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A new equation for converting EC 50 into TEAC values and TEAC into EC 50 is presented in this paper. The model was fitted to 180 data points of electron paramagnetic resonance (EPR) spectroscopy measurements of various food products. The model was tested basing on 75 EPR spectroscopy measurements. Moreover, the equation was tested on literature data. The determination coefficient between EC 50cal and EC 50exp was found to be R 2  = 0.9762, while the determination coefficient between TEAC cal and TEAC exp was found to be R 2  = 0.9686. Based on obtained results it can be concluded that the proposed model for converting EC 50 into TEAC values and TEAC into EC 50 values works properly. This will enable a comparison of the antioxidant properties of products identified in literature through the use of different parameters (TEAC, EC 50 ). [ABSTRACT FROM AUTHOR]

The antioxidant properties of different types of tea—green, black and earl grey—were investigated using the EPR spectroscopy method based on a new semi-empirical mathematical model and on a single EPR spectroscopy measurement. The obtained values of the antioxidant capacity were correlated with the bioactive ingredient content identified through the NMR spectroscopy. Moreover, an attempt was made to determine what impact on the antioxidant properties of tea does adding sugar, milk, lemon and honey have. All studied teas exhibited antioxidant properties. The best DPPH free radical scavengers were green teas. Adding sugar, milk and lemon juice to tea did not significantly impact the antioxidant properties of the infusion; adding honey, however, caused an increase in the total antioxidant capacity of the infusion. The aromatic proton content correlates positively with the antioxidant capacity value. [ABSTRACT FROM AUTHOR]

The differences in the Trolox Equivalent Antioxidant Capacity (TEAC) values at the same incubation time obtained by two different techniques: electron paramagnetic resonance (EPR) spectroscopy and ultraviolet visible (UV–vis) spectroscopy, which use the same antioxidant-free radical reaction mechanism, were determined for fruit juices, nectars and drinks. For this study, the stable free radical 1,1-Diphenyl-2-picryl-hydrazyl (DPPH • ) was used. The antioxidant capacity was presented in Trolox Equivalents, e.g., μM trolox per 100 ml of sample. All of the studied fruit juices, drinks and nectars showed antioxidative properties. Dependencies between TEAC values and the percent fruit content and sample color were observed for the studied beverages. It was found that EPR spectroscopy is the more adequate method for determining TEAC values for these kinds of samples. [ABSTRACT FROM AUTHOR]

Antioxidant properties of selected herbs were investigated using electron paramagnetic resonance (EPR) spectroscopy. This was possible by measuring changes in the intensity of the EPR spectrum that resulted from the interaction of the stable radical 1,1-diphenyl-2-picrylhydrazyl with antioxidants found in herbal samples. Moreover, the total phenolic content (TPC) was measured using UV-Vis spectroscopy. The values of trolox equivalent antioxidant capacity were in the range of 10.95 to 505.95 μmol Trolox/1 g of dry weight of sample. TPC values were in the range of 3.38 to 63.13 mg of gallic acid/1 g of dry weight. The results showed that all of the investigated herbs exhibit antioxidant properties. A positive and significant correlation between antioxidant activity and total phenolic content was observed. The studied herbs could be a good source of natural antioxidants. [ABSTRACT FROM AUTHOR]

The antioxidant properties of various kinds of the traditional Polish alcoholic beverage nalewka were investigated using electron paramagnetic resonance (EPR), nuclear magnetic resonance (NMR) and ultraviolet–visible (UV–vis) spectroscopy. The antioxidant capacity was measured by EPR spectroscopy in μmol Trolox (TE) in a 100 mL nalewka sample. The total phenolic content was measured by Folin–Ciocalteu (FC) assays while aromatic proton content ( H ar ) was determined by NMR spectroscopy; subsequently the correlation among these values was explored. All of the investigated nalewkas exhibited antioxidant properties. The values of Trolox equivalent antioxidant capacity (TEAC DPPH ) were in the range 45–1045 μmol TE/100 mL. It was found that the value of the TEAC DPPH corresponded to the TP ( r = 0.96) and H ar ( r = 0.95). Moreover, the TEAC DPPH values depended on the kinds of fruits used for nalewkas’ preparation. [ABSTRACT FROM AUTHOR]

