Chemometric Analysis of UV-Visible Spectral Fingerprints for the Discrimination and Quantification of Clinical Anthracycline Drug Preparation Used in Oncology

Abstract

In clinical treatment, the analytical quality assessment of the delivery of chemotherapeutic preparations is required to guarantee the patient’s safety regarding the dose and most importantly the appropriate anticancer drug. On its own, the development of rapid analytical methods allowing both qualitative and quantitative control of the formulation of prepared solutions could significantly enhance the hospital’s workflow, reducing costs, and potentially providing optimal patient care. UV-visible spectroscopy is a nondestructive, fast, and economical technique for molecular characterization of samples. A discrimination and quantification study of three chemotherapeutic drugs doxorubicin, daunorubicin, and epirubicin was conducted, using clinically relevant concentration ranges prepared in 0.9% NaCl solutions. The application of the partial least square discriminant analysis PLS-DA method on the UV-visible spectral data shows a perfect discrimination of the three drugs with a sensitivity and specificity of 100%. The use of partial least square regression PLS shows high quantification performance of these molecules in solution represented by the low value of root mean square error of calibration (RMSEC) and root mean square error of cross validation (RMSCECV) on the one hand and the high value of R -square on the other hand. This study demonstrated the viability of UV-visible fingerprinting (routine approach) coupled with chemometric tools for the classification and quantification of chemotherapeutic drugs during clinical preparation.

Metabolite Profile and Antibacterial Potential of Leaf And Stem Extract Castanopsis tungurrut (Blume) A.DC. against Escherichia coli and Staphylococcus aureus

“…The chromatogram is analyzed by the chemometric method. A commonly used chemometric method is Principal Component Analysis (PCA) [17]. The results of the analysis using the PCA method showed a grouping of data on the content of secondary metabolite compounds found in leaf samples and C. tungurrut stem is based on solvents in the form of ethyl acetate, ethanol and aquadest.…”

A conventional and chemometric analytical approach to solving urea determination with accuracy and precision

“…Alternative methods, coupled with chemometrics, have gained attention lately. 27,28 The mathematical and statistical approaches that constitute chemometrics 29,30 allow the identication and differentiation of complex mixtures like soil samples, 31 enantiomers, 28 human saliva, 32 and compounds extracted from plants, 33,34 for example.…”

Impedimetric DNA Sensors for Epirubicin Detection Based on Polythionine Films Electropolymerized from Deep Eutectic Solvent

“…Currently, epirubicin is determined by various physicochemical methods, e.g., spectrofluorometry [17], UV-vis spectroscopy [18], high-performance liquid chromatography (HPLC) with UV [19], fluorometric [20], photodiode array [21], and mass-spectroscopy [22] detectors and electrochemical sensors [23][24][25][26][27][28]. Being sensitive, selective, and universal, chromatography-based approaches require sophisticated equipment and high qualifications of the labor staff and are mostly intended for use in a well-equipped chemical laboratory.…”