Interaction Of Oxygen Research Articles

Tuning CO2 Hydrogenation to Light Olefin Selectivity via Cu/Zn/Zr Supported on Modified SAPO‐34

AbstractTo alleviate CO2 emissions and reduce reliance on fossil fuels, a groundbreaking bifunctional catalyst system was introduced, which ingeniously merged CZZ with modified SAPO‐34 zeolite, to convert CO2 into light olefins. Different metals were impregnated into SAPO‐34 to form MeSAPO‐34 (Me = Zn, Zr, Mn) and the metal Zr content was altered. Furthermore, CZZ and MeSAPO‐34 was combined into CZZ/MeSAPO‐34 composite catalysts, which was used for CO2 hydrogenation. The MeSAPO‐34 and xZrSAPO‐34 catalysts were rigorously characterized by various techniques, revealing key physicochemical attributes. This innovative approach harnessed the synergistic effects between the metallic CZZ component and the modified zeolite to facilitate a series of reactions, effectively generating C2‐C4‐rich hydrocarbons. Benefiting from weak acid, higher oxygen vacancy concentration and interactions between components, the CZZ/ZrSAPO‐34 catalyst system has shown remarkable efficiency in enhancing the light olefin selectivity. The key aspects of this system are its ability to modulate surface acidity and oxygen vacancy concentration, thus creating favorable conditions for light olefin production via enhanced tandem reaction based on CO2 hydrogenation. This work enriches our insight into designing novel composite catalysts for promoting CO2 conversion and hence mitigating CO2 emissions.

The Generation of ROS by Exposure to Trihalomethanes Promotes the IκBα/NF-κB/p65 Complex Dissociation in Human Lung Fibroblast.

Background: Disinfection by-products used to obtain drinking water, including halomethanes (HMs) such as CH2Cl2, CHCl3, and BrCHCl2, induce cytotoxicity and hyperproliferation in human lung fibroblasts (MRC-5). Enzymes such as superoxide dismutase (SOD), catalase (CAT), and glutathione peroxidase (GPx) modulate these damages through their biotransformation processes, potentially generating toxic metabolites. However, the role of the oxidative stress response in cellular hyperproliferation, modulated by nuclear factor-kappa B (NF-κB), remains unclear. Methods: In this study, MRC-5 cells were treated with these compounds to evaluate reactive oxygen species (ROS) production, lipid peroxidation, phospho-NF-κB/p65 (Ser536) levels, and the activities of SOD, CAT, and GPx. Additionally, the interactions between HMs and ROS with the IκBα/NF-κB/p65 complex were analyzed using molecular docking. Results: Correlation analysis among biomarkers revealed positive relationships between pro-oxidant damage and antioxidant responses, particularly in cells treated with CH2Cl2 and BrCHCl2. Conversely, negative relationships were observed between ROS levels and NF-κB/p65 levels in cells treated with CH2Cl2 and CHCl3. The estimated relative free energy of binding using thermodynamic integration with the p65 subunit of NF-κB was -3.3 kcal/mol for BrCHCl2, -3.5 kcal/mol for both CHCl3 and O2•, and -3.6 kcal/mol for H2O2. Conclusions: Chloride and bromide atoms were found in close contact with IPT domain residues, particularly in the RHD region involved in DNA binding. Ser281 is located within this domain, facilitating the phosphorylation of this protein. Similarly, both ROS interacted with the IPT domain in the RHD region, with H2O2 forming a side-chain oxygen interaction with Leu280 adjacent to the phosphorylation site of p65. However, the negative correlation between ROS and phospho-NF-κB/p65 suggests that steric hindrance by ROS on the C-terminal domain of NF-κB/p65 may play a role in the antioxidant response.

