Vibrational spectroscopy (mid-infrared (IR) and Raman) and its fingerprinting capabilities offer rapid, high-throughput, and non-destructive analysis of a wide range of sample types producing a characteristic chemical “fingerprint” with a unique signature profile. Nuclear magnetic resonance (NMR) spectroscopy and an array of mass spectrometry (MS) techniques provide selectivity and specificity for screening metabolites, but demand costly instrumentation, complex sample pretreatment, are labor-intensive, require well-trained technicians to operate the instrumentation, and are less amenable for implementation in clinics. The potential for vibration spectroscopy techniques to be brought to the bedside gives hope for huge cost savings and potential revolutionary advances in diagnostics in the clinic. We discuss the utilization of current vibrational spectroscopy methodologies on biologic samples as an avenue towards rapid cost saving diagnostics.

Portable spectrometers are promising tools that can be an alternative way, for various purposes, of analyzing food quality, such as monitoring in a few seconds the internal quality during fruit ripening in the field. A portable/handheld (palm-sized) near-infrared (NIR) spectrometer (Neospectra, Si-ware) with spectral range of 1295–2611 nm, equipped with a micro-electro-mechanical system (MEMs), was used to develop prediction models to evaluate tomato quality attributes non-destructively. Soluble solid content (SSC), fructose, glucose, titratable acidity (TA), ascorbic, and citric acid contents of different types of fresh tomatoes were analyzed with standard methods, and those values were correlated to spectral data by partial least squares regression (PLSR). Fresh tomato samples were obtained in 2018 and 2019 crops in commercial production, and four fruit types were evaluated: Roma, round, grape, and cherry tomatoes. The large variation in tomato types and having the fruits from distinct years resulted in a wide range in quality parameters enabling robust PLSR models. Results showed accurate prediction and good correlation (R_pred) for SSC = 0.87, glucose = 0.83, fructose = 0.87, ascorbic acid = 0.81, and citric acid = 0.86. Our results support the assertion that a handheld NIR spectrometer has a high potential to simultaneously determine several quality attributes of different types of tomatoes in a practical and fast way.

Near (NIR) and mid (MIR) infrared spectroscopies have been studied as potential methods for non-destructive analyses of the fresh fruits quality. In this study, vitamin C, citric acid, total and reducing sugar content in ‘Valência’ oranges were evaluated using NIR and MIR spectroscopy with multivariate analysis. The spectral data were used to build up prediction models based on PLS (Partial Least Squares) regression. For vitamin C and citric acid, both NIR (r = 0.72 and 0.77, respectively) and MIR (0.81 and 0.91, respectively) resulted in feasible models. For sugars determination the two techniques presented a strong correlation between the reference values and analytical signals, with low RMSEP and r > 0.70 (NIR: sucrose RMSEP = 12.2 and r = 0.75; glucose RMSEP = 6.77 and r = 0.82; fructose RMSEP = 5.07 and r = 0.81; total sugar RMSEP = 12.1 and r = 0.80; reducing sugar RMSEP = 20.32 and r = 0.82; MIR: sucrose RMSEP = 9.47 and r = 0.80; glucose RMSEP = 6.70 and r = 0.82; fructose RMSEP = 5.20 and r = 0.81; total sugar RMSEP = 11.72 and r = 0.81; reducing sugar RMSEP = 20.42 and r = 0.81). The models developed with MIR presented lower prediction error rates than those made with NIR. Therefore, infrared techniques show applicability to determine of orange quality parameters in a non-destructive way.

The aim of this study is to develop a non-targeted approach for the authentication of extra virgin olive oil (EVOO) using vibrational spectroscopy signatures combined with pattern recognition analysis. Olive oil samples (n = 151) were grouped as EVOO, virgin olive oil (VOO)/olive oil (OO), and EVOO adulterated with vegetable oils. Spectral data was collected using a compact benchtop Raman (1064 nm) and a portable ATR-IR (5-reflections) units. Oils were characterized by their fatty acid profile, free fatty acids (FFA), peroxide value (PV), pyropheophytins (PPP), and total polar compounds (TPC) through the official methods. The soft independent model of class analogy analysis using ATR-IR spectra showed excellent sensitivity (100%) and specificity (89%) for detection of EVOO. Both techniques identified EVOO adulteration with vegetable oils, but Raman showed limited resolution detecting VOO/OO tampering. Partial least squares regression models showed excellent correlation (Rval ≥ 0.92) with reference tests and standard errors of prediction that would allow for quality control applications.

This study aims to predict several quality traits in commercial honey samples simultaneously and to reveal possible honey adulteration using a field-deployable portable infrared spectrometer without any sample preparation. A total of one hundred and forty-seven commercial honey samples were purchased from local and online markets in Turkey and the United States of America (USA), and their soluble solids (°Brix), pH, free acidity, moisture, water activity (aw), glucose, fructose, sucrose, and hydroxymethyl furfural (HMF) contents were determined using reference methods. The HMF (n = 11 samples) and sucrose (n = 21) concentrations were higher than the regulatory limits in some tested samples. The exceeding HMF content may imply temperature abuse during storage and prolonged storing. On the other hand, high sucrose content may indicate possible adulteration with commercial sweeteners. Therefore, soft independent modeling of class analogies (SIMCA) analysis was conducted to reveal this potential sweetener adulteration in the samples, and the SIMCA model was able to identify all the flagged samples. The suggested FT-IR technique may be helpful in regulatory bodies in determining honey authenticity issues as well as assessing the quality characteristics of honey samples in a shorter period and at a lower cost.