Tutorial: multivariate classification for vibrational spectroscopy in biological samples

CLM Morais, KMG Lima, M Singh, FL Martin - Nature Protocols, 2020 - nature.com
Vibrational spectroscopy techniques, such as Fourier-transform infrared (FTIR) and Raman
spectroscopy, have been successful methods for studying the interaction of light with …

On the utilization of principal component analysis in laser-induced breakdown spectroscopy data analysis, a review

P Pořízka, J Klus, E Képeš, D Prochazka… - … Acta Part B: Atomic …, 2018 - Elsevier
An implementation of a fast, robust, and effective algorithm is inevitable in modern
multivariate data analysis (MVDA). The principal component analysis (PCA) algorithm is …

Characterization and identification of microplastics using Raman spectroscopy coupled with multivariate analysis

N Jin, Y Song, R Ma, J Li, G Li, D Zhang - Analytica Chimica Acta, 2022 - Elsevier
The manufacture and use of plastic products have resulted in the release and spread of a
massive amount of microplastics. Identifying and quantifying microplastics is challenging …

Distinguishing cell types or populations based on the computational analysis of their infrared spectra

FL Martin, JG Kelly, V Llabjani, PL Martin-Hirsch… - Nature protocols, 2010 - nature.com
Infrared (IR) spectroscopy of intact cells results in a fingerprint of their biochemistry in the
form of an IR spectrum; this has given rise to the new field of biospectroscopy. This protocol …

Standardization of complex biologically derived spectrochemical datasets

CLM Morais, M Paraskevaidi, L Cui, NJ Fullwood… - Nature protocols, 2019 - nature.com
Spectroscopic techniques such as Fourier-transform infrared (FTIR) spectroscopy are used
to study interactions of light with biological materials. This interaction forms the basis of …

Extracting biological information with computational analysis of Fourier-transform infrared (FTIR) biospectroscopy datasets: current practices to future perspectives

J Trevisan, PP Angelov, PL Carmichael, AD Scott… - Analyst, 2012 - pubs.rsc.org
Applying Fourier-transform infrared (FTIR) spectroscopy (or related technologies such as
Raman spectroscopy) to biological questions (defined as biospectroscopy) is relatively …

Understanding the molecular information contained in principal component analysis of vibrational spectra of biological systems

F Bonnier, HJ Byrne - Analyst, 2012 - pubs.rsc.org
K-means clustering followed by Principal Component Analysis (PCA) is employed to
analyse Raman spectroscopic maps of single biological cells. K-means clustering …

Vibration spectroscopy and body biofluids: Literature review for clinical applications

LB Leal, MS Nogueira, RA Canevari… - … and photodynamic therapy, 2018 - Elsevier
Vibrational spectroscopy techniques such as Raman and IR (infrared) allow real-time, non-
invasive and non-destructive analysis of organic compounds with a good limit-of-detection …

Biospectroscopy to metabolically profile biomolecular structure: a multistage approach linking computational analysis with biomarkers

JG Kelly, J Trevisan, AD Scott… - Journal of proteome …, 2011 - ACS Publications
Biospectroscopy is employed to derive absorbance spectra representative of biomolecules
present in biological samples. The mid-infrared region (λ= 2.5 μm− 25 μm) is absorbed to …

Identification of cumin and fennel from different regions based on generative adversarial networks and near infrared spectroscopy

B Yang, C Chen, F Chen, C Chen, J Tang… - … Acta Part A: Molecular …, 2021 - Elsevier
Cumin (Cuminum cyminum) and fennel (Foeniculum vulgare) are widely used seasonings
and play a very important role in industries such as breeding, cosmetics, winemaking, drug …