Intrinsic charge manipulation for solution‐processed organic photodetectors with high sensitivity and fast response

AbstractCharge manipulation is crucial in optoelectronic devices. The unoptimized interfacial charge injection/extraction in solution‐processed bulk‐heterojunction (BHJ) organic photodetectors (OPDs) presents significant challenges in achieving high detectivity and fast response speed. Here, we first develop an approach for intrinsic charge manipulation induced by molecularly engineered donors to block electron injection and facilitate hole extraction between the indium tin oxide (ITO) transparent anode and the photoactive layer. By utilizing a polymer donor with 3,4‐ethylenedioxythiophene (EDOT) as the conjugated side chain, a polymer‐rich layer forms spontaneously on the ITO substrate due to the increased oxygen interactions between ITO and EDOT. This results in electron‐blocking‐layer (EBL)‐free devices with lower dark current and noise without a reduction in responsivity compared to control devices. As a result, the EBL‐free devices exhibit a peak specific detectivity of 2.36 × 1013 Jones at 950 nm and achieve a −3 dB bandwidth of 30 MHz under −1 V. Enhanced stability is also observed compared to the devices with poly(3,4‐ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS). This work demonstrates a new method to intrinsically manipulate charge injection in BHJ photoactive layers, enabling the fabrication of solution‐processed EBL‐free OPDs with high sensitivity, rapid response, and good stability.

Ginger powder as sustainable and eco-friendly corrosion inhibitor for the protection of steel reinforcement bars

In the present studies, ginger powder has been used as an eco-friendly admixture for the cement mortar. Different amounts i.e. 0 wt% (M1), 0.10 wt% (M2), 0.25 wt% (M3) and 0.50 wt% (M4) ginger powder was mixed in the cement mortar (M1) and assessed the durability. The ginger powder with 0.50 wt% (M4) improves the compressive strength by 17 % owing to the water reducing capability, which enhance the hydration reaction and fill the pore matrix of the cement mortar. The active ingredient of ginger powder i.e. shogaol adsorbs on the steel rebar surface through leaching mechanism by interaction of oxygen (O) and п-electrons with iron (Fe) and provide corrosion protection at longer duration of continuous immersion in 3.5 wt% NaCl solution. Following 173 d in a 3.5 wt% NaCl solution, the M4 sample exhibits 82.10 % corrosion inhibition efficiency. Therefore, it is suggested that ginger powder could be a potential eco-friendly admixture to be used in construction industries to get high durability performance in the coastal areas.

Rhodopin Incorporated into the <i>Allochromatium vinosum</i> LH2 Complex Is Able to Generate Singlet Oxygen under Illumination

DPA membranes from Allochromatium vinosum cells, in which carotenoid biosynthesis was inhibited using diphenylamine (DPA) were obtained, into which rhodopin was incorporated. The LH2 complex with rhodopin content of 85% was isolated. Using a test for the thermal stability of LH2 complexes (DPA and with incorporated rhodopin), it was established that carotenoids of the early stages of biosynthesis (≤1 molecules per complex) did not interfere with rhodopin incorporation. It was found that when the LH2 complex with incorporated rhodopin was irradiated with light at the wavelength of 502 nm, BChl850 was photobleached at a rate close to that in the control LH2 complex. This indicates that rhodopin, after being incorporated into the DPA LH2 complex, is capable of generating singlet oxygen under illumination. Previously obtained data on heterogeneity of the carotenoid composition in DPA LH2 complexes (variation in the number of individual carotenoids molecules per complex in the general population) and our earlier suggestion about the structural role of carotenoids, namely, their ability to stabilize the LH2 complexes, were confirmed. Based on analysis of our results, as well as of the literature data, the interaction of singlet oxygen and carotenoids is discussed.

Multiwalled Carbon Nanotube-Templated Nickel Porphyrin Covalent Organic Framework for Pencil-Drawn Noninvasive Respiration Sensors.