Seven commercial hop (Humulus lupulus L.) oils originating from a selection of North American hop varieties (Amarillo, Azacca, Cascade, Centennial, Chinook, Saaz, and Ahhhroma) and six homemade hop oils hydrodistilled from the same commercial hop pellets (except Ahhhroma) were compared. Seven terpenes regarded as hop oil markers (i.e., α-pinene, β-pinene, β-myrcene, β-ocimene, limonene, β-caryophyllene, and α-humulene) and methyl heptanoate were identified and quantified by GC–MS and GC-FID. The antioxidant potential of the commercial hop oil samples was evaluated using electron paramagnetic resonance (EPR) spectroscopy, while their components' antibacterial (against Aliivibrio fischeri) and enzyme (α-glucosidase and lipase) inhibition activities were screened using high-performance thin-layer chromatography (HPTLC)-based assays. A distinct feature of five of the commercial hop oils (except Saaz and Ahhhroma) was relatively high contents of β-myrcene (between 4.21 and 6.40 µg mg−1 hop oil). Azacca, Cascade, and Centennial hydrodistilled oils had perceptibly higher contents of β-caryophyllene than the rest, and most of them (except Chinook) contained relatively high amounts of α-humulene. Differences between the terpene profiles of the commercial and homemade hydrodistilled hop oils suggested that the commercial hop oils were derived from hop cones in a process different from hydrodistillation. The oils showed relatively low antioxidant potential, comparable to that of popular beers and white wines. The highest antioxidant potential was observed in Ahhhroma oil, while it was very low in Centennial oil, and no antioxidant potential was observed in Cascade and Saaz oils. The developed streamlined workflow, including parallel HPTLC-directed bioassays and HPTLC—TLC–MS Interface—SPME–GC–MS, enabled the identification of β-myrcene, dimyrcenes, β-farnesene, and 2-methylbutyl isobutyrate as anti-obesity compounds and β-farnesene, β-myrcene, and 2-methylbutyl isobutyrate as weak antibacterial hop oil components. [ABSTRACT FROM AUTHOR]

Highlights: [•] The antioxidant properties of beer were investigated by means of EPR spectroscopy. [•] All beers studied have antioxidant properties. [•] The antioxidant capacity of beer depends on the extract content and colour. [•] The antioxidant activity of beer is not affected by its alcohol content. [Copyright &y& Elsevier]

Abstract: The antioxidant properties of samples of different kinds of commercially available alcoholic beverages were investigated by electron paramagnetic resonance (EPR) spectroscopy. This analytical technique is chiefly designed to enable accurate detection of free radicals. The determination of antioxidant activity by the EPR method is conducted by measuring the changes of the intensity of the EPR spectrum of stable radicals, which results from their interaction with antioxidants. Antioxidant capacity of alcoholic beverages samples was assessed with the use of the stable free radical 1,1-diphenyl-2-picrylhydrazyl (DPPH ). The highest antioxidant activity was found in red wines, followed by a blend of wine and brandy and then by whiskies, whereas plain vodkas and gin showed negative values of antioxidant activity. From our studies it can be concluded that the value of antioxidant capacity depends on the polyphenolic content, the time and method of ageing, as well as on the flavour and colour additives. [Copyright &y& Elsevier]

The aim of the present work was to compare the concentration changes of polyaromatic hydrocarbons (PAH) and the course of humification processes during wastewater treatment. Studies of samples from a biological-mechanical wastewater treatment plant in Sosnowiec-Zagórze (Poland) were carded out. Determination of PAH was performed both for wastewater sludge and sludge water. Observations of the course of humification processes for humic acid fractions isolated from sludges were conducted. Analysis of PAH extracted from wastewaters and from sludge was performed by means of high-performance liquid chromatography. Investigations of humification processes were conducted by electron paramagnetic resonance and nuclear magnetic resonance methods. The elementary composition changes in the structure of the extracted humic acids were determined. It was found that polyaromatic hydrocarbons appear during the processes of humification. Their content in water decreased only after the process of sludge aeration; however, sludge water leaving the settlers was PAH-enriched. [ABSTRACT FROM AUTHOR]

