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Updated: Aug 16, 2026

Lipidico Injection Protocol for Serial Crystallography Measurements at the Australian Synchrotron
Published on: September 23, 2020
Partial least square analysis of lysozyme near-infrared spectra
S Y Hu1, A Lillquist, M A Arnold
1Department of Chemistry University of Iowa, Iowa City 52242, USA.
Abstract:
Proteins possess strong absorption features in the combination range (5000-4000 cm(-1)) of the near infrared (NIR) spectrum. These features can be used for quantitative analysis. Partial least squares (PLS) regression was used to analyze NIR spectra of lysozyme with the leave-one-out, full cross-validation method. A strategy for spectral range optimization with cross-validation PLS calibration was presented. A five-factor PLS model based on the spectral range between 4720 and 4540 cm(-1) provided the best calibration model for lysozyme in aqueous solutions. For 47 samples ranging from 0.01 to 10 mg/mL, the root mean square error of prediction was 0.076 mg/mL. This result was compared with values reported in the literature for protein measurements by NIR absorption spectroscopy in human serum and animal cell culture supernatants.
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