Paper-integrated configuration with miniaturized functionality represents one of the future main green electronics. In this study, a paper-based respiration sensor was prepared using a multiwalled carbon nanotube-templated nickel porphyrin covalent organic framework (MWCNTs@COFNiP-Ph) as an electrical identification component and pencil-drawn graphite electric circuits as interdigitated electrodes (IDEs). The MWCNTs@COFNiP-Ph not only inherited the high gas sensing performance of porphyrin and the aperture induction effect of COFs but also overcame the shielding effect between phases through the MWCNT template. Furthermore, it possessed highly exposed M-N4 metallic active sites and unique periodic porosity, thereby effectively addressing the key technical issue of room-temperature sensing for the respiration sensor. Meanwhile, the introduction of a pencil-drawing approach on common printing papers facilitates the inexpensive and simple manufacturing of the as-fabricated graphite IDE. Based on the above advantages, the MWCNTs@COFNiP-Ph respiration sensor had the characteristics of wide detection range (1-500 ppm), low detection limit (30 ppb), acceptable flexibility for toluene, and rapid response/recovery time (32 s/116 s). These advancements facilitated the integration of the respiration sensor into surgical masks and clothes with maximum functionality at a minimized size and weight. Moreover, the primary internal mechanism of COFNiP-Ph for this efficient toluene detection was investigated through in situ FTIR spectra, thereby directly elucidating that the chemisorption interaction of oxygen modulated the depletion layers, resulting in alterations in sensor resistance upon exposure to the target gas. The encouraging results revealed the feasibility of employing a paper-sensing system as a wearable platform in green electronics.

Singlet Oxygen in Photodynamic Therapy.

Photodynamic therapy (PDT) is a therapeutic modality that depends on the interaction of light, photosensitizers, and oxygen. The photon absorption and energy transfer process can lead to the Type II photochemical reaction of the photosensitizer and the production of singlet oxygen (1O2), which strongly oxidizes and reacts with biomolecules, ultimately causing oxidative damage to the target cells. Therefore, 1O2 is regarded as the key photocytotoxic species accountable for the initial photodynamic reactions for Type II photosensitizers. This article will provide a comprehensive review of 1O2 properties, 1O2 production, and 1O2 detection in the PDT process. The available 1O2 data of regulatory-approved photosensitizing drugs will also be discussed.

Tannic Acid-Enabled Antioxidant and Stretchable MXene/Silk Strain Sensors for Diving Training Healthcare.

MXene-based conductive hydrogels hold significant promise as epidermal sensors, yet their susceptibility to oxidation represents a formidable limitation. This study addresses this challenge by incorporating MXene into a tannic acid (TA) cross-linked silk fibroin matrix. The resulting conductive hydrogel (denoted as e-dive) exhibits favorable characteristics such as adjustable mechanical properties, self-healing capabilities (both mechanically and electrically), and strong underwater adhesion. The existence of a percolation network of MXene within the nanocomposites guarantees good electrical conductivity. Importantly, the surface interaction of MXene nanosheets with the hydrophobic moiety from TA substantially reduced moisture and oxygen interactions with MXene, thereby effectively mitigating MXene oxidation within hydrogel matrices. This preservation of the electrical characteristics ensures prolonged functional stability. Furthermore, the e-dive demonstrates inherent antibacterial properties, making it suitable for use in underwater environments where bacterial contamination is a concern. The utilization of this advanced e-dive system extends to the correction of diving postures and the facilitation of underwater healthcare and security alerts. Our study presents a robust methodology for enhancing the stability of MXene-based conductive hydrogel electronics, thereby expanding their scope of potential applications.

Transition State Stabilizing Effects of Oxygen and Sulfur Chalcogen Bond Interactions.

Non-covalent chalcogen bond (ChB) interactions have found utility in many fields, including catalysis, organic semiconductors, and crystal engineering. In this study, the transition stabilizing effects of ChB interactions of oxygen and sulfur were experimentally measured using a series of molecular rotors. The rotors were designed to form ChB interactions in their bond rotation transition states. This enabled the kinetic influences to be assessed by monitoring changes in the rotational barriers. Despite forming weaker ChB interactions, the smaller chalcogens were able to stabilize transition states and had measurable kinetic effects on the rotational barriers. Sulfur stabilized the bond rotation transition state by as much as -7.2 kcal/mol without electron-withdrawing groups. The key was to design a system where the sulfur -hole was aligned with the lone pairs of the chalcogen bond acceptor. Oxygen rotors also could form transition state stabilizing ChB interactions but required electron-withdrawing groups. For both oxygen and sulfur ChB interactions, a strong correlation was observed between transition state stabilizing abilities and electrostatic potential (ESP) of the chalcogen, providing a useful predictive parameter for the rational design of future ChB systems.

