Antioxidant Efficiency Research Articles

Alternaria brassicicola‐induced ROS accumulation during black spot disease differentially affects antioxidant efficiency, phenolic content and susceptibility of Brassica species

AbstractEarly‐stage responses of Brassica juncea, B. napus and B. oleracea during black spot disease and the development of Alternaria brassicicola were evaluated. Infection of plant cells by the fungus occurred mainly through direct penetration or by appressoria and, rarely, stomata in B. juncea and B. oleracea; in B. napus, penetration was mostly direct. The process of conidial germination, germ tubes and appressoria formation on a leaf surface was correlated with the post‐inoculation time and host species (p < 0.05). Changes in the leaf surface were observed at successful infection sites as bright, wax‐deprived areas. Significant differences in progression of infection between Brassica species were observed, with B. oleracea being the most susceptible and B. napus the least. Accumulation of superoxide anion radicals and hydrogen peroxide was not only observed in plant cells, but also in A. brassicicola germ tubes and appressoria at 8 and 12 h post‐inoculation (hpi). Enhanced production of reactive oxygen species (ROS) and lipid peroxidation during infection triggered diverse patterns of enzymatic and non‐enzymatic antioxidant activities and phenolic compound contents in response to A. brassicicola. In each Brassica species, a different antioxidant was the most active. With their antioxidant properties, phenolic compounds also played an essential role in these interactions. This phenomenon could be related to the disparate levels of susceptibility of the Brassica species to A. brassicicola; for example, the most susceptible, B. oleracea, showed high ROS accumulation with decreasing tendency during disease progression, unchanged phenolics content, and the highest catalase activity, differentiating it from B. juncea and B. napus.

Investigation of curcumin antioxidant efficiency on oxidation stability of biodiesel from soybean oil and beef tallow, contaminated with metals: Kinetic and storage studies

Biodiesel can be produced from different raw materials or its blends, being that the soybean oil and bovine fat blend has been gaining prominence, because it guarantees good oxidative stability. However, several factors can affect its oxidative stability, such as exposure to high temperatures or contact with metals that may be present in storage and transport tanks. Thus, for its commercialization, a minimum of 8 h of Induction Period (IP) is required by the EN 14112 standard, and to reach this oxidation stability value, it is often necessary to add antioxidants to delay the oxidative process. This study aimed to evaluate the antioxidant action of curcumin in commercial biodiesel produced from soybean oil (70 %) and animal fat (30 %) blend and contaminated with metals in order to evaluate parameters such as IP, stabilization factor (F), activation energy (Ea), pre-exponential factor (A), reaction rate constant (k) and samples stability during storage in an oven at 85 °C. The samples were characterized by ultraviolet absorption spectroscopy and by Rancimat method (oxidation stability). The results showed high efficiency of the curcumin antioxidant, monitored by absorption at 425 nm. The curcumin addition in the biodiesel sample provided IP values greater than 8 h, even when contaminated with copper. The results of the kinetic studies showed for activation energy a value of 97.22 kJ mol−1 for the sample with 2000 mg kg−1 of curcumin, and 94.28 kJ mol−1 for the sample with curcumin at the same concentration and contaminated with 2 mg kg−1 copper. Even after 14 days of storage at 85 °C, the samples biodiesel with curcumin showed IP values within the required by international legislation (EN 14112 standard), showing curcumin as a promising natural antioxidant, even when biodiesel exposed to factors that intensify oxidative degradation.

Synthesis, characterization, and antioxidant efficiency of CoCu/(βCDhis) complex

This report describes the synthesis of a bimetallic cobalt-copper complex of histidine-containing β-cyclodextrin (βCDhis) capable of efficiently scavenging superoxide radicals and peroxide anions. A blue-violet CoCu/(βCDhis) complex was prepared in mole ratios of 0.165:0.25:1:1 of Co:Cu:his:βCD in water and characterized using UV–vis, TGA-DTA, EDX, powder XRD and FT-IR analytical techniques. TGA analysis and XRD patterns showed that histidine was incorporated within the β-cyclodextrin ring. UV–Vis and FT-IR spectroscopy confirmed that the histidine CO group interacts with copper and cobalt metals. The results of antioxidant activity tests showed that CoCu/(βCDhis) complex has the highest catalase (88 %), and peroxidase activity (87 %) per 0.005 g of the complex. The imidazole group in histidine increases the solubility of the synthesized complexes and the ability to scavenge hydroxyl radicals, therefore histidine enhances their antioxidant potential.

