Synthesis of Epoxy Methacrylate Resin and Coatings Preparation by Cationic and Radical Photocrosslinking

This work involves the synthesis of hybrid oligomers based on the epoxy methacrylate resin. The EA resin was obtained by the modification of industrial-grade bisphenol A-based epoxy resin and methacrylic acid has been synthesized in order to develop multifunctional resins comprising both epoxide group and reactive, terminal unsaturation. Owing to the presence of both epoxy and double carbon–carbon pendant groups, the reaction product exhibits photocrosslinking via two distinct mechanisms: (i) cationic ring-opening polymerization and (ii) free radical polymerization. Monitoring of EA synthesis reactions over time using PAVs, MAAC and NV parameters, and the FT-IR method reveals that esterification reactions proceed faster at the start, exhibiting over 40% of conversion within the initial 60 min, which can be associated with a relatively high concentration of reactive sites and low viscosity of the reaction mixture at the initial reaction stage. With the further increase in the reaction time, the reaction rate tends to decrease. The control of the EA synthesis process can guide how to adjust reactions to obtain EAs with desired characteristics. Based on obtained values, one can state that the optimum synthesis time of about 4–5 h should be adopted to prepare EAs having both epoxy groups and unsaturated double bonds. The structure of the obtained EA was confirmed by FT-IR and NMR methods, as well as the determination of partial acid value and epoxy equivalent. Samples at various stages of synthesis were cured with UV radiation in order to study the kinetics of the process according to cationic and radical polymerization determined via photo-differential scanning calorimetry (photo-DSC) and real-time infrared spectroscopy (RT-IR) and then the properties of the cured coatings were tested. It turned out that the cationic polymerization was slower with a lower conversion of the photoreactive groups, as compared to the radical polymerization. All the obtained EA coatings were characterized by good properties of cured coatings and can be successfully used in the coating-forming sector.     

Microalgae as a Potential Functional Ingredient: Evaluation of the Phytochemical Profile,Antioxidant Activity and In-Vitro Enzymatic Inhibitory Effect of Different Species

The functional food market has been in a state of constant expansion due to the increasing awareness of the impact of the diet on human health. In the search for new natural resources that could act as a functional ingredient for the food industry, microalgae represent a promising alternative, considering their high nutritional value and biosynthesis of numerous bioactive compounds with reported biological properties. In the present work, the phytochemical profile, antioxidant activity, and enzymatic inhibitory effect aiming at different metabolic disorders (Alzheimer’s disease, Type 2 diabetes, and obesity) were evaluated for the species Porphyridium purpureum, Chlorella vulgaris, Arthorspira platensis, and Nannochloropsis oculata. All the species presented bioactive diversity and important antioxidant activity, demonstrating the potential to be used as functional ingredients. Particularly, P. purpureum and N. oculata exhibited higher carotenoid and polyphenol content, which was reflected in their superior biological effects. Moreover, the species P. purpureum exhibited remarkable enzymatic inhibition for all the analyses.     

Effect of Hydroxyl Groups Esterification with Fatty Acids on the Cytotoxicity and Antioxidant Activity of Flavones

Flavonoids and polyunsaturated fatty acids due to low cytotoxicity in vitro studies are suggested as potential substances in the prevention of diseases associated with oxidative stress. We examined novel 6-hydroxy-flavanone and 7-hydroxy-flavone conjugates with selected fatty acids (FA) of different length and saturation and examined their cytotoxic and antioxidant potential. Our findings indicate that the conjugation with FA affects the biological activity of both the original flavonoids. The conjugation of 6-hydroxy-flavanone increased its cytotoxicity towards prostate cancer PC3 cells. The most noticeable effect was found for oleate conjugate. A similar trend was observed for 7-hydroxy-flavone conjugates with the most evident effect for oleate and stearate. The cytotoxic potential of all tested conjugates was not specific towards PC3 because the viability of human keratinocytes HaCaT cells decreased after exposure to all conjugates. Additionally, we showed that esterification of the two flavonoids decreased their antioxidant activity compared to that of the original compounds. Of all the tested compounds, only 6-sorbic flavanone showed a slight increase in antioxidant potential compared to that of the original compound. Our data show that conjugated flavonoids are better absorbed and enhance cytotoxic effects, but the presence of FA lowered the antioxidant potential.     