Catalytic activity of MoO3:V2O5 mixed oxides towards oxidation reactions: the nature of catalytic centers

Singlet oxygen emission and peroxide generation at the surface of molybdenum–vanadium oxides evidenced that the catalytic activity of a MoO3:V2O5 mixed oxide at 70–175 °C was governed by the formation of peroxo groups in the interaction of molecular oxygen with adjacent Viv surface centers; the thermolysis of these groups yielded singlet oxygen capable of oxidizing selectively alcohols to aldehydes.

From Lab to Clinic: The Potential of Nanobubble Ozone Stored in Liposome with Pantothenic Acid (NOSLIP) in Treating Vaginal Infections with Long-lasting Effectiveness

Every year, 5-10 million women apply to various centers for sexually transmitted diseases due to infectious vaginitis (1). The three most notable causes of infectious vaginitis are bacterial vaginosis (BV), trichomoniasis, and vulvovaginal candidiasis (VVC). BV and VVC, which are endogenous genital infections, are the agents most responsible for the etiology of vaginal discharge (2). The most common symptoms of infectious vaginitis are vaginal discharge, itching, and a burning sensation. However, some cases are asymptomatic and are untreated (3). Group B streptococci (Streptococcus agalactiae; GBS) are gram-positive encapsulated bacteria that can colonize the intestinal and vaginal flora in 10-30% of healthy adults (4). Streptococcus agalactiae causes serious infections such as meningitis, sepsis, skin and soft tissue infections, pneumonia, urinary tract infections, and postpartum endometritis in newborns, pregnant women and adults with underlying diseases (4-6). Ozone is a highly reactive form of oxygen composed of three oxygen atoms. It is generated through the interaction of UV light and high-pressure diatomic oxygen. Ozone is widely acknowledged for its potent antibacterial properties due to its strong oxidative nature. Ozone therapy has garnered growing interest in recent years and is widely recognized for its beneficial impact on infection, reperfusion injury, cancer, and dental caries (7-8). At present, ozone therapy is an emerging approach in the clinical management of vaginitis. The medical ozone therapy device utilizes an ozone generator to produce a specific concentration of ozone, which is subsequently combined with filtered tap water to create ozonated water. Ozone and reactive chemicals exist in a liquid state and have a significant impact on vaginal sterilization (9).

Menadione sodium bisulfite as an efficient anti-corrosion additive for mild steel in acid corrosion: Electrochemical, surface morphological and theoretical studies

The corrosion inhibition behavior of Menadione Sodium Bisulfite (MSB) in 1.0 M HCl medium was evaluated using weight loss, electrochemical techniques (Tafel polarisation and Electrochemical impedance spectra), surface analysis (SEM and EDX), Density Functional Theory (DFT), Noncovalent interaction- Reduced Density Gradient (NCI-RDG) and Monte Carlo (MC) simulation techniques. Weight loss measurement showed that as inhibitor concentration increased, the corrosion rate decreased which means that a protective film formed on the metal surface. At 300 ppm, the inhibitor showed a maximum inhibition efficiency of 89.7 %. Tafel polarisation studies indicate that the inhibitor is mixed-type in nature. The inhibitor adsorption on the mild steel is the best fit for the Langmuir isotherm model. As the weak interaction of sodium and oxygen in the inhibitor molecules, the inhibitor exhibits two distinct equilibrium behaviors. (i) inhibitor with sodium (solid-state) and inhibitor without sodium (in liquid-state). These two behaviors were theoretically investigated using DFT and MD simulation studies. The inhibitor and metal interaction is further supported using these theoretical studies. The electron population of the inhibitor was analyzed using molecular electrostatic potential, NCI-RDG, Fukui function, and natural bond orbital analysis. These studies further give an understating of the inhibitor and metal interactions.

