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Moreover, it significantly inhibited IL-1β-stimulated PI3K/AKT phosphorylation and NF-κB mobilization in human OA chondrocytes. In vivo, glycyrrhizin treatment prevented the destruction of cartilage in mice OA models. In summary, all the results demonstrate that glycyrrhizin may be a potential therapeutic approach for OA.The present study aims to investigate the nutritional, antioxidative, and sensory characteristics of bread enriched with roasted prickly pear seed (RPPS) flour. Six flour blends were formulated by partial replacement of wheat flour with 0, 2, 4, 6, 8 and 10% RPPS flour. Proximate composition, phenolics, flavonoids and antioxidant activity measured using a 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical of wheat and RPPS flours were determined. Nutritional and sensory characteristics of bread enriched with different levels of RPPS flour were evaluated. The results show that the content of total phenolics, flavonoids and radical scavenging activity in RPPS flour were about 4.5, 4.7 and 4.0 fold higher, respectively, when compared to wheat flour. The incorporation of different levels of RPPS flour in bread formulation significantly increases the dietary fibers, fat, and ash contents and reduces the carbohydrate content of the produced breads. The highest (p ≤ 0.05) phenolic concentrations and antioxidant activity values were found in bread enriched with 6, 8 and 10% RPPS flour. Generally, the replacement of wheat flour with RPPS flour results in a significant decrease (p ≤ 0.05) in the specific volume, however, no significant difference (p ≥ 0.05) was observed between the 2% RPPS-enriched flour and control breads. The sensory properties of breads were not affected at low levels up to 6% supplementation, but at more than 6% RPPS flour supplementation, the bread became unacceptable.The small intestine is an important digestive organ and plays a vital role in the life of a pig. In this study, we explored the regulatory role and molecular mechanism of pyrroloquinoline quinone (PQQ) on intestinal health and to discussed the interaction between PQQ and vitamin C (VC). A total of 160 healthy piglets weaned at 21 d were randomly divided into four treatment groups according to 2 × 2 factoring. The results showed that dietary PQQ could significantly decrease the levels of plasma globulin, albumin/globulin (A/G), indirect bilirubin (IBIL), blood urea nitrogen (BUN), creatinine (CREA) (P less then 0.05 for each), total bilirubin, (TBIL) (P less then 0.01), diamine oxidase (DAO) (P less then 0.01) and immunoglobulin G (IgG) (P less then 0.0001) and increase the levels of immunoglobulin A (IgA) and immunoglobulin M (IgM) (P less then 0.0001) in the plasma of weaned piglets. Similarly, dietary VC could significantly decrease the levels of plasma globulin, A/G, DAO (P less then 0.05 for each) and IgG (P less then 0.0001) and increase the levels of IgA and IgM (P less then 0.0001) in the plasma of weaned piglets. In addition, dietary PQQ increased (P less then 0.05) the mRNA levels of antioxidant genes (NQO1, UGT1A1, and EPHX1), thereby enhancing (oxidized) nicotinamide adenine dinucleotide (NAD+) concentration and sirtuin 1 (SIRT1) activity in tissues. However, the addition of 200 mg kg-1 VC to the diet containing PQQ reduced most of the effects of PQQ. We further show that PQQ reduced (P less then 0.05) the expression of inflammation-related genes (IL-2, IL-6, TNF-α, and COX-2) via the SIRT1/NF-κB deacetylation signaling. In conclusion, our data reveals that PQQ exerts a certain protective effect on the intestines of piglets, but higher concentrations of VC react with PQQ, which inhibits the regulatory mechanism of PQQ.The intermolecular interactions in concentrated (5 M) aqueous imidazole solutions have been investigated by combining neutron diffraction with isotopic substitution, total X-ray scattering and empirical potential structure refinement (EPSR) simulations using a box containing 5530 water and 500 imidazole molecules. The structural model with the best fit was used to generate radial distribution functions and spatial density functions. The local volume surrounding imidazole molecules is dominated by water, due to strong hydrogen-bonding between the nitrogen moieties of imidazole and water molecules; within a radius of 6.4 Å from the central imidazole molecule there are, on average, 17 water and only 3 imidazole molecules. Even though imidazole interacts with water it appears to disrupt hydrogen bonding in the surrounding water network only minimally. Hydrogen-bonding between imidazole molecules is negligible. The most probable positions of imidazole nearest-neighbours are above and below the plane of the aromatic ring. At low distances (up to ∼3.5-3.8 Å) these nearest neighbours were found to prefer parallel orientation of the molecular planes, indicating hydrophobic (π-π) stacking. At longer distances (up to ∼5 Å), imidazole neighbours assume both parallel and edge-to-face orientations. Overall, hydrated imidazole molecules are the most probable structural motif in aqueous solutions, with very few direct imidazole-imidazole interactions.Nowadays identifying a high-performance catalyst for converting methane to methanol is crucial because methanol serves as an excellent energy source and has wide chemical applications. In the present study, we used DFT, a computational chemistry method, to investigate the reaction mechanism of methanol production by conversion of methane on Pt5 nanoparticles supported on graphene oxide (GO) substrates. Computational results predicted that the Pt5/GO system exhibits excellent catalysis efficiency, compared with those of the previously examined Pt2/GO and