Simulating the behavior of antioxidant to explore the mechanisms of oxidative stability in Pickering emulsion

This study explores effective strategies for bolstering emulsion oxidative stability via optimized interfacial distribution of varying hydrophobicity antioxidants (gallic acid, propyl gallate, octyl gallate) in zein nanoparticle (ZP) stabilized Pickering emulsions. Experimental and simulation methods revealed that antioxidant (AO) with higher hydrophobicity or loaded into ZP demonstrated stronger hydrogen bonding and van der Waals interactions with ZP. This increased interfacial loading of antioxidants resulted in improved oxidative stability in Pickering emulsions. The flow, distribution and orientation of AO, as revealed by dissipative dynamics simulations, highlighted the role of hydrophobic interactions during initial AO migration, influenced by varied alkyl chain lengths. Subsequent interface rearrangements arose from conservative force interactions between the AO's phenol hydroxyl ends and ZP. These findings inform effective interfacial engineering to optimize antioxidant efficiency, guiding practical applications in emulsion systems for improved oxidative stability.

Computational-based investigation of antioxidative potential polyphenolic compounds of Salvia officinalis L.: combined DFT and molecular docking approaches.

The antioxidant properties of the three polyphenolic compounds (carnosol, cirsiliol, and luteolin) of Salvia officinalis L. were investigated employing the density functional theory (DFT) calculations at the B3LYP of basis set at 6-311 + + G (d, p) in order to evaluate their antioxidant activity. The enthalpies of reactions associated with the SET-PT, SPLET, and HAT mechanisms were analyzed in gas and in different solvents using the CPCM (conductor-like polarizable continuum) model. For all possible hydrogen donor sites, the corresponding parameters (BDE, AIP, PDE, PA, ETE, HOMOs, and LUMOs) and reactivity indices (IPE, EA, Χ, η, S, and ω) were also evaluated. The calculated results showed that derivatives 12-OH, 11-OH, 4'-OH, and 3'-OH had the lowest antioxidant activity. The results showed as well that carnosol, cirsiliol, and luteolin have higher reactivity compared to ascorbic acid and could be considered better antioxidants. According to research, the catechol group is crucial in influencing the studied compounds antioxidant activity. The theoretically predicted order of antioxidant efficiencies in this work agrees well with the QSAR (quantitative structure-activity relationship) data. The findings show that in the vacuum as well as benzene media. HAT would be the most effective mechanism; in contrast, the thermodynamic equilibrium approach in polar media is the SPLET mechanism. Likewise, the outcomes of the docking modeling confirm that the selected molecules have high inhibitory activity to glutathione-S-transferases (GSTs) receptors. Moreover, they have very important pharmacokinetic, chemical, and biological profiles. Finally, all the results show that the three natural molecules have good pharmacokinetic profiles, particularly the bioavailability and permeability toward biological membranes. The software packages used in this investigation are Gaussian 16, Discovery studio Visualizer, and AutoDock vina. The three compounds (carnosol, cirsiliol, and luteolin) of Salvia officinalis L. were optimized with DFT/B3LYP of basis set at 6-311 + + G (d, p). The optimized structures were established via vibrational analysis (i.e., no imaginary frequencies in the frequency set). All enthalpies were zero-point (ZPE) corrected. Vibrational frequency calculations were performed at 298.15K and 1 atmosphere pressure to determine the thermodynamic characteristics of the investigated reactions. The descriptors were associated with the antioxidant mechanisms for investigated molecules in vacuum and in various solvents. The molecular docking was used by AutoDock vina to estimate and evaluate the title compounds compatibility as potential antioxidant drugs utilizing appropriate receptor proteins. The solvation effect in the medium of benzene (ɛ = 2.27) and water (ɛ = 78.39) was taken into account. Furthermore, a methanol solvent (ɛ = 32.61) was also taken into consideration to compare with the empirical data.

