Ivana Zeković

Fluorescence spectroscopy coupled with PARAFAC and PLS DA for characterization and classification of honey

Fluorescence spectroscopy coupled with parallel factor analysis (PARAFAC) and Partial least squares Discriminant Analysis (PLS DA) were used for characterization and classification of honey. Excitation emission spectra were obtained for 95 honey samples of different botanical origin (acacia, sunflower, linden, meadow, and fake honey) by recording emission from 270 to 640 nm with excitation in the range of 240-500 nm. The number of fluorophores present in honey, excitation and emission spectra of each fluorophore, and their relative concentration are determined using a six-component PARAFAC model. Emissions from phenolic compounds and Maillard reaction products exhibited the largest difference among classes of honey of different botanical origin. The PLS DA classification model, constructed from PARAFAC model scores, detected fake honey samples with 100% sensitivity and specificity. Honey samples were also classified using PLS DA with errors of 0.5% for linden, 10% for acacia, and about 20% for both sunflower and meadow mix.

Effects of a low-shrinkage methacrylate monomer and monoacylphosphine oxide photoinitiator on curing efficiency and mechanical properties of experimental resin-based composites.

This study investigated the degree of conversion, depth of cure, Vickers hardness, flexural strength, flexural modulus and volumetric shrinkage of experimental composite containing a low shrinkage monomer FIT-852 (FIT; Esstech Inc.) and photoinitiator 2,4,6-trimethylbenzoyldiphenylphosphine oxide (TPO; Sigma Aldrich) compared to conventional composite containing Bisphenol A-glycidyl methacrylate (BisGMA) and camphorquinone-amine photoinitiator system. The degree of conversion was generally higher in FIT-based composites (45-64% range) than in BisGMA-based composites (34-58% range). Vickers hardness, flexural strength and modulus were higher in BisGMA-based composites. A polywave light-curing unit was generally more efficient in terms of conversion and hardness of experimental composites than a monowave unit. FIT-based composite containing TPO showed the depth of cure below 2mm irrespective of the curing light. The depth of cure of FIT-based composite containing CQ and BisGMA-based composites with either photoinitiator was in the range of 2.8-3.0mm. Volumetric shrinkage of FIT-based composite (0.9-5.7% range) was lower than that of BisGMA-based composite (2.2-12% range). FIT may be used as a shrinkage reducing monomer compatible with the conventional CQ-amine system as well as the alternative TPO photoinitiator. However, the depth of cure of FIT_TPO composite requires boosting to achieve clinically recommended thickness of 2mm.

Authentication of the botanical origin of unifloral honey by infrared spectroscopy coupled with support vector machine algorithm

In recent years, the potential of Fourier-transform infrared spectroscopy coupled with different chemometric tools in food analysis has been established. This technique is rapid, low cost, and reliable and requires little sample preparation. In this work, 130 Serbian unifloral honey samples (linden, acacia, and sunflower types) were analyzed using attenuated total reflectance infrared spectroscopy (ATR-IR). For each spectrum, 64 scans were recorded in wavenumbers between 4000 and 500 cm−1 and at a spectral resolution of 4 cm−1. These spectra were analyzed using principal component analysis (PCA), and calculated principal components were then used for support vector machine (SVM) training. In this way, the pattern-recognition tool is obtained for building a classification model for determining the botanical origin of honey. The PCA was used to analyze results and to see if the separation between groups of different types of honeys exists. Using the SVM, the classification model was built and classification errors were acquired. It has been observed that this technique is adequate for determining the botanical origin of honey with a success rate of 98.6%. Based on these results, it can be concluded that this technique offers many possibilities for future rapid qualitative analysis of honey.

Discrimination Among Melanoma, Nevi, and Normal Skin by Using Synchronous Luminescence Spectroscopy

Novel optical spectroscopy and imaging methods may be valuable in the early detection of cancer. This paper reports differences in the luminescence responses of pigmented skin lesions (melanomas and nevi) and apparently normal non-pigmented human skin, based on analyses of synchronous luminescence spectroscopy measurements. Measurements were performed in the excitation range of 330–545 nm, with synchronous intervals varying from 30– 120 nm. Normal skin, nevi, and melanomas differ in the way they fluoresce, and these differences are more distinct in the synchronous fluorescence spectra than in the conventional emission and excitation spectra. The differences in the fluorescence characteristics of pigmented and normal skin samples were ascribed to differences in concentrations of endogenous fluorophores and chromophores. Principal component and linear discriminant analysis of the synchronous spectra measured at different synchronous intervals showed that the greatest variance among the sample groups was at the 70 nm interval spectra. These spectra were then used to create partial least squares discriminant analysis-based classification models. Evaluation of the quality of these models from the receiver operating characteristic curves showed they performed well, with a maximum value of 1 for the area under the curve for melanoma detection. Hence, synchronous luminescence spectroscopy coupled with statistical methods may be advantageous in the early detection of skin cancer.

Characterization of cereal flours by fluorescence spectroscopy coupled with PARAFAC

This paper presents parallel factor analysis (PARAFAC) of fluorescence of cereal flours. Excitation-emission matrices (EEMs) of different cereal flours (wheat, corn, rye, rice, oat, spelt, barley and buckwheat) were measured in a front-face configuration over the ultraviolet-visible spectral range. EEMs showed that flours strongly fluoresce in two spectral regions, where amino acids, tocopherols, pyridoxine and 4-aminobenzoic acid show intense emissions. 4-component PARAFAC was used to model flour fluorescence and to decompose EEMs into excitation and emission spectra of each component. PARAFAC also provided relative concentrations of these components. The largest differences between flours were found in the concentration levels of the first and third component. Finally, variations in concentrations of PARAFAC modelled components were analysed in relation to the botanical origin of flour samples.

