[Simultaneous quantitative determination of multicomponents in tablets based on terahertz time-domain spectroscopy]

Area of Science:

• Spectroscopy
• Analytical Chemistry
• Pharmaceutical Sciences

Context:

• Accurate quantification of active pharmaceutical ingredients (APIs) and excipients in multicomponent mixtures is crucial for pharmaceutical quality control.
• Traditional analytical methods may be destructive or lack the specificity required for complex formulations.
• Terahertz time-domain spectroscopy (THz-TDS) offers a non-destructive approach for analyzing solid pharmaceutical dosage forms.

Purpose:

• To investigate the feasibility of using THz-TDS combined with chemometric modeling for the simultaneous quantitative analysis of APIs and excipients in multicomponent pharmaceutical mixtures.
• To compare the performance of principal component regression (PCR) and partial least squares (PLS) regression for predicting concentrations.
• To evaluate the accuracy and validation of the developed models.

Summary:

• Terahertz time-domain spectroscopy (THz-TDS) was employed to measure the spectra of ternary and quaternary pharmaceutical mixtures containing common APIs and excipients.
• Chemometric methods, specifically principal component regression (PCR) and partial least squares (PLS) regression, were utilized to correlate spectral data with component concentrations.
• The PLS method demonstrated superior performance, achieving high correlation coefficients (Rcal and Rval > 0.98 for ternary mixtures; > 0.93 for quaternary mixtures) for simultaneous API and excipient quantification.
• Results confirm the non-destructive quantitative analysis capability of THz-TDS combined with chemometrics for multicomponent pharmaceutical systems.

Impact:

• Demonstrates the potential of THz-TDS as a powerful, non-destructive analytical tool for the pharmaceutical industry.
• Provides a viable alternative to conventional methods for quality control and formulation analysis.
• Highlights the effectiveness of chemometric modeling in extracting quantitative information from complex spectral data.
• Suggests broad applicability in pharmaceutical analysis and other fields requiring the analysis of multicomponent materials.