Recent interest in the antioxidant capacity of foods and beverages is based on the established medical knowledge that antioxidants play an essential role in counteracting the damaging effects of free radicals, preventing human neurodegenerative diseases, cardiovascular disorders, and even cancer. At the same time, there is no "the method" that uniquely defines the antioxidant capacity of substances; moreover, the question of interrelation between results obtained by different experimental techniques is still open. In this work, we consider the trolox equivalent antioxidant capacity (TEAC) values obtained by electron paramagnetic resonance (EPR) spectroscopy and ultraviolet–visible (UV–vis) spectroscopy using the classic objects for such studies as an example: red, rosé, and white wine samples. Based on entirely different physical principles, these two methods give values that are not so simply interrelated; this creates a demand for machine learning as a suitable tool for revealing quantitative correspondence between them. The consideration consists of an approximate correlation-based analytical model for the key argument (i.e., T E A C E P R ) with subsequent adjustment by machine learning-based processing utilizing the CatBoost algorithm with the usage of auxiliary chemical data, such as the total phenolic content and color index, which cannot be accurately described by analytical expressions. [ABSTRACT FROM AUTHOR]

In this work, we review some physical methods of macroscopic experiments, which have been recently argued to be promising for the acquisition of valuable characteristics of biomolecular structures and interactions. The methods we focused on are electron paramagnetic resonance spectroscopy, Raman spectroscopy, and differential scanning calorimetry. They were chosen since it can be shown that they are able to provide a mutually complementary picture of the composition of cellular envelopes (with special attention paid to mycobacteria), transitions between their molecular patterning, and the response to biologically active substances (reactive oxygen species and their antagonists—antioxidants—as considered in our case study). [ABSTRACT FROM AUTHOR]

Through a straightforward approach, a new meltable, halogen-free, nitrogen-phosphorus-based flame retardant (FR), 6-(2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl) dibenzo[c,e][1,2]oxaphosphinine 6-oxide (DTE-DOPO) was synthesized and incorporated in polyamide 6 (PA6). It was proved that a very low phosphorus content of 1.46 wt % for DTE-DOPO additive improved the flame retardancy of PA6, leading to a non-flammable material. The performance of the new additive was compared to that of the commercially-available Exolit® OP 1230. The PA6 formulations were evaluated by measuring the rheological, mechanical, and flammability behavior. Using compounding by melt extrusion, 17 wt % additives was introduced into PA6 matrix and the corresponding formulations were characterized. The results evidenced a higher homogeneity of DTE-DOPO with PA6, a high thermal stability with a catalyzing decomposition effect on PA6 caused by the presence of the new developed FR, enhanced elasticity for the PA6/DTE-DOPO formulation and a V0 rating for both formulations. Thermal and fire analysis indicated a primary gas-phase activity, combined with a complete suppression of the self-sustained burning for the PA6/DTE-DOPO formulation. [ABSTRACT FROM AUTHOR]

The remarkable variety of glasses doped with transition metal ions is a major reason for the growing popularity of spectroscopic studies to identify their optical properties. This study presents interesting results of analyzing the relationship between structural and optical properties of multicomponent germanate glass systems doped with Cr3+ ions. The chemical composition of the developed glasses was changed as a function of boron oxide and titanium oxide. EPR studies showed that each glass system exhibits two resonance signals in the low and high magnetic fields, respectively. The optical properties of the fabricated glasses were analyzed by recording optical absorption, excitation, and emission spectra. The calculated spectroscopic parameters showed very well the changes of the crystal field strength around Cr3+ ions. The used approach perfectly demonstrates the changes in the profile of the recorded luminescence bands related to the 4T 2 → 4A 2 and 2E → 4A 2 transitions of trivalent chromium ions. These findings set a new direction in infrared photonics because show a way to effectively tune the unique optical properties of Cr3+ ions from the change of the chemical composition of the germanate glassy matrix. • Multicomponent germanate glasses containing titanium dioxide and boron oxide doped with Cr 2 O 3 were prepared. • The properties of Cr3+ ions were studied using EPR and optical spectroscopy. • Selected spectral parameters for Cr3+ were determined owing to the Tanabe-Sugano diagram. • The observed emission bands corresponding to 4T 2.→ 4A 2 and 2E → 4A 2 transition of Cr3+ are located in a broad near-infrared range. [ABSTRACT FROM AUTHOR]