Investigating the properties of ortho-positronium in liquid scintillators under oxygen quenching

Investigating the mechanism of positron annihilation in liquid-scintillator based neutrino experiments could be helpful for positron reconstruction algorithms and positron-electron discrimination analysis. Based on this, we utilize a novel positron annihilation lifetime spectrometer to characterize a series of liquid scintillator samples without direct contact with the positron source by applying the anti-coincidence method, which facilitates the measurement of liquids with high accuracy and low background. We obtain an ortho-positronium (o-Ps) lifetime value of 3.02 ns for liquid scintillators composed of linear alkylbenzene and two solutes, and we also measure liquid scintillator samples by bubbling different gases to study the interaction of oxygen dissolved with positronium. The discussion of the annihilation behavior of o-Ps in liquid scintillators further clarify the factors affecting the lifetime and intensity of o-Ps, and the calculation of annihilation rate and free volume radius within the samples has potential applications in characterizing gas solubility and free volume in liquids with o-Ps as probe.

Investigation of the effects of scale and cure environment on the properties of vinyl ester polymer

This work involves the study of the cure kinetics of a commercial bisphenol-epoxy vinyl ester resin as a function of sample thickness and environment atmosphere. It has been previously suggested that cured vinyl ester polymer is a diphasic material consisting of a lower Tg styrene phase and a higher Tg vinyl ester phase. The cure kinetics of each phase have been observed to have a significant effect on the thermal properties of the system, such as the degree of crosslinking, glass transition temperature and final conversion. DSC, DMA and FTIR were employed to characterize two vinyl ester resin systems and study the material property transferability from macroscale to microscale. The effect of reduced styrene content on resin curing and polymer thermal behaviour was studied. The effect of oxygen interaction during initial cure was investigated at both microscale and macroscale and found to have a significant effect on final polymer performance.

Achieving High Efficiency and Stability by Blocking Moisture‐Oxygen Permeation Paths on Perovskite Surfaces Using the Curing Agent 4‐(2‐Carboxyvinyl) Benzoic Acid

Organic–inorganic hybrid perovskite solar cells (PSCs) are ideal candidates for the new generation of photovoltaics (PV) due to their excellent physical and chemical properties. However, the active layer of perovskite may have many defects such as vacancies, interstitials, and substitutions during the solution method preparation process. The defects in films can become fast channels for moisture‐oxygen penetration, which promotes the interaction of moisture and oxygen with the defects and accelerates the degradation of PV in air, significantly limiting the efficiency and stability of PSCs. Herein, the curing agent 4‐(2‐carboxyvinyl) benzoic acid is added to the perovskite precursor solution to enhance the device stability by forming a moisture‐oxygen‐blocking barrier at the grain boundaries, at the same time, the Lewis base property of the molecule plays a key role to realize the preferred crystal orientation of perovskite films, passivate the defects and enhance the PV performance, which can significantly improve the devices efficiency. The final optimized PSCs achieve an outstanding power conversion efficiency of 20.28% and show excellent stability, with the unencapsulated device maintaining 78% of its initial efficiency after 1000 h of under ambient environment.

Strain‐Stiffening, Robust yet Compliant Ionic Elastomer from Highly Entangled Polymer Networks and Metal–Oxygen Interactions

AbstractIon‐conductive elastomers have emerged as ideal candidates for ionic skin and wearable devices due to their intrinsic stretchability and excellent electrical properties. Despite continuous efforts in this field, strain‐stiffening, robust yet compliant ionic elastomers are still unattainable due to the limited intermolecular interactions, restricting their reliability and durability in practical applications. Inspired by the interwoven collagen fiber network and synergistic non‐covalent interaction in the dermis, an immense strain‐stiffening, ultra‐stretchable, highly tough, and elastic ionic elastomer are reported by introducing the metal–oxygen interactions into the highly entangled network. The ionic elastomers also show intriguing self‐healing ability, high adhesion, and environmental tolerance, contributed by the dynamic synergistic noncovalent interactions. The prepared ionic skin displays sensitive and stable responses to temperature and strain. This work demonstrates a new design strategy for fabricating high‐performance ionic elastomers with excellent mechanical and electrical properties, showing great prospects in wearable and flexible devices.