A multifunctional flame-retardant TA-MXene based nanocoating for cotton fabric

Ti3C2Tx (MXene) is an ideal thermoelectric responsive fire-warning material but subject to its poor anti-oxidation and unsatisfied flame-retardant efficiency. Herein, a novel tannic acid (TA) decorated MXene (TA-MXene) with good anti-oxidation was fabricated and then used to prepare multifunctional flame-retardant cotton fabric (MFR@CF) combined with antimony potassium tartrate and polydimethylsiloxane. MFR@CF exhibited temperature-sensing and fire-warning performance. Moreover, MFR@CF showed superior flame retardancy with limiting oxygen index of 29 %. In addition, MFR@CF also possessed good thermal camouflage and self-cleaning performance, showing great application prospect in intelligent clothing and firefighting. Our work provides a new insight for preparing multifunctional smart firefighting CF.

Hesperidin and chlorogenic acid mitigate arsenic-induced oxidative stress via redox regulation, photosystems-related gene expression, and antioxidant efficiency in the chloroplasts of Zea mays

The ubiquitous metalloid arsenic (As), which is not essential, can be found extensively in the soil and subterranean water of numerous nations, raising substantial apprehensions due to its impact on both agricultural productivity and sustainability. Plants exposed to As often display morphological, physiological, and growth-related abnormalities, collectively leading to reduced productivity. Polyphenols, operating as secondary messengers within the intricate signaling networks of plants, assume integral functions in the acquisition of resistance to diverse environmental stressors, including but not limited to drought, salinity, and exposure to heavy metals. The pivotal roles played by polyphenols in these adaptive processes underscore their profound significance in plant biology. This study aims to elucidate the impact of hesperidin (HP) and chlorogenic acid (CA), recognized as potent bioactive compounds, on maize plants exposed to As. To achieve this objective, the study examined the physiological and biochemical impacts, including growth parameters, photosynthesis, and chloroplastic antioxidants, of HP (100 μM) and CA (50 μM) on Zea mays plants exposed to arsenate stress (AsV, 100 μM - Na2HAsO4⋅7H2O). As toxicity led to reductions in fresh weight (FW) and dry weight (DW) by 33% and 26%, respectively. However, the application of As+HP and As + CA increased FW by 22% and 40% and DW by 14% and 17%, respectively, alleviating the effects of As stress. As toxicity resulted in the up-regulation of PSII genes (psbA and psbD) and PSI genes (psaA and psaB), indicating a potential response to the re-formation of degraded regions, likely driven by the heightened demand for photosynthesis. Exogenous HP or/and CA treatments effectively counteracted the adverse effects of As toxicity on the photochemical quantum efficiency of PSII (Fv/Fm). H2O2 content showed a 23% increase under As stress, and this increase was evident in guard cells when examining confocal microscopy images. In the presence of As toxicity, the chloroplastic antioxidant capacity can exhibit varying trends, with either a decrease or increase observed. After the application of CA and/or HP, a significant increase was observed in the activity of GR, APX, GST, and GPX enzymes, resulting in decreased levels of H2O2 and MDA. Additionally, the enhanced functions of MDHAR and DHAR have modulated the redox status of ascorbic acid (AsA) and glutathione (GSH). The HP or CA-mediated elevated levels of AsA and GSH content further contributed to the preservation of redox homeostasis in chloroplasts facing stress induced by As. In summary, the inclusion of HP and CA in the growth medium sustained plant performance in the presence of As toxicity by regulating physiological and biochemical characteristics, chloroplastic antioxidant enzymes, the AsA-GSH cycle and photosynthesis processes, thereby demonstrating their significant potential to confer resistance to maize through the mitigation of As-induced oxidative damage and the safeguarding of photosynthetic mechanisms.

Selenium nanoparticles/carboxymethyl chitosan/alginate antioxidant hydrogel for treating steroid-induced osteonecrosis of the femoral head