Evaluation of Two Novel Hydantoin Derivatives Using Reconstructed Human Skin Model EpiskinTM: Perspectives for Application as Potential Sunscreen Agents

This study aimed to assess two novel 5-arylideneimidazolidine-2,4-dione (hydantoin) derivatives (JH3 and JH10) demonstrating photoprotective activity using the reconstructed human skin model Episkin^TM. The skin permeability, irritation, and phototoxicity of the compounds was evaluated in vitro. Moreover, the in vitro genotoxicity and human metabolism of both compounds was studied. For skin permeation and irritation experiments, the test compounds were incorporated into a formulation. It was shown that JH3 and JH10 display no skin irritation and no phototoxicity. Both compounds did not markedly enhance the frequency of micronuclei in CHO-K1 cells in the micronucleus assay. Preliminary in vitro studies with liver microsomes demonstrated that hydrolysis appears to constitute their important metabolic pathway. Episkin^TM permeability experiments showed that JH3 permeability was lower than or close to currently used UV filters, whereas JH10 had the potential to permeate the skin. Therefore, a restriction of this compound permeability should be obtained by choosing the right vehicle or by optimizing it, which should be addressed in future studies.     

Refinement of the (NH4)3H(SO4)2 crystal structure: II. X-ray and neutron single-crystal diffraction from phase II at room temperature

The crystal of (NH₄)₃H(SO₄)₂ is of special interest due to the possible influence of ammonium ion on the series of phase transitions: I↔II↔ III↔IV↔V↔VII. Earlier, the x-ray single-crystal diffraction study of phase II of the (NH₄)₃H(SO₄)₂ crystal showed that the crystal structure of this compound had two crystallographically independent groups of the ammonium ions NH₄(1) and NH₄(2) but orientational positions of these ammonium ions were not determined exactly. The refinement of the NH₄(1) and NH₄(2) orientational positions in phase II was carried out by the x-ray and neutron single-crystal diffraction study. The analysis of difference Fourier maps of electron charge density and nuclear density suggested the possibility of disordering of NH₄(2) ammonium ions. The text was submitted by the authors in English.     

A note on a theorem of Perles concerning non-crossing paths in convex geometric graphs

During the last decade a Turán-type result of Perles about the length of the longest non-crossing paths in convex geometric graphs has been receiving some attention in the community studying geometric graphs. In this note we prove that it implies a theorem of Merino, Salazar and Urrutia about the length of the longest alternating paths for a multicoloured point set in convex position. We also give an alternative proof of Perles's theorem based on some ideas from the Merino et al. paper.     

Polarized emission of doped ZnS crystals

Polarization of light emitted in various spectral ranges was studied in two single crystals ZnS:Cu, Cl and ZnS:Ag, Cu, Al. The G-Cu, B-Cu and a small amount of S-A centers have been identified in the ZnS:Cu, Cl crystal by the spectral and polarization methods. The B-Ag band was found in the spectrum of the ZnS:Ag, Cu, Al crystal and its polarization properties investigated. This emission appears to be always polarized perpendicular to the [111]_c axis of the stacking faults independently of the polarization of the exciting light. The symmetry of the B-Ag center is not lower than that of the host lattice. Analogy with G-Cu centers suggests a model for the B-Ag center in which the polarization comes from the symmetry properties of the Ag²⁺ orbitals in the trigonal field of stacking faults.     

Red luminescence of ZnS: Fe crystals

In order to elucidate the nature of the red emission band at 660 nm in ZnS: Fe crystals, the equilibrium luminescence, the thermoluminescence and the photoinduced EPR signals were measured, using UV, or the simultaneous UV + IR excitations. In addition, the polarization properties and the light-pressure shift of the red luminescence were studied. On the basis of the obtained results and of the data reported in the literature and concerning the red and IR emissions in ZnS: Fe a donor-acceptor model is proposed, in which the transition Cl^2?→Fe³⁺ would give rise to the 660 nm band.     

Kinetics of luminescence in ZnS crystals as studied by centers discrimination

It was shown, by alternating the unpolarized and polarized UV-excitation of ZnS crystals, that the excited S-A centers accumulated during the rise of luminescence do not contribute to the steady emission.     

Combining Molecular Dynamic Information and an Aspherical-Atom Data Bank in the Evaluation of the Electrostatic Interaction Energy in Multimeric Protein-Ligand Complex: A Case Study for HIV-1 Protease

Computational analysis of protein–ligand interactions is of crucial importance for drug discovery. Assessment of ligand binding energy allows us to have a glimpse of the potential of a small organic molecule to be a ligand to the binding site of a protein target. Available scoring functions, such as in docking programs, all rely on equations that sum each type of protein–ligand interactions in order to predict the binding affinity. Most of the scoring functions consider electrostatic interactions involving the protein and the ligand. Electrostatic interactions constitute one of the most important part of total interactions between macromolecules. Unlike dispersion forces, they are highly directional and therefore dominate the nature of molecular packing in crystals and in biological complexes and contribute significantly to differences in inhibition strength among related enzyme inhibitors. In this study, complexes of HIV-1 protease with inhibitor molecules (JE-2147 and darunavir) were analyzed by using charge densities from the transferable aspherical-atom University at Buffalo Databank (UBDB). Moreover, we analyzed the electrostatic interaction energy for an ensemble of structures, using molecular dynamic simulations to highlight the main features of electrostatic interactions important for binding affinity.