Derivatives of ( E)-1-(5-alkoxybenzo[ d][1,3]oxathiol-6-yl)-3-phenylprop-2-en-1-one demonstrated exceptionally high in vitro cytotoxic activity, with IC50 values of the most active derivatives in the nanomolar range. To identify structural fragments necessary for the activity, several analogs deprived of selected fragments were prepared, and their cytotoxic activity was tested. It was found that the activity depends on combined effects of (i) the heterocyclic ring, (ii) the alkoxy group at position 5 of the benzoxathiole ring, and (iii) the substituents in the phenyl ring B. Replacement of the sulfur atom by oxygen does not influence the activity. None of the listed structural fragments alone assured high cytotoxic activity. [ABSTRACT FROM AUTHOR]

Glasses containing two different network-forming components and doped with optically active ions exhibit interesting properties. In this work, glass systems based on germanium dioxide and boron trioxide singly doped with lanthanides (Eu3+) and transition metals (Cr3+) ions are research subjects. Optical spectroscopy was the major research tool used to record excitation and emission spectra in a wide spectral range for studied systems. The emitted radiation of glasses doped with Cr3+ ions is dominated by broadband luminescence centered at 770 nm and 1050 nm (4T2 → 4A2). Interestingly, the increase of concentration of one of the oxides contributed to the detectable changes of the R-line (2E → 4A2) of Cr3+ ions. Moreover, EPR spectroscopy confirmed the paramagnetic properties of the obtained glasses. The influence of molar ratio GeO2:B2O3 on spectroscopic properties for Eu3+ ions is discussed. The intensity of luminescence bands due to transitions of trivalent europium ions as well as the ratio R/O decrease with the increase of B2O3. On the other hand, the increase in concentration B2O3 influences the increasing tendency of luminescence lifetimes for the 5D0 state of Eu3+ ions. The results will contribute to a better understanding of the role of the glass host and thus the prospects for new optical materials. [ABSTRACT FROM AUTHOR]

The protein p53 protects the organism against carcinogenic events by the induction of cell cycle arrest and DNA repair program upon DNA damage. Virtually all cancers inactivate p53 either by mutations/deletions of the TP53 gene or by boosting negative regulation of p53 activity. The overexpression of MDM2 protein is one of the most common mechanisms utilized by p53wt cancers to keep p53 inactive. Inhibition of MDM2 action by its antagonists has proved its anticancer potential in vitro and is now tested in clinical trials. However, the prolonged treatment of p53wt cells with MDM2 antagonists leads to the development of secondary resistance, as shown first for Nutlin-3a, and later for three other small molecules. In the present study, we show that secondary resistance occurs also after treatment of p53wt cells with idasanutlin (RG7388, RO5503781), which is the only MDM2 antagonist that has passed phase II and entered phase III clinical trials, so far. Idasanutlin strongly activates p53, as evidenced by the induction of p21 expression and potent cell cycle arrest in all the three cell lines tested, i.e., MCF-7, U-2 OS, and SJSA-1. Notably, apoptosis was induced only in SJSA-1 cells, while MCF-7 and U-2 OS cells were able to restore the proliferation upon the removal of idasanutlin. Moreover, idasanutlin-treated U-2 OS cells could be cultured for long time periods in the presence of the drug. This prolonged treatment led to the generation of p53-mutated resistant cell populations. This resistance was generated de novo, as evidenced by the utilization of monoclonal U-2 OS subpopulations. Thus, although idasanutlin presents much improved activities compared to its precursor, it displays the similar weaknesses, which are limited elimination of cancer cells and the generation of p53-mutated drug-resistant subpopulations. [ABSTRACT FROM AUTHOR]

This study concerns the possibility of functionalization of a binary oxide system with an organic agent in order to change its physicochemical properties and surface activity. The binary oxide material – MgO-SiO 2 –was obtained via a sol-gel route using organic precursors of magnesium oxide and silica, ammonia as catalyst and methanol as a solvent. The powder material prepared according to the proposed method of synthesis was functionalized with a commercial POSS compound – AminoethylaminopropylIsobutyl POSS ® . The efficiency of immobilization of the modifying agent onto MgO-SiO 2 material was evaluated by the FTIR, 29 Si and 13 C CP MAS NMR methods. Moreover, detailed physicochemical and structural characteristics of the resulting materials, including morphology, parameters of the porous structure, hydrophobic/hydrophilic nature and thermal stability, were determined. As a result of this functionalization, a novel group of oxide systems with defined physicochemical properties dedicated to specific applications was created. The functionalized form of the synthesized MgO-SiO 2 material was successfully applied as a bond/stabilizer in polyol mixtures and as a flame retardant for polyurethane foams. [ABSTRACT FROM AUTHOR]