Oxidative stress plays a crucial role in steroid-induced osteonecrosis of the femoral head (SONFH). Although several antioxidant strategies have been investigated for treating SONFH, their antioxidant efficiencies and therapeutic effects remain unsatisfactory. Here, we developed a selenium nanoparticles/carboxymethyl chitosan/alginate (SeNPs/CMC/Alg) antioxidant hydrogel and evaluated its ability to treat SONFH. In vitro assays indicated that the SeNPs/CMC/Alg hydrogel exhibited excellent properties, such as low cytotoxicity, sustained SeNPs release, and favorable antioxidant activity. Under oxidative stress, the SeNPs/CMC/Alg hydrogel promoted reactive oxygen species (ROS) elimination and enhanced the osteogenic and proangiogenic abilities of bone marrow mesenchymal stem cells (BMSCs). After establishing a rabbit model of SONFH, the SeNPs/CMC/Alg hydrogel was transplanted into the femoral head after core decompression (CD) surgery. Radiographic and histological analyses revealed that the hydrogel treatment alleviated SONFH by eliminating ROS and promoting osteogenesis and angiogenesis compared to those in the CD and CMC/Alg groups. In vitro and in vivo studies indicated that the Wnt/β-catenin signaling pathway was activated by the SeNPs/CMC/Alg hydrogel in both hydrogen peroxide-conditioned BMSCs and necrotic femoral heads. These findings indicate that local transplantation of the SeNPs/CMC/Alg hydrogel is beneficial for treating SONFH, as it promotes ROS elimination and activation of the Wnt/β-catenin signaling pathway.

Unveiling the molecular mechanisms of arsenic tolerance and resilience in the primitive bryophyte Marchantia polymorpha L.

This study addresses the pressing issue of high arsenic (As) contaminations, which poses a severe threat to various life forms in our ecosystem. Despite this prevailing concern, all organisms have developed some techniques to mitigate the toxic effects of As. Certain plants, such as bryophytes, the earliest land plants, exhibit remarkable tolerance to wide range of harsh environmental conditions, due to their inherent competence. In this study, bryophytes collected from West Bengal, India, across varying contamination levels were investigated for their As tolerance capabilities. Assessment of As accumulation potential and antioxidant defense efficiency, including SOD, CAT, APX, GPX etc. revealed Marchantia polymorpha as the most tolerant species. It exhibited highest As accumulation, antioxidative proficiency, and minimal damage. Transcriptomic analysis of M. polymorpha exposed to 40 μM As(III) for 24 and 48 h identified several early responsive differentially expressing genes (DEGs) associated with As tolerance. These includes GSTs, GRXs, Hsp20s, SULTR1;2, ABCC2 etc., indicating a mechanism involving vacuolar sequestration. Interestingly, one As(III) efflux-transporter ACR3, an extrusion pump, known to combat As toxicity was found to be differentially expressed compared to control. The SEM-EDX analysis, further elucidated the operation of As extrusion mechanism, which contributes added As resilience in M. polymorpha. Yeast complementation assay using Δacr3 yeast cells, showed increased tolerance towards As(III), compared to the mutant cells, indicating As tolerant phenotype. Overall, these findings significantly enhance our understanding of As tolerance mechanisms in bryophytes. This can pave the way for the development of genetically engineered plants with heightened As tolerance and the creation of improved plant varieties.

Theoretical Exploration of Enhanced Antioxidant Activity in Copper Complexes of Tetrahydroxystilbenes: Insights into Mechanisms and Molecular Interactions.

A theoretical investigation was conducted using DFT/PW91/TZP/DMSO calculations on a complete set of exhaustive lists of 18 compounds resulting from the complexation of trans-2,4,3',5'-tetrahydroxystilbene (T-OXY) and cis-2,4,1',3'-tetrahydroxystilbene (C-OXY) with copper metal cations (Cu+ and Cu2+). The ligand-binding sites are the critical points of Quantum Theory of Atoms in Molecules (QTAIM) analysis on neutral and deprotonated ligands. Various mechanisms, including hydrogen atom transfer (HAT), sequential proton loss electron transfer (SPLET), single electron transfer followed by proton transfer (SET-PT), and bond dissociation energy (BDE(E0)) calculations, were employed to quantify the antioxidant activity. The BDE(E0) mechanism emerged as the most suitable approach for such analyses to evaluate the departure of hydrogen atoms since the results show the HAT mechanism is the most likely occurring. Particularly intriguing were the anionic Cu+ complexes with ligands adopting trans configurations and deprotonated conformations, displaying superior antioxidant activity compared to their counterparts. Remarkably, a single ligand within the Cu+ complex exhibited exceptional antioxidant prowess, yielding a BDE(E0) value of 91.47 kcal/mol. Furthermore, a complex involving two deprotonated ligands demonstrated antioxidant activity of 31.12 kcal/mol, signifying its potential as a potent antiradical agent, surpassing T-OXY by a factor of 3.91 and even surpassing the antioxidant efficiency of Vitamin C.

