title: Application of mid-infrared chemical imaging and multivariate chemometrics analyses to characterise a population of microalgae cells.
abstract: A suite of multivariate chemometrics methods was applied to a mid-infrared imaging dataset of a eustigmatophyte, marine Nannochloropsis sp. microalgae strain. This includes the improved leader-follower cluster analysis (iLFCA) to interrogate spectra in an unsupervised fashion, a resonant Mie optical scatter correction algorithm (RMieS-EMSC) that improves data linearity, the band-target entropy minimization (BTEM) self-modeling curve resolution for recovering component spectra, and a multi-linear regression (MLR) for estimating relative concentrations and plotting chemical maps of component spectra. A novel Alpha-Stable probability calculation for microalgae cellular lipid-to-protein ratio Λi is introduced for estimating population characteristics.
authors.affiliation: Institute of Chemical and Engineering Sciences (ICES), Agency for Science, Technology and Research (A∗STAR), 1 Pesek Road, Jurong Island, Singapore 627833, Singapore.
authors.forename: Suat-Teng
authors.initials: ST
authors.lastname: Tan
authors.forename: Rajesh Kumar
authors.initials: RK
authors.lastname: Balasubramanian
authors.forename: Probir
authors.initials: P
authors.lastname: Das
authors.forename: Jeffrey Philip
authors.initials: JP
authors.lastname: Obbard
authors.forename: Wee
authors.initials: W
authors.lastname: Chew
mesh_terms: D000465:Algorithms; D016000:Cluster Analysis; D062126:Databases, Chemical; D019277:Entropy; D007259:Infrared Rays; D008055:Lipids / Q000032:analysis; D058086:Microalgae / Q000737:chemistry* / Q000166:cytology*; D015999:Multivariate Analysis; D011506:Proteins / Q000032:analysis; D012044:Regression Analysis; D012542:Scattering, Radiation; D012846:Singapore; D013024:Soybean Oil / Q000737:chemistry; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*
chemical_list: D008055:Lipids; D011506:Proteins; D013024:Soybean Oil