This study presents the results of comparative evaluation of the antioxidant activity of the phenolic fraction exhaustively extracted with aqueous methanol from 18 different thyme (Thymus L.) specimens and species. This evaluation is made with use of the same free radical source (DPPH• radical), three different free radical scavenging models (gallic acid, ascorbic acid, and Trolox), and three different measuring techniques (the dot blot test, UV-Vis spectrophotometry, and electron paramagnetic resonance spectroscopy, EPR). A comparison of the equivalence of these three different measuring techniques (performed with use of hierarchical clustering with Euclidean distance as a similarity measure and Ward's linkage) is particularly important in view of the fact that different laboratories use different antioxidant activity measuring techniques, which makes any interlaboratory comparison hardly possible. The results obtained confirm a semiquantitative equivalence among the three compared methodologies, and a proposal is made of a simple and cost-effective dot blot test that uses the DPPH• radical and provides differentiation of antioxidant activity of herbal matter comparable with the results of the UV-Vis spectrophotometry and EPR. [ABSTRACT FROM AUTHOR]

Pomegranate fruit (Punica granatum L.) is a source of numerous phenolic compounds, and it contains flavonoids such as anthocyanins, anthocyanidins, cyanidins, catechins and other complexes of flavonoids, ellagitannins, and hydrolyzed tannins. Pomegranate juice shows antioxidant, antiproliferative, and anti-atherosclerotic properties. The antioxidant capacity (TEAC) of the pomegranate juices was measured using electron paramagnetic resonance (EPR) spectroscopy and 1,1-diphenyl-2- picrylhydrazyl (DPPH•) as a source of free radicals, and the total phenolic (TP) content was measured using UV-Vis spectroscopy. All the examined pomegranate juices exhibited relatively high antioxidant properties. The TEAC values determined by means of EPR spectroscopy using Trolox (TE) as a free radical scavenger were in the range of 463.12 to 1911.91 μmol TE/100 mL juice. The TP content measured by the Folin-Ciocalteu method, using gallic acid (GA) as a free radical scavenger, widely varied in the investigated pomegranate juice samples and ranged from 1673.62 to 5263.87 mg GA/1 L juice. The strongest antioxidant properties were observed with the fresh pomegranate juices obtained from the fruits originating from Israel, Lebanon, and Azerbaijan. Correlation analysis of numerical data obtained by means of EPR spectroscopy (TEAC) and UV-Vis spectroscopy (TP) gave correlation coefficient (r) = 0.90 and determination coefficient (r²) = 0.81 (P <0.05). [ABSTRACT FROM AUTHOR]

Novel multicomponent titanate-germanate glasses singly doped with transition metal (Cr3+) and rare earth ions (Eu3+) were synthesized and the glass transition temperatures and thermal stability parameters were determined using DSC measurements. X-ray diffraction analysis confirmed fully amorphous nature of the received samples. Their structural and optical properties were compared with germanate glasses without TiO2. Correlation between local structure and optical properties in titanate-germanate glasses is well evidenced by FT-IR, Raman, EPR, and luminescence spectroscopy. In particular, luminescence spectra and their decays are examined for glass samples, where GeO2 was partially substituted by TiO2. [ABSTRACT FROM AUTHOR]

A novel group of silsesquioxane derivatives, which are siloxane-silsesquioxane resins (S4SQ), was for the first time examined as possible flame retardants in polypropylene (PP) materials. Thermal stability of the PP/S4SQ composites compared to the S4SQ resins and neat PP was estimated using thermogravimetric (TG) analysis under nitrogen and in air atmosphere. The effects of the non-functionalized and n-alkyl-functionalized siloxane-silsesquioxane resins on thermostability and flame retardancy of PP materials were also evaluated by thermogravimetry-Fourier transform infrared spectrometry (TG-FTIR) and by cone calorimeter tests. The results revealed that the functionalized S4SQ resins may form a continuous ceramic layer on the material surface during its combustion, which improves both thermal stability and flame retardancy of the PP materials. This beneficial effect was observed especially when small amounts of the S4SQ fillers were applied. The performed analyses allowed us to propose a possible mechanism for the degradation of the siloxane-silsesquioxane resins, as well as to explain their possible role during the combustion of the PP/S4SQ composites. [ABSTRACT FROM AUTHOR]