Utilization of Silybum marianum extract as a high-performance natural antioxidant for polyethylene

In this study, Silybum marianum extract powder was introduced into low density polyethylene (LDPE) as a primary polyphenolic antioxidant via melt blending method. Two synthetic and commercial polyphenol- and phosphite-based antioxidants (Irganox® 1010 and Irgafos® 168) were also used for comparing the antioxidant efficiency and performance of Silybum marianum extract with commercial ones. A systematic formulation study was achieved by varying the amount of Silybum marianum extract in the range of 0.1–1.0 wt% and the primary:secondary antioxidant ratio. Antioxidant efficiency of Silybum marianum extract was quantified with the oxygen induction time (OIT) and oxidation onset temperature values determined by thermal analysis in a differential scanning calorimeter depending on the compositional variations. Some physical properties of specimens such as transparency, color coordinates, contact angle, and degree of crystallinity values were also examined. It was found that 0.2 wt% of Silybum marianum extract and 0.2 wt% of Irgafos® 168 loaded sample showed an OIT value of 22 min. at 210 °C that could be regarded as a very successful commercial potential. Increasing amount of Silybum marianum extract and Irgafos® 168 significantly improved the oxidation stability of polyethylene under isothermal and non-isothermal conditions. It was also found that introducing Silybum marianum extract, even the loading content of 1.0 wt%, did not alter the transparency and physical properties of LDPE. It has been concluded that Silybum marianum extract can be successfully used as a natural antioxidant in polyolefins and these samples could be used in packaging film applications.Graphical

Synthesis and Assessment of Novel Sustainable Antioxidants with Different Polymer Systems.

Antioxidants are essential to the polymer industry. The addition of antioxidants delays oxidation and material degradation during their processing and usage. Sustainable phenolic acids such as 4-hydroxybenzoic acid or 3,4-dihydroxybenzoic acid were selected. They were chemically modified by esterification to obtain various durable molecules, which were tested and then compared to resveratrol, a biobased antioxidant, and Irganox 1076, a well-known and very efficient fossil-based antioxidant. Different sensitive matrices were used, such as a thermoplastic polyolefin (a blend of PP and PE) and a purposely synthesized thermoplastic polyurethane. Several formulations were then produced, with the different antioxidants in varying amounts. The potential of these different systems was analyzed using various techniques and processes. In addition to antioxidant efficiency, other parameters were also evaluated, such as the evolution of the sample color. Finally, an accelerated aging protocol was set up to evaluate variations in polymer properties and estimate the evolution of the potential of different antioxidants tested over time and with aging. In conclusion, these environmentally friendly antioxidants make it possible to obtain high-performance materials with an efficiency comparable to that of the conventional ones, with variations according to the type of matrix considered.

Antioxidant efficiency of Prunus laurocerasus L. fruit extract on doxorubicin induced hepatic and renal damage

Antioxidant efficiency of Prunus laurocerasus L. fruit extract on doxorubicin induced hepatic and renal damage

Stable nanometer-size beta-cyclodextrin – CeO2-x colloidal nanoparticles with high free radical scavenging activity

Cyclodextrin (CD) molecules are well-known for their ability to form inclusion complexes with hydrophobic molecules, including small drug molecules and lipophilic antioxidants. The combination of nanoparticles (NPs) with antioxidant properties (so-called nanozymes) and hydrophobic antioxidant molecules using CD@NP complexes can increase sufficiently the antioxidant efficiency of both components due to synergistic effect. Here we propose the new method of obtaining β-CD@CeO2-x complexes with addition of β-CD on the stage of syntheses of NPs. As a result, highly stable colloidal solutions of nanometer-size (2–3 nm) β-CD@CeO2-x nanoparticles were obtained. The stabilization effect of β-CD molecules was shown. Obtained β-CD@CeO2-x complexes reveal high antiradical activity in the number of experiments (including •OH and O2– scavenging) related to Ce3+/Ce4+ redox switching in nanoceria. The aggregation behavior of β-CD@CeO2-x complexes in various biological media was studied and the ways to improve their stability were proposed.

Injectable Self-Expanding/Self-Propelling Hydrogel Adhesive with Procoagulant Activity and Rapid Gelation for Lethal Massive Hemorrhage Management.

