><subject>Calibration</subject><subject>Carbohydrate Conformation</subject><subject>Cellulose - analogs & derivatives</subject><subject>Cellulose - chemistry</subject><subject>Chemical Sciences</subject><subject>Dialdehyde cellulose</subject><subject>Infrared spectroscopy</subject><subject>Multivariate calibration modelling</subject><subject>Near-infrared spectroscopy</subject><subject>Oxidation-Reduction</subject><subject>Partial least-squares regression</subject><subject>Periodate oxidation</subject><subject>Spectrophotometry, Infrared</subject><issn>0144-8617</issn><issn>1879-1344</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqFUcGO0zAQtRCI7S58AshHOKTYjhOnJ1StYBepEhc4W5N4vHWVxMF2Knrly3GUsld8Gdvz3hu9eYS842zLGa8_nbYdhHby_VYwwbecN02jXpANb9Su4KWUL8mGcSmLpubqhtzGeGL51Jy9Jjel3KlSiWpD_uyphZjogOnoDU0-3yDOAWk6IjX4FBCpt9T_dgaS8-PyMA56g8eLQdph38-9jxjpHN34RIe5T-4MwUHKXehdG1YejIa60QYIaGicsEvBx85PlzfklYU-4ttrvSM_v375cf9YHL4_fLvfH4pOyjoVkrXZuCoRm50E29mWVVXZto1VjTDKGCskSKhQSmEM5xbbtq5YKZGVCHVd3pGPq-4Rej0FN0C4aA9OP-4PevljZSV4Jaozz9gPK3YK_teMMenBxcUrjOjnqEXNa9HsuFpkqxXaZT8xoH3W5kwvUemTvkall6j0GlXmvb-OmNsBzTPrXzYZ8HkFYF7K2WHQsXM4dmhcyNvTxrv_jPgLKs2p1Q</recordid><startdate>20220215</startdate><enddate>20220215</enddate><creator>Simon, Jonas</creator><creator>Tsetsgee, Otgontuul</creator><creator>Iqbal, Nohman Arshad</creator><creator>Sapkota, Janak</creator><creator>Ristolainen, Matti</creator><creator>Rosenau, Thomas</creator><creator>Potthast, Antje</creator><general>Elsevier Ltd</general><general>Elsevier</general><scope>6I.</scope><scope>AAFTH</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>1XC</scope><scope>VOOES</scope></search><sort><creationdate>20220215</creationdate><title>A fast method to measure the degree of oxidation of dialdehyde celluloses using multivariate calibration and infrared spectroscopy</title><author>Simon, Jonas ; Tsetsgee, Otgontuul ; Iqbal, Nohman Arshad ; Sapkota, Janak ; Ristolainen, Matti ; Rosenau, Thomas ; Potthast, Antje</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c446t-40b10173ee894afcfb0553bb8f782d7ddf24a4a5e442dd11febb65034e03ea663</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Calibration</topic><topic>Carbohydrate Conformation</topic><topic>Cellulose - analogs & derivatives</topic><topic>Cellulose - chemistry</topic><topic>Chemical Sciences</topic><topic>Dialdehyde cellulose</topic><topic>Infrared spectroscopy</topic><topic>Multivariate calibration modelling</topic><topic>Near-infrared spectroscopy</topic><topic>Oxidation-Reduction</topic><topic>Partial least-squares regression</topic><topic>Periodate oxidation</topic><topic>Spectrophotometry, Infrared</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Simon, Jonas</creatorcontrib><creatorcontrib>Tsetsgee, Otgontuul</creatorcontrib><creatorcontrib>Iqbal, Nohman Arshad</creatorcontrib><creatorcontrib>Sapkota, Janak</creatorcontrib><creatorcontrib>Ristolainen, Matti</creatorcontrib><creatorcontrib>Rosenau, Thomas</creatorcontrib><creatorcontrib>Potthast, Antje</creatorcontrib><collection>ScienceDirect Open Access Titles</collection><collection>Elsevier:ScienceDirect:Open Access</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>Hyper Article en Ligne (HAL)</collection><collection>Hyper Article en Ligne (HAL) (Open Access)</collection><jtitle>Carbohydrate polymers</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Simon, Jonas</au><au>Tsetsgee, Otgontuul</au><au>Iqbal, Nohman Arshad</au><au>Sapkota, Janak</au><au>Ristolainen, Matti</au><au>Rosenau, Thomas</au><au>Potthast, Antje</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>A fast method to measure the degree of oxidation of dialdehyde celluloses using multivariate calibration and infrared spectroscopy</atitle><jtitle>Carbohydrate polymers</jtitle><addtitle>Carbohydr Polym</addtitle><date>2022-02-15</date><risdate>2022</risdate><volume>278</volume><spage>118887</spage><epage>118887</epage><pages>118887-118887</pages><artnum>118887</artnum><issn>0144-8617</issn><eissn>1879-1344</eissn><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.
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| ispartof | Carbohydrate polymers, 2022-02, Vol.278, p.118887-118887, Article 118887 |
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| language | eng |
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| source | MEDLINE; Access via ScienceDirect (Elsevier) |
| subjects | Calibration Carbohydrate Conformation Cellulose - analogs & derivatives Cellulose - chemistry Chemical Sciences Dialdehyde cellulose Infrared spectroscopy Multivariate calibration modelling Near-infrared spectroscopy Oxidation-Reduction Partial least-squares regression Periodate oxidation Spectrophotometry, Infrared |
| title | A fast method to measure the degree of oxidation of dialdehyde celluloses using multivariate calibration and infrared spectroscopy |
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