Detection of serum alterations in polysubstance use patients by FT-Raman spectroscopy

• Published in: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Vol. 326; p. 125234
• Main Authors: Ünübol, Başak, Sarıbal, Devrim, Ceylan, Zeynep, Mırsal, Hasan, Depciuch, Joanna, Cebulski, Joseph, Guleken, Zozan
• Format: Journal Article
• Language: English
• Published: England Elsevier B.V 05.02.2025
• Subjects: Bio macromolecule changes; FT-Raman Spectroscopy; Partial Least Square Discriminate Analysis (PLS-DA); Polysubstance use; Principal Component Analysis (PCA); ROC analysis; FT-Raman Spectroscopy; Polysubstance use; Principal Component Analysis (PCA); Partial Least Square Discriminate Analysis (PLS-DA); Bio macromolecule changes; ROC analysis
• ISSN: 1386-1425; 1873-3557
• DOI: 10.1016/j.saa.2024.125234

[Display omitted] •Raman spectroscopy reveals polysubstance abuse effects.•Polysubstance use groups showed peak shifts in polysaccharides, amides, and lipid vibrations.•Substance use groups showed increased lipid vibrations, unlike control subjects, who dominated in amide fractions.•ROC analysis showed AUC values of 1.00 in both sets, confirming the model's robustness. Substance use disorders pose significant health risks and treatment challenges due to the diverse interactions between substances and their impact on physical and mental health. The chemical effects of multiple substance use on bodily fluids are not yet fully understood. Therefore, this study aimed to investigate the chemical changes induced by a combination of substances compared to a control group. Analysis of FT-Raman spectra revealed structural alterations in the amide III, I, and C = O functional groups of lipids in subjects treated with opioids, alcohol and cannabis (polysubstance group). These changes were evident in the form of peak shifts compared to the control group. Additionally, an imbalance in the amide-lipid ratio was observed, indicating perturbations in serum protein and lipid levels. Furthermore, a 2D plot of two-track two-dimensional correlation spectra (2T2D-COS) demonstrated a shift towards dominance of lipid vibrations in the polysubstance use groups, contrasting with the predominance of the amide fraction in the control group. This observation suggests distinct molecular changes induced by multiple substance use, potentially contributing to the pathophysiology of substance use disorders. Principal Component Analysis (PCA) was utilized to visualize the data structure and identify outliers. Subsequently, Partial Least Squares Discriminant Analysis (PLS-DA) was employed to classify the polysubstance use and control groups. The PLS-DA model demonstrated high classification accuracy, achieving 100.00 % in the training dataset and 94.74 % in the test dataset. Furthermore, receiver operating characteristic (ROC) analysis yielded perfect AUC values of 1.00 for both the training and test sets, underscoring the robustness of the classification model. This study highlights the quantitative and qualitative changes in serum protein and lipid levels induced by polysubstance use groups, as evidenced by FT-Raman spectroscopy. The findings underscore the importance of understanding the chemical effects of polysubstance use on bodily fluids for improved diagnosis and treatment of substance use disorders. Moreover, the successful classification of spectral data using machine learning techniques emphasizes the potential of these approaches in clinical applications for substance abuse monitoring and management.