High-Throughput and comprehensive analysis of technical lignins using rapid IR spectroscopy combined with chemometrics

At the CF ALICE, we offer a fast, cost-effective, and reliable method for the high-throughput characterization of technical lignins, utilizing infrared (IR) spectroscopy combined with multivariate calibration models to predict key structural properties. By leveraging a comprehensive database of over 500 well-characterized lignin samples, covering the major types of technical lignins, we achieve high accuracy (RMSEPs of 4–16%) in quantifiying functional groups (OMe, Arom-OH, Total-OH, Aliph-OH, Ratio-OH, 4-O-5’/S-OH, G-OH, Carboxyl) as well as the essential molar mass parameter Mn. This technique offers significant advantages, including drastically reduced analysis time, lower resource consumption, minimal sample requirements, and non-destructive measurements, making it ideal for high-throughput industrial applications. Additionally, we provide a critical evaluation of the method’s strengths, limitations, and analytical challenges, ensuring transparency and reliability in lignin characterization.

References

Sumerskii, I., Böhmdorfer, S., Tsetsgee, O., Sulaeva, I., Khaliliyan, H., Musl, O., Dorninger, K., Tischer, A., Potthast, K., Rosenau, T., Brereton, R.G., Potthast, A. (2024).
Tapping the Full Potential of Infrared Spectroscopy for the Analysis of Technical Lignins.
ChemSusChem, 17(10), e202301840. doi: 10.1002/cssc.202301840

Billich, E., Sumerskii, I., Sulaeva, I., Musl, O., Kohlhuber, N., Tsetsgee, O., Böhmdorfer, S., Rosenau, T.,  Potthast, A. (2024).
Enhancing Molar Mass Distributions of Lignosulfonates with Chemometry-Assisted Functional Group Profiling.
ACS Sustainable Chemistry & Engineering, 12(37), 14038–14047. doi: 10.1021/acssuschemeng.4c05074