Chemometric approaches for polysaccharide viscosity profiling

Oksana Mykhalevych; Henrik Stapelfeldt; Rasmus Bro

doi:10.1016/j.carbpol.2024.122824

Chemometric approaches for polysaccharide viscosity profiling

Oksana Mykhalevych^*, Henrik Stapelfeldt, Rasmus Bro

^*Corresponding author af dette arbejde

Design and Consumer Behavior

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

2 Citationer (Scopus)

Abstract

Traditional viscosity measurements for carrageenan are laborious, present practical and environmental challenges, and fail to provide structure-property understanding for application and manufacturing development. We hypothesize that integrating Size Exclusion Chromatography (SEC) with Multi-Angle Light Scattering (MALS) and online viscometry, combined with chemometric techniques, can develop a more efficient and environmentally friendly method for determining the apparent viscosity of carrageenan solutions.
To test this hypothesis, predictive chemometric models were developed using SEC-MALS data for carrageenan extracted from four different seaweed species. By integrating SEC-MALS with Partial Least Squares (PLS) regression, key molecular parameters such as hydrodynamic radius, intrinsic viscosity, and molecular mass were identified as significant influencers of viscosity. The model for carrageenan from Eucheuma denticulatum yielded the lowest prediction error (RMSEP 8.4), while those for carrageenan extracted from Kappaphycus alvarezii or from several species of the Chondrus genus showed higher errors due to κ-carrageenan sensitivity. For carrageenan extracted from seaweed of the Gigartina genus, incorporating the root mean square radius resulted in a low prediction error of 10.
This study concludes that integrating SEC-MALS with PLS regression effectively identifies key molecular parameters influencing carrageenan viscosity, enhancing structure-property understanding and providing a reliable analytical method for optimizing quality control and application in various industries.

Originalsprog	Engelsk
Artikelnummer	122824
Tidsskrift	Carbohydrate Polymers
Vol/bind	348
Udgave nummer	Part A
Antal sider	14
ISSN	0144-8617
DOI	https://doi.org/10.1016/j.carbpol.2024.122824
Status	Udgivet - 2025

Bibliografisk note

Funding Information:
We extend our thanks to all colleagues at CP Kelco who shared their deep knowledge of carrageenan with us, especially Dr. Jan Larsen, Jette Andersen and the Analytical QC laboratory personnel for their assistance with method development for SEC-MALS-visco. Special thanks to Dr. Heidi Liva Pedersen for the great discussion of the advanced theory behind carrageenan rheology. Furthermore, Prof. Stepan Podzimek is kindly acknowledged for discussions and critical review of the manuscript. We thank Signe Fobian, B.Eng. internship student in the QC laboratory at CP Kelco, for sharing with us the SEC-MALS-visco measurements of 80 carrageenan samples from her bachelor's thesis project. Special recognition is given to the QC Carrageenan laboratory personnel for their assistance with viscosity measurements and equipment support. This work was supported by CP Kelco ApS as part of the industrial PhD program of the Innovation Fund Denmark (grant number: 104400009B). During the preparation of this work the authors used OpenAI's ChatGPT in order to improve readability and language. After using this tool/service, the authors reviewed and edited the content as needed and take full responsibility for the content of the publication.

Funding Information:
This work was supported by CP Kelco ApS as part of the industrial PhD program of the Innovation Fund Denmark (grant number: 104400009B ).

Publisher Copyright:
© 2024 Elsevier Ltd

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Citationsformater

@article{5840d772a2bb43009e0a49702e644526,

title = "Chemometric approaches for polysaccharide viscosity profiling",

abstract = "Traditional viscosity measurements for carrageenan are laborious, present practical and environmental challenges, and fail to provide structure-property understanding for application and manufacturing development. We hypothesize that integrating Size Exclusion Chromatography (SEC) with Multi-Angle Light Scattering (MALS) and online viscometry, combined with chemometric techniques, can develop a more efficient and environmentally friendly method for determining the apparent viscosity of carrageenan solutions. To test this hypothesis, predictive chemometric models were developed using SEC-MALS data for carrageenan extracted from four different seaweed species. By integrating SEC-MALS with Partial Least Squares (PLS) regression, key molecular parameters such as hydrodynamic radius, intrinsic viscosity, and molecular mass were identified as significant influencers of viscosity. The model for carrageenan from Eucheuma denticulatum yielded the lowest prediction error (RMSEP 8.4), while those for carrageenan extracted from Kappaphycus alvarezii or from several species of the Chondrus genus showed higher errors due to κ-carrageenan sensitivity. For carrageenan extracted from seaweed of the Gigartina genus, incorporating the root mean square radius resulted in a low prediction error of 10. This study concludes that integrating SEC-MALS with PLS regression effectively identifies key molecular parameters influencing carrageenan viscosity, enhancing structure-property understanding and providing a reliable analytical method for optimizing quality control and application in various industries.",

