Discriminating the salivary profile of athletes using ATR-FTIR spectroscopy and chemometrics

Chrimatopoulos, Christoforos; Pavlou, Eleftherios; Kourkoumelis, Nikolaos; Sakkas, Vasilios A.

doi:10.1016/j.chemolab.2022.104660

Cited by 4 publications

(2 citation statements)

References 28 publications

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“…Following a previously reported methodology [11], Spectrum Two FT-IR Spectrometer adjusted with UATR Two Accessory (ATR-FTIR) (Perkin Elmer, Waltham, MA, USA) and Spectrum 10 Spectroscopy Software v. 10.5.4 (Perkin Elmer, Waltham, MA, USA) were utilized to obtain infrared spectra in the range of 4000 to 450 cm −1 , at a resolution of 4 cm −1 , and 32 scans at room temperature. Spectra were baseline corrected, and multiplicative scatter correction (MSC) was applied using the Spectragryph licensed application software version 1.2.15 (Dr. Friedrich Menges Software-Entwicklung, Germany).…”

Section: Atr-ftir Measures Coupled With Chemometricsmentioning

confidence: 99%

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Configuration of a Simple Method for Different Polyamides 6.9 Recognition by ATR-FTIR Analysis Coupled with Chemometrics

Tummino

Chrimatopoulos

Bertolla³

et al. 2023

Polymers

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This study proposes a simple approach for the recognition of polyamide 6.9 samples differing in impurity amounts and viscosities (modulated during the synthesis), which are parameters plausibly variable in polymers’ manufacturing processes. Infrared spectroscopy (ATR-FTIR) was combined with chemometrics, applying statistical methods to experimental data. Both non-supervised and supervised methods have been used (PCA and PLS-DA), and a predictive model that could assess the polyamide type of unknown samples was created. Chemometric tools led to a satisfying degree of discrimination among samples, and the predictive model resulted in a great classification of unknown samples with an accuracy of 88.89%. Traditional physical-chemical characterizations (such as thermal and mechanical tests) showed their limits in the univocal identification of sample types, and additionally, they resulted in time-consuming procedures and specimen destruction. The spectral modifications have been investigated to understand the main signals that are more likely to affect the discrimination process. The proposed hybrid methodology represents a potential support for quality control activities within the production sector, especially when the spectra of compounds with the same nominal composition show almost identical signals.

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Section: Atr-ftir Measures Coupled With Chemometricsmentioning

confidence: 99%

“…without pre-treatment [7,8]. Much work has been published where this technique has been successfully employed along with chemometrics and multivariate statistical analyses, which give a significant and better interpretation of results [9][10][11][12].…”

Section: Introductionmentioning

confidence: 99%

Configuration of a Simple Method for Different Polyamides 6.9 Recognition by ATR-FTIR Analysis Coupled with Chemometrics

Tummino

Chrimatopoulos

Bertolla³

et al. 2023

Polymers

Self Cite

View full text Add to dashboard Cite

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Fourier Transform Infrared (FTIR) Spectroscopy as a Tool to Characterize Exercise and Physical Activity: A Systematic Review

Valente,

Mota,

Teixeira

et al. 2024

Sports Med

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Background Over the past few decades, the scientific community has recognized the impact of physical activity on health and performance. In parallel, researchers have been actively exploring novel methodologies to analyze the physiological and metabolic responses to exercise. Fourier transform infrared spectroscopy has emerged as a powerful tool in this effort, offering the potential to provide unique insights into exercise-related changes at the molecular level. Objective The primary goal of this systematic review is to confirm the viability of utilizing Fourier transform infrared spectroscopy for the analysis of the biochemical changes associated with physical exercise and its potential applications. Methods This systematic review adhered to PRISMA (Preferred Reporting Items for Systematic Reviews and Meta-Analyses) guidelines and examined studies employing Fourier transform infrared spectroscopy to analyze exercise and physical activity, focusing on a biological sample collection and spectral analysis. Four databases (PubMed, SPORTDiscus, Web of Science, and Scopus) were searched, and inclusion criteria encompassed original English-language studies involving human participants aged 18–50 years, a biological sample collection (urine, saliva, and blood), and the use of Fourier transform infrared spectroscopy. The studies were analyzed considering the type of exercise or sport that was investigated, and also the type of spectral analysis conducted. Results The review encompassed 15 studies that demonstrated the versatility of Fourier transform infrared spectroscopy in assessing various aspects of exercise, including metabolism, cardiovascular responses, and muscular fatigue. The largest study evaluated 57 athletes from several different sports. On average, almost all the studies were performed with around 20 athletes. Notably, the technique’s holistic approach allows for a comprehensive analysis of the complex network of metabolites and proteins within the human body. Data analysis methodologies, particularly when coupled with machine learning, show great potential for advancing the field of sports science. Conclusions Fourier transform infrared spectroscopy emerges as a promising tool for monitoring and enhancing the performance of high-level athletes, preventing overtraining or even over-reaching, and assessing metabolism. Its accuracy, efficiency, and affordability also make it a candidate for broader applications in assessing the health and fitness of the general population. Future research should explore its applicability across diverse exercise modalities and demographic groups, aiming to prescribe exercise plans that consider a multitude of parameters for larger, more intricate exercise cohorts. Clinical Trial Registration The study protocol was registered in the International Prospective Register of Systematic Reviews (PROSPERO) under the ID number CRD42023441965. Graphical Abstract

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Investigating oral biofluid markers as a tool for the chemometric discrimination of different physical exercise intensities utilizing ATR-FTIR spectroscopy

Chrimatopoulos,

Sakkas

2023

Chemometrics and Intelligent Laboratory Systems

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Discriminating the salivary profile of athletes using ATR-FTIR spectroscopy and chemometrics

Cited by 4 publications

References 28 publications

Configuration of a Simple Method for Different Polyamides 6.9 Recognition by ATR-FTIR Analysis Coupled with Chemometrics

Configuration of a Simple Method for Different Polyamides 6.9 Recognition by ATR-FTIR Analysis Coupled with Chemometrics

Fourier Transform Infrared (FTIR) Spectroscopy as a Tool to Characterize Exercise and Physical Activity: A Systematic Review

Investigating oral biofluid markers as a tool for the chemometric discrimination of different physical exercise intensities utilizing ATR-FTIR spectroscopy

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