Thermodynamic model for deoxidation of liquid steel considering strong metal–oxygen interaction in the quasichemical model framework

Thermodynamic model for deoxidation of liquid steel considering strong metal–oxygen interaction in the quasichemical model framework

Localisation of vibrational modes in high-entropy oxides

The recently-discovered high-entropy oxides (HEO’s) offer a paradoxical combination of crystalline arrangement and high disorder. They differ qualitatively from established paradigms for disordered solids such as glasses and alloys. In these latter systems, it is well known that disorder induces localised vibrational excitations. In this article, we explore the possibility of disorder-induced localisation in Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O, the prototypical HEO with rock-salt structure. To describe phononic excitations, we model the interatomic potentials for the cation–oxygen interactions by fitting to the physical properties of the parent binary oxides. We validate our model against the experimentally determined crystal structure and optical conductivity. The resulting phonon spectrum shows wave-like propagating modes at low energies and localised modes at high energies. Localisation is reflected in signatures such as participation ratio and correlation amplitude. Finally, we argue that mass disorder can be increased to enhance localisation. We consider a hypothetical material, high-entropy telluride-oxide, where tellurium atoms are admixed into the anion sublattice. This shows a larger localised fraction, with additional localised modes appearing in the middle of the spectrum. Our results demonstrate that HEO’s are a promising platform to study Anderson localisation of phonons.

CO and O2 Interaction with Kinked Pt Surfaces.

We investigate the chemical interaction of carbon monoxide (CO) and oxygen (O2) with kink atoms on steps of platinum crystal surfaces using a specially designed Pt curved sample. We aim at describing the fundamental stages of the CO oxidation reaction, i.e., CO-covered/poisoned stage and O-covered/active stage, at the poorly known kinked Pt facets by probing CO uptake/saturation and O2 saturation, respectively. Based on the systematic analysis that the curved surface allows, and using high-resolution X-ray photoemission, a diversity of terrace and step/kink species are straightforwardly identified and accurately quantified, defining a smooth structural and chemical variation across different crystal planes. In the CO-saturated case, we observe a preferential adsorption at step edges, where the CO coverage reaches a CO molecule per step Pt atom, significantly higher than their close-packed analogous steps with straight terrace termination. For the O-saturated surface, a significantly higher O coverage is observed in kinked planes compared to the Pt(111) surface. While the strong adsorption of CO at the kinked edges points toward a higher ignition temperature of the CO oxidation at kinks as compared to terraces, the large O coverage at steps may lead to an increased reactivity of kinked surfaces during the active stage of the CO oxidation.

Study on High-Temperature, Ultra-Low Wear Behaviors of Ti6Al4V Alloy with Thermal Oxidation Treatment

Thermal oxidation (TO) is a simple and economical way to enhance the wear resistance of the Ti6Al4V alloy. The TO temperature has a very important effect on the tribological properties of the TiO2 layer formed. However, the impact of the oxidation temperature on the high-temperature tribological behavior of a TO-treated Ti6Al4V alloy is not clear. Therefore, the Ti6Al4V alloy was oxidized at 400 °C, 600 °C, and 700 °C for 36 h, and the sliding friction experiments were conducted at room temperature (RT) and 400 °C with a Si3N4 ball as the counter body to comparatively study the effect of the oxidation temperature on the high-temperature friction behavior of the TO-treated Ti6Al4V alloy. The results show that the TO treatment can effectively improve the wear resistance of the samples at both room and high temperatures. Among them, the oxidation-treated samples at 700 °C show the best wear resistance, with a reduction of 92.6% at high temperatures; the amount of wear loss at room temperature was so small that it was almost incalculable. At room temperature, the friction surface formed uneven agglomerate formations, resulting in an elevated coefficient of friction (CoF) compared to the untreated samples. At a high temperature, however, the CoF is reduced compared to the untreated samples due to the formation of a homogeneous transfer film in the wear area that is caused by the interaction of Si3N4 and oxygen.