keywords = "Carrageenan, Chemometrics, PLS, SEC-MALS-visco, Viscosity",

author = "Oksana Mykhalevych and Henrik Stapelfeldt and Rasmus Bro",

note = "Publisher Copyright: {\textcopyright} 2024 Elsevier Ltd",

year = "2025",

doi = "10.1016/j.carbpol.2024.122824",

language = "English",

volume = "348",

journal = "Carbohydrate Polymers",

issn = "0144-8617",

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TY - JOUR

T1 - Chemometric approaches for polysaccharide viscosity profiling

AU - Mykhalevych, Oksana

AU - Stapelfeldt, Henrik

AU - Bro, Rasmus

PY - 2025

Y1 - 2025

N2 - Traditional viscosity measurements for carrageenan are laborious, present practical and environmental challenges, and fail to provide structure-property understanding for application and manufacturing development. We hypothesize that integrating Size Exclusion Chromatography (SEC) with Multi-Angle Light Scattering (MALS) and online viscometry, combined with chemometric techniques, can develop a more efficient and environmentally friendly method for determining the apparent viscosity of carrageenan solutions. To test this hypothesis, predictive chemometric models were developed using SEC-MALS data for carrageenan extracted from four different seaweed species. By integrating SEC-MALS with Partial Least Squares (PLS) regression, key molecular parameters such as hydrodynamic radius, intrinsic viscosity, and molecular mass were identified as significant influencers of viscosity. The model for carrageenan from Eucheuma denticulatum yielded the lowest prediction error (RMSEP 8.4), while those for carrageenan extracted from Kappaphycus alvarezii or from several species of the Chondrus genus showed higher errors due to κ-carrageenan sensitivity. For carrageenan extracted from seaweed of the Gigartina genus, incorporating the root mean square radius resulted in a low prediction error of 10. This study concludes that integrating SEC-MALS with PLS regression effectively identifies key molecular parameters influencing carrageenan viscosity, enhancing structure-property understanding and providing a reliable analytical method for optimizing quality control and application in various industries.

AB - Traditional viscosity measurements for carrageenan are laborious, present practical and environmental challenges, and fail to provide structure-property understanding for application and manufacturing development. We hypothesize that integrating Size Exclusion Chromatography (SEC) with Multi-Angle Light Scattering (MALS) and online viscometry, combined with chemometric techniques, can develop a more efficient and environmentally friendly method for determining the apparent viscosity of carrageenan solutions. To test this hypothesis, predictive chemometric models were developed using SEC-MALS data for carrageenan extracted from four different seaweed species. By integrating SEC-MALS with Partial Least Squares (PLS) regression, key molecular parameters such as hydrodynamic radius, intrinsic viscosity, and molecular mass were identified as significant influencers of viscosity. The model for carrageenan from Eucheuma denticulatum yielded the lowest prediction error (RMSEP 8.4), while those for carrageenan extracted from Kappaphycus alvarezii or from several species of the Chondrus genus showed higher errors due to κ-carrageenan sensitivity. For carrageenan extracted from seaweed of the Gigartina genus, incorporating the root mean square radius resulted in a low prediction error of 10. This study concludes that integrating SEC-MALS with PLS regression effectively identifies key molecular parameters influencing carrageenan viscosity, enhancing structure-property understanding and providing a reliable analytical method for optimizing quality control and application in various industries.

KW - Carrageenan

KW - Chemometrics

KW - PLS

KW - SEC-MALS-visco

KW - Viscosity

U2 - 10.1016/j.carbpol.2024.122824

DO - 10.1016/j.carbpol.2024.122824

M3 - Journal article

C2 - 39562099

AN - SCOPUS:85205479001

SN - 0144-8617

VL - 348

JO - Carbohydrate Polymers

JF - Carbohydrate Polymers

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M1 - 122824

ER -