Artificial neural networks for processing fluorescence spectroscopy data in skin cancer diagnostics

Over the years various optical spectroscopic techniques have been widely used as diagnostic tools in the discrimination of many types of malignant diseases. Recently, synchronous fluorescent spectroscopy (SFS) coupled with chemometrics has been applied in cancer diagnostics. The SFS method involves simultaneous scanning of both emission and excitation wavelengths while keeping the interval of wavelengths (constant-wavelength mode) or frequencies (constant-energy mode) between them constant. This method is fast, relatively inexpensive, sensitive and non-invasive. Total synchronous fluorescence spectra of normal skin, nevus and melanoma samples were used as input for training of artificial neural networks. Two different types of artificial neural networks were trained, the self-organizing map and the feed-forward neural network. Histopathology results of investigated skin samples were used as the gold standard for network output. Based on the obtained classification success rate of neural networks, we concluded that both networks provided high sensitivity with classification errors between 2 and 4%.

Changes of Color and Fluorescence of Resin Composites Immersed in Beer

OBJECTIVE The aim of this study was to evaluate changes of color and fluorescence of resin based composite exposed to beer. MATERIALS AND METHODS 84 samples (13 mm in diameter and 1.5 mm thick) of microhybrid composite Gradia DirectTM extra bleach white were immersed in 5 different beers (dark and light) or distilled water. Color and fluorescence were measured prior and after 1-, 7-, and 14-day immersion by Spectrophotometer Thermo Evolution 600 and Fluorolog-3-221 spectrofluorometer. RESULTS Resin based composites changed color after immersion in beers of different types. Beers with higher optical absorption induced greater color changes. The fluorescence intensity of composites was decreased after immersion in beer, but the shape of fluorescence spectra was not changed. 14-day immersion in Bernard dark beer caused the greatest changes in optical properties of composite: ΔE*=9.0 and 57.6% reduced fluorescence. CONCLUSION Dark and light beers changed optical properties of resin based composite. The color change come exclusively from the change of chroma. CLINICAL SIGNIFICANCE To fully meet esthetic criteria when using dental materials in restoration it is crucial to match optical properties of teeth and dental restoration at the moment of placement, but also to keep the match over the time. Considering that staining in beer causes changes in color and fluorescence of composites and that discoloration is a frequent reason for replacement of composite restorations, the data and conclusions on discoloration of dental restorations caused by beer consumption should aid dental professionals when reaching for high esthetics of modern dentistry.(J Esthet Restor Dent 28:330-338, 2016).

Properties of Vulcanized Polyisoprene Rubber Composites Filled with Opalized White Tuff and Precipitated Silica

Opalized white tuff (OWT) with 40 μm average particle size and 39.3 m2/g specific surface area has been introduced into polyisoprene rubber (NR). Their reinforcing effects were evaluated by comparisons with those from precipitated silica (PSi). The cure characteristic, apparent activation energy of cross-link (E ac) and reversion (E ar), and mechanical properties of a variety of composites based on these rubbers were studied. This was done using vulcanization techniques, mechanical testing, and scanning electron microscopy (SEM). The results showed that OWT can greatly improve the vulcanizing process by shortening the time of optimum cure (t c90) and the scorch time (t s2) of cross-linked rubber composites, which improves production efficiency and operational security. The rubber composites filled with 50 phr of OWT were found to have good mechanical and elastomeric properties. The tensile strengths of the NR/OWT composites are close to those of NR/PSi composites, but the tear strength and modulus are not as good as the corresponding properties of those containing precipitated silica. Morphology results revealed that the OWT is poorly dispersed in the rubber matrix. According to that, the lower interactions between OWT and polyisoprene rubber macromolecules are obtained, but similar mechanical properties of NR/OWT (100/50) rubber composites compared with NR/PSi (100/50) rubber composites are resulted.

Biophysical characterization of human breast tissues by photoluminescence excitation-emission spectroscopy

Abstract Fluorescence excitation-emission spectroscopy was used to investigate specimens of normal and malignant human breast tissues. Measurements were performed in two spectral regions: in the excitation range from 335nm to 400nm and emission range from 430nm to 625 nm, and in the excitation range from 400nm to 470nm and emission range from 500nm to 640 nm. It was found that fluorescence spectra are composed mainly of the emissions of extracellular proteins and that the differences in the intensity of their emissions reveal the changes in the tissue structure and morphology. These differences could be best observed in the emission spectra excited with 370 nm, 425nm and 455nm radiation. Statistical analysis revealed several spectral subregions that exhibited extremely significant statistical difference between normal and malignant breast tissues. The origin of these differences was elaborated, and prospects for optical diagnostics of breast cancer was discussed.

Nanosilica and wood flour-modified urea–formaldehyde composites

In this study, the thermal behavior of modified urea–formaldehyde (UF) resin with nanosilica (nano-SiO2), wood flour (WF), and their mixture of SiO2/WF was investigated. Five modified UF hybrid composite materials with 0.8 F/U ratio with different filler were synthesized using the same procedure. The thermal behavior of materials was studied using nonisothermal thermogravimetric analysis, differential thermal gravimetry (DTG), and differential thermal analysis and supported by data from infrared spectroscopy. The shift of DTG peaks to a high temperature indicates the increase in thermal stability of modified UF resin with hybrid SiO2/WF fillers, which is confirmed by the data obtained from the Fourier transform infrared spectroscopic study. It was estimated that the UF/WF samples based on nano-SiO2 have better thermal stability.