Pt2O2/GO systems. Energetics of examined molecular species and the reaction mechanism showed that the Pt5/GO system exhibits high stability in this catalysis reaction and catalyzes the reaction efficiently. Moreover, between the two investigated surfaces GO and UGO, GO performed better and should be a promising catalyst support to convert methane into methanol.The interaction of positronium (Ps) with molecular oxygen dissolved in liquids is experimentally investigated. Computer software has been developed for fitting the positron annihilation lifetime spectra in liquids using parameters with clear physical meaning rate constants of the Ps chemical reactions, annihilation rate constants of the different positron states, probability of Ps formation in a quasi-free state, typical formation time of a Ps nanobubble. Such processing of the spectra allowed identification of the dominant interaction of the Ps atom with dissolved oxygen. It turns out to be mainly ortho-para-conversion (Ps → 1/4 p-Ps + 3/4 o-Ps), but not oxidation (Ps + O2→ e+ + O2-). Values of the reaction rate constants are obtained.Recently, flexible metacomposites with negative permittivity have triggered extensive interest owing largely to their promising applications in areas such as sensors, cloaking, and wearable and flexible electronic devices. click here In this paper, flexible silver nanowire/carbon fiber felt (AgNW/CFF) metacomposites with weakly negative permittivity were fabricated by adjusting their composition and microstructure. Along with the formation of a conductive AgNW network, the resulting composites gradually presented metal-like behavior. Interestingly, weakly negative permittivity with a small absolute value (as low as about 6.4) and good flexibility were observed in the composites with 3.7 wt% AgNWs. The one-dimensional silver nanowires contribute to reducing the overall electron density of the resulting composites, which is responsible for the weakly negative permittivity. As the AgNWs increased, the Drude-like negative permittivity got stronger owing to the enhancement of the electron density. Further investigation from the perspective of microelectronics revealed that the negative permittivity is dependent on the inductive characteristic. The proposed design strategy for AgNW/CFF composites with tunable negative permittivity opens up a new approach to flexible metacomposites.Carbon rich clusters are usually found after the detonation of explosives, which greatly hinder their further decomposition into small molecules. A comparison study of thermal decomposition and clusters formation between 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) and benzotrifuroxan (BTF) crystals was conducted to uncover the mechanisms behind their distinct differences in sensitivity and reaction violence, which has not been investigated in detail. The simulations of heating at 3500 K, then expansion and cooling were conducted through reactive molecular dynamics using the ReaxFF-lg force field. As a result, the initial low decay rate indicates that TATB is more stable than BTF under high temperatures, while once ignited it decays faster than BTF. Nevertheless, BTF decomposes more completely with a higher potential energy release, a greater amount of final products, and higher reaction frequencies, and shows higher reaction violence than TATB. More and heavier clusters occur in TATB crystals compared with those in BTF. Large clusters form during the heating process and then partly dissociate during expansion and cooling. A faster cooling rate facilitates larger clusters formation. Graphitic geometries as well as carbon rings and carbon chains are common in the stable clusters. Besides, further simulations show that a lower heating temperature facilitates larger clusters formation both in TATB and BTF. Our results are expected to deepen the insight into the mechanisms of carbon clusters formation and the different performances of TATB and BTF.Of particular interest in radiation-induced charge transfer processes in DNA is the extent of hole localization immediately after ionization and subsequent relaxation. To address this, we considered double stranded oligomers containing guanine (G) and 8-oxoguanine (8OG), i.e., ds(5'-GGG-3') and ds(5'-G8OGG-3') in B-DNA conformation. Using DFT, we calculated a variety of properties, viz., vertical and adiabatic ionization potentials, spin density distributions in oxidized stacks, solvent and solute reorganization energies and one-electron oxidation potential (E0) in the aqueous phase. Calculations for the vertical state of the -GGG- cation radical showed that the spin was found mainly (67%) on the middle G. However, upon relaxation to the adiabatic -GGG- cation radical, the spin localized (96%) on the 5'-G, as observed in experiments. Hole localizations on the middle G and 3'-G were higher in energy by 0.5 kcal mol-1 and 0.4 kcal mol-1, respectively, than that of 5'-G. In the -G8OGG- cation radical, the spin localized only on the 8OG in both vertical and adiabatic states. The calculated vertical ionization potentials of -GGG- and -G8OGG- stacks were found to be lower than that of the vertical ionization potential of a single G in DNA. The calculated E0 values of -GGG- and -G8OGG- stacks are 1.15 and 0.90 V, respectively, which owing to stacking effects are substantially lower than the corresponding experimental E0 values of their monomers (1.49 and 1.18 V, respectively). SOMO to HOMO level switching is observed in these oxidized stacks. Consequently, our calculations predict that local double oxidations in DNA will form triplet diradical states, which are especially significant for high LET radiations.
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