Developing hydrogels that can quickly reach deep bleeding sites, adhere to wounds, and expand to stop lethal and/or noncompressible bleeding in civil and battlefield environments remains a challenge. Herein, an injectable, antibacterial, self-expanding, and self-propelling hydrogel bioadhesive with procoagulant activity and rapid gelation is reported. This hydrogel combines spontaneous gas foaming and rapid Schiff base crosslinking for lethal massive hemorrhage. Hydrogels have rapid gelation and expansion rate, high self-expanding ratio, excellent antibacterial activity, antioxidant efficiency, and tissue adhesion capacity. In addition, hydrogels have good cytocompatibility, procoagulant ability, and higher blood cell/platelet adhesion activity than commercial combat gauze and gelatin sponge. The optimized hydrogel (OD-C/QGQL-A30) exhibits better hemostatic ability than combat gauze and gelatin sponge in rat liver and femoral artery bleeding models, rabbit volumetric liver loss massive bleeding models with/without anticoagulant, and rabbit liver and kidney incision bleeding models with bleeding site not visible. Especially, OD-C/QGQL-A30 rapidly stops the bleedings from pelvic area of rabbit, and swine subclavian artery vein transection. Furthermore, OD-C/QGQL-A30 has biodegradability and biocompatibility, and accelerates Methicillin-resistant S. aureus (MRSA)-infected skin wound healing. This injectable, antibacterial, self-expanding, and self-propelling hydrogel opens up a new avenue to develop hemostats for lethal massive bleeding, abdominal organ bleeding, and bleeding from coagulation lesions.

Core-Shell Structured Nanozyme with PDA-Mediated Enhanced Antioxidant Efficiency to Treat Early Intervertebral Disc Degeneration.

Early intervention during intervertebral disc degeneration (IDD) plays a vital role in inhibiting its deterioration and activating the regenerative process. Aiming at the high oxidative stress (OS) in the IDD microenvironment, a core-shell structured nanozyme composed of Co-doped NiO nanoparticle (CNO) as the core encapsulated with a polydopamine (PDA) shell, named PDA@CNO, was constructed, hoping to regulate the pathological environment. The results indicated that the coexistence of abundant Ni3+/Ni2+and Co3+/Co2+redox couples in CNO provided rich catalytic sites; meanwhile, the quinone and catechol groups in the PDA shell could enable the proton-coupled electron transfer, thus endowing the PDA@CNO nanozyme with multiple antioxidative enzyme-like activities to scavenge •O2-, H2O2, and •OH efficiently. Under OS conditions in vitro, PDA@CNO could effectively reduce the intracellular ROS in nucleus pulposus (NP) into friendly H2O and O2, to protect NP cells from stagnant proliferation, abnormal metabolism (senescence, mitochondria dysfunction, and impaired redox homeostasis), and inflammation, thereby reconstructing the extracellular matrix (ECM) homeostasis. The in vivo local injection experiments further proved the desirable therapeutic effects of the PDA@CNO nanozyme in a rat IDD model, suggesting great potential in prohibiting IDD from deterioration.

USING MATHEMATICAL MODELING TO EVALUATE THE ANTIOXIDANT ACTIVITY OF S-, Se-CONTAINING SPATIALLY HINDERED PHENOLS

In this work, regression analysis was used to evaluate the antioxidant activity of the synthesized S- and Se-containing α-methylbenzylbisphenols in comparison with the industrial antioxidant additive 2,6-ditretbutyl-4-methylphenol under similar conditions. The experimental antioxidant efficiency was calculated from the ratio of the peaks of chemiluminescent glow in vaseline oil at concentrations of 0.025–1% at 200 °C. Based on the results of calculations and experimental data, numerical dependences of the influence of concentrations – x1 (% wt.conc.), electrophilicity x2 on the antioxidant capacity (Y) of the studied additives to lubricating oils and cutting fluids were constructed in the form of nonlinear equations. The behavior of the studied compounds is analyzed and modeled, taking into account the geometric parameters of the molecules for the property under study, depending on the mass concentration. According to the research results, it was confirmed that the introduction of a methyl group into the p-position of the benzene ring of hindered phenol leads to an increase in antioxidant efficiency. The numerical method shows the effectiveness of the use of these additives in comparison with the widely used additive "Agidol-1". The obtained values of the structural parameters of the compounds calculated by the UB3LYP/6-311++G(d,p) method agree with the experimental data (with an accuracy of 81%-98.7%). The effectiveness of sterically hindered phenols is due to the presence of bulky substituents in the o-positions, which optimally shield the hydrogen of the OH group and, accordingly, the low activity of the phenoxyl radical formed in the reaction with peroxide radicals from the inhibitor. The clearly presented dependences show that Se-containing derivatives of α-methylbenzylphenol exhibit greater antioxidant efficiency and are effective inhibitors of lubricating oils and cutting fluids due to the presence of a larger number of active sites in these molecules and, therefore, interrupting a greater number of oxidation chains than molecules with a disulfide bridge.

