title: Partial least squares regression and fourier transform infrared (FTIR) microspectroscopy for prediction of resistance in hepatocellular carcinoma HepG2 cells.
abstract: We evaluated the feasibility of FTIR microspectroscopy combined with partial least squares regression (PLS-R) for determination of resistance in HepG2 cells. Cell viability testing was performed using neutral red assay for the concentration of cisplatin resulting in 50% antiproliferation (IC50). The resistance index (RI) is the ratio of the IC50in resistant HepG2 cells vs. parental HepG2 cells. Principal component and unsupervised hierarchical cluster analyses were applied and a differentiation of samples of cells (parental, 1.8RI, 2.3RI, 3.0RI, and 3.5RI) was demonstrated (3000-2800cm-1in the lipid and 1700-1500cm-1in the protein regions. The FTIR spectra were preprocessed with several treatments to test the algorithm. PLS-R models were built using the 1170 spectra of the HepG2 cells. Cross-validation was used to evaluate prediction of the RI value using this model. PLS-R models-preprocessed with the second derivative FTIR spectra-yielded the best model (R2=0.99, RMSEE=0.095 and RPD=7.98). Most RI values were predicted with high accuracy (91-100%) such that the linear correlation between the actual and predicted RI values was nearly perfect (slope~1). FTIR microspectroscopy combined with chemometric analysis using PLS-R offers quick, accurate, and reliable quantitative analysis of HepG2 cell resistance.
authors.affiliation: Biomedical Sciences Program, Graduate School, Khon Kaen University, Khon Kaen 40002, Thailand. Electronic address: cholpajsorn_j@hotmail.com.
authors.forename: Cholpajsorn
authors.initials: C
authors.lastname: Junhom
authors.affiliation: Faculty of Pharmaceutical Sciences, Khon Kaen University, Khon Kaen 40002, Thailand. Electronic address: natthida@kku.ac.th.
authors.forename: Natthida
authors.initials: N
authors.lastname: Weerapreeyakul
authors.affiliation: Synchrotron Light Research Institute (Public Organization), Nakhon Ratchasima 30000, Thailand. Electronic address: waraporn@slri.or.th.
authors.forename: Waraporn
authors.initials: W
authors.lastname: Tanthanuch
authors.affiliation: Synchrotron Light Research Institute (Public Organization), Nakhon Ratchasima 30000, Thailand. Electronic address: kanjanat@slri.or.th.
authors.forename: Kanjana
authors.initials: K
authors.lastname: Thumanu
mesh_terms: D000970:Antineoplastic Agents / Q000633:toxicity; D002945:Cisplatin / Q000633:toxicity; D019008:Drug Resistance, Neoplasm; D056945:Hep G2 Cells; D022781:Hepatocytes / Q000187:drug effects*; D006801:Humans; D008962:Models, Theoretical; D017550:Spectroscopy, Fourier Transform Infrared
chemical_list: D000970:Antineoplastic Agents; D002945:Cisplatin
keywords: Cancer; Chemometric analysis; FTIR microspectroscopy; Multivariate analysis; Partial least squares; Resistance