The relevance study of effective information between near infrared spectroscopy and chondroitin sulfate in ethanol precipitation process

Abstract

Near infrared spectroscopy (NIRS) is based on molecular overtone and combination vibrations. It is di±cult to assign speci¯c features under complicated system. So it is necessary to¯nd the relevance between NIRS and target compound. For this purpose, the chondroitin sulfate (CS) ethanol precipitation process was selected as the research model, and 90 samples of 5 di®erent batches were collected and the content of CS was determined by modi¯ed carbazole method. The relevance between NIRS and CS was studied throughout optical pathlength, pretreatment methods and variables selection methods. In conclusion, the¯rst derivative with Savitzky-Golay (SG) smoothing was selected as the best pretreatment, and the best spectral region was selected using interval partial least squares (iPLS) method under 1 mm optical cell. A multivariate calibration model was established using PLS algorithm for determining the content of CS, and the root mean square error of prediction (RMSEP) is 3.934 gÁL À1 . This method will have great potential in process analytical technology in the future.

Determination of chondroitin sulfate in tablets by Raman spectroscopy and near-infrared spectroscopy combined with chemometric methods

“…In order to characterize the prediction ability of a PLS model, the correlation coefficient of the calibration model (R c ) and the validation model (R p ), and the root mean square error of calibration (RMSEC) and of prediction (RMSEP) were used for estimation. 30 Fig. 5 shows the agreement between the predicted results obtained by the calibration model and the actual values of the percentage concentration of CS to be between 41% and 67%.…”

“…An important step in building a PLS model is the identication of outliers, since these have a strong inuence on the PLS calibration method. 30 Studentized residual and leverage methods are normally employed to detect and remove outliers. [31][32][33][34] Samples which have higher studentized residual or leverage, or which have obvious differences from others, are regarded as outliers.…”

Raman-based PAT for VLP precipitation: systematic data diversification and preprocessing pipeline identification

“…Despite the broad applicability of spectroscopic methods in biopharmaceutical processing, their application to precipitation processes is rather unexplored. While multiple studies have used near-infrared (NIR) spectroscopy for monitoring of acid (Sun et al, 2020) or alcohol precipitation (Li et al, 2014;Huang and Qu, 2018;Sun et al, 2018), Raman spectroscopy has only been used to track a precipitation polymerization reaction (Meyer-Kirschner et al, 2016) and monoclonal antibody precipitation (Lohmann and Strube, 2021). A major challenge when working with precipitatecontaining solutions is the turbidity of the media, which was reported to affect the overall signal intensity of Raman spectra (Van Brink et al, 2002;Sinfield and Monwuba, 2014;Meyer-Kirschner et al, 2016).…”

pH value monitoring during human albumin purification with near infrared spectroscopy and chemometrics

“…NIRS was widely used in many¯elds because of its advantages of fast, nondestructive and pollution-free, such as pharmaceuticals, 9,10 food, 11,12 agriculture, 13,14 clinic 15 and so on. NIRS has been used as an important process analytical technology (PAT) tool for critical process monitoring, 16,17 quality inspection of nal products. 18 Prieto et al 19 concluded that pH measurement was feasible for meat products with NIRS.…”