Chitosan nanofibers encapsulating copper oxide nanoparticles: A new approach towards multifunctional ecological membranes with high antimicrobial and antioxidant efficiency

This paper focuses on the preparation of chitosan-based nanofibers embedding copper oxide nanoparticles to create multifunctional materials that meet the demands of contemporary applications. To this end, a mixture of chitosan, quaternized chitosan and poly (ethylene glycol) was used as polymeric matrix, considering their own contribution to the final material's properties and their ability to stabilize the copper oxide nanoparticles. An exhaustive investigation of the nanofibers was done in order to assess their composition and morphology (FTIR, 1H NMR, WXRD, TGA, SEM, TEM, POM, UV–vis) and to study their mechanical, antimicrobial and antioxidant properties, air and water permeability and ability for air filtration. It was shown that the copper oxide nanoparticles were anchored into the polymeric matrix via strong hydrogen bonding and electrostatic interactions, which induced the improvement of the mechanical properties and antioxidant activity. The copper oxide nanoparticles favored the thinning of the fibers during electrospinning process and improved the antibacterial activity and dust filtration capacity. Besides, the fibers displayed air permeability and vapor water transmission rate similar to synthetic nanofibers, while being biodegradable. All these performances recommend the new materials for developing antibacterial eco-materials with good breathability to be used as hygienic textiles, masks, or air filters.

Effects of Low Concentration of Glyphosate-Based Herbicide on Genotoxic, Oxidative, Inflammatory, and Behavioral Meters in Danio rerio (Teleostei and Cyprinidae).

The glyphosate herbicide is a pesticide widely used in the world and can contaminate soil, air, and water. The objective of this work was to evaluate the toxicity of a glyphosate-based herbicide (GBH) in zebrafish (Danio rerio). Fish were exposed to different concentrations of GBH (0, 50, 250, and 500 µg/L) for 96 hours. Brain, liver, and blood were collected for biochemical and genotoxicity analyses, and behavioral tests were performed. The results showed that there was a reduction in the activity of the antioxidant enzymes of catalase (CAT) and glutathione-S-transferase (GST) in the liver at all concentrations and at the highest concentration in the brain. There was also a reduction in lipid peroxidation in the liver at all concentrations of glyphosate. There was an increase in micronuclei in the blood at the 500 µg/L concentration. However, the count of nuclear abnormalities showed no differences from the control. Interleukin-1beta (IL-1β) generation was inhibited at all concentrations in the liver and at the highest concentration in the brain. No significant differences were found in the behavioral test compared to the control. The results showed that acute exposure to GBH promoted an inflammatory event, which reduced the efficiency of antioxidants, thus producing a disturbance in tissues, mainly in the liver, causing immunosuppression and generating genotoxicity.

Insights into the mechanism of a substituted metal center regulating the enzymatic activity of Prussian blue analogues for catalytic antioxidation.

Atom engineering has been demonstrated to be an efficient strategy for optimizing the activities of Prussian blue analogue (PBA)-based nanozymes. Herein, using a series of metal atom-coordinated N PBAs as models, a mechanistic insight into the effect of substituted metal centers on the antioxidant activities of PBA-based nanozymes is provided for the first time. The PBAs exhibit substituted metal atom-dependent antioxidant activities and the optimal Cu-substituted PBAs can effectively protect cells from oxidative stress. Experimental characterization reveals that the effect of low redox potential significantly improves the catalytic antioxidant efficiency. Furthermore, theoretical calculations show that the catalytic activities are well related to the magnetic moment of the adjacent Fe site, which features a linear correlation with the energy barrier of the rate-determining step or adsorption energy of the substrate, respectively. This study may inspire further exploration of PBAs and shed light on the rational design of advanced antioxidant nanozymes.