High wavenumber Raman spectroscopy in the characterization of urinary metabolites of normal subjects, oral premalignant and malignant patients

• Published in: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2017-01, Vol.171, p.52-59
• Main Authors: Brindha, Elumalai, Rajasekaran, Ramu, Aruna, Prakasarao, Koteeswaran, Dornadula, Ganesan, Singaravelu
• Format: Article
• Language: English
• Subjects: Flavins; High wavenumber Raman spectroscopy; Oral premalignant; PC-LDA; Phenylalanine; Tryptophan; Urine
• ISSN: 1386-1425
• DOI: 10.1016/j.saa.2016.06.048

Urine has emerged as one of the diagnostically potential bio fluids, as it has many metabolites. As the concentration and the physiochemical properties of the urinary metabolites may vary under pathological transformation, Raman spectroscopic characterization of urine has been exploited as a significant tool in identifying several diseased conditions, including cancers. In the present study, an attempt was made to study the high wavenumber (HWVN) Raman spectroscopic characterization of urine samples of normal subjects, oral premalignant and malignant patients. It is concluded that the urinary metabolites flavoproteins, tryptophan and phenylalanine are responsible for the observed spectral variations between the normal and abnormal groups. Principal component analysis-based linear discriminant analysis was carried out to verify the diagnostic potentiality of the present technique. The discriminant analysis performed across normal and oral premalignant subjects classifies 95.6% of the original and 94.9% of the cross-validated grouped cases correctly. In the second analysis performed across normal and oral malignant groups, the accuracy of the original and cross-validated grouped cases was 96.4% and 92.1% respectively. Similarly, the third analysis performed across three groups, normal, oral premalignant and malignant groups, classifies 93.3% and 91.2% of the original and cross-validated grouped cases correctly. [Display omitted] •Urine is considered as an important biofluid in diagnostic oncology as it has many metabolites•Raman spectroscopic characterization of normal and diseased urine were made in finding the suitable biomarkers•Flavoproteins, Tryptophan and Phenylalanine contributes more for the observed spectral variations