Hydrogen evolution reaction (HER) is one of the most important reaction in electrochemistry. This is not only because it is the simplest way to produce high purity hydrogen and the fact that it is the side reaction in many other technologies. HER actually shaped current electrochemistry because it was in focus of active research for so many years (and it still is). The number of catalysts investigated for HER is immense, and it is impossible to overview them all. In fact, it seems that the complexity of the field overcomes the complexity of HER. The aim of this review is to point out some of the latest developments in HER catalysis, current directions and some of the missing links between a single crystal, nanosized supported catalysts and, recently emerging, single atom catalysts for HER

Understanding the catalytic performance of different materials is of crucial importance for further technological advancements. This especially relates to the behavior of different classes of catalysts under operating conditions. Here we analyze the effects of local coordination of metal centers (Mn, Fe, Co) in graphene-embedded Single-Atom Catalysts (SACs). We have started from well-known M@N4-graphene catalysts and systematically replaced nitrogen atoms with oxygen or sulfur atom to obtain M@OxNy-graphene and M@SxNy-graphene SACs (x+y=4). We show that local coordination strongly affects the electronic structure and the reactivity towards hydrogen and oxygen species. However, the stability is even more affected. Using the concept of Pourbaix plots, we show that the replacement of nitrogen atoms coordinating metal center with O or S destabilizes SACs towards the dissolution, while the metal centers get easily covered by O and OH acting as additional ligands at high anodic potentials and high pH values. Thus, not only should local coordination be considered in terms of the activity of SACs, but it is also necessary to consider its effects on the speciation of SACs' active centers under different potential and pH conditions.

Recent advances in single-atom catalysis resulted in readily accessible materials whose application in most catalytic reactions mediated by conventional nanoparticle-based catalysts often results in higher activity and selectivity. Can we expect catalysis by atomically dispersed atoms to find practical applications? Which are the hurdles to be overcome prior to widespread uptake of atomically dispersed metals in industrial synthetic processes and in hydrogen fuel cells?

Electrocatalytic and photocatalytic hydrogen evolution reaction (HER) provides a promising approach to clean energy generation. Bimetallic single-atom catalysts raised and have been explored to be advanced catalysts for HER. It is urgent to review and summarize the recent advances in developing bimetallic single-atom HER catalysts. Firstly, the fundamentals of bimetallic single-atom catalysts are presented, highlighting their unique configuration of two isolated metal atoms on supports and resultant synergistic effects. Secondly, recent advances in bimetallic single-atom catalysts for electrocatalytic HER under acidic/alkaline conditions are then reviewed, including W-Mo, Ru-Bi, Ni-Fe, Co-Ag, and other dual-atom systems on graphene and transition metal dichalcogenides (TMDs) with enhanced HER activity versus monometallic analogs due to geometric and electronic synergies. Then, Photocatalytic bimetallic single-atom catalysts on semiconducting carbon nitrides for solar H2 production are also discussed. Finally, an outlook is provided on opportunities and challenges in precisely controlling bimetallic single-atom catalyst synthesis and gaining in-depth mechanistic insights into bimetallic interactions.

The accurate classification of landfill waste diversion plays a critical role in efficient waste management practices. Traditional approaches, such as visual inspection, weighing and volume measurement, and manual sorting, have been widely used but suffer from subjectivity, scalability, and labour requirements. In contrast, machine learning approaches, particularly Convolutional Neural Networks (CNN), have emerged as powerful deep learning models for waste detection and classification. This paper analyses VGG-16, InceptionResNetV2, DenseNet121, Inception V3, and MobileNetV2 models to classify real-life waste when trained on pristine and unadulterated materials, versus samples collected at a landfill site. When training on DiversionNet, the unadulterated material dataset with labels required for landfill modelling, classification accuracy was limited to 49.69% in the real environment. Using real-world samples in the newly formed RealWaste dataset showed that practical applications for deep learning in waste classification is possible, with Inception V3 reaching 89.19% classification accuracy on the full spectrum of labels required for accurate modelling.

Transition-metal-free synthesis of 4-pyrones via TfOH-promoted nucleophilic addition/cyclization of diynones and water has been developed. This transformation is simple, atom economical and environmentally benign, providing rapid and efficient access to substituted 4-pyrones.

Nanoparticles of platinum-group metals (PGM) on carbon supports are widely used as catalysts for a number of chemical and electrochemical conversions on laboratory and industrial scale. The newly emerging field of single atom catalysis focuses on the ultimate level of metal dispersion, i.e. atomically dispersed metal species anchored on the substrate surface. However, the presence of single atoms in traditional nanoparticle-based catalysts remains largely overlooked. In this work we use aberration-corrected scanning transmission electron microscope to investigate four commercially available nanoparticle-based PGM/C catalysts (PGM = Ru, Rh, Pd, Pt). We show that in addition to nanoparticles, single atoms are also present on the surface of carbon substrates. These observations raise questions about the role that single atoms play in conventional nanoparticle PGM/C catalysts. We critically discuss the observations with regard to the quickly developing field of single atom catalysis.

The performance of the absolute atom gravimeters used on moving platforms, such as vehicles, ships and aircrafts, is strongly affected by the vibration noise. To suppress its influence, we summarize a vibration compensation method utilizing data measured by a classical accelerometer. The measurements with the accelerometer show that the vibration noise in the vehicle can be 2 order of magnitude greater than that in the lab during daytime, and can induce an interferometric phase fluctuation with a standard deviation of 16.70π. With the compensation method, our vehicle-mounted atom gravimeter can work normally in these harsh conditions. Comparing the Allan standard deviations before and after the vibration noise correction, we find a suppression factor of 22.74 can be achieved in static condition with an interrogation time of T = 20 ms, resulting a sensitivity of 1.35 mGal/Hz1/2, and a standard deviation of 0.5 mGal with an average time of 10 s. We also demonstrate the first test of an atom gravimeter in a moving vehicle, in which a suppression factor of 50.85 and a sensitivity of 60.88 mGal/Hz1/2 were realized with T = 5 ms.

Due to increasing concerns about global warming and energy crisis, intensive efforts have been made to explore renewable and clean energy sources. Single-atom metals and two-dimensional (2D) nanomaterials have attracted extensive attention in the fields of energy and environment because of their unique electronic structures and excellent properties. In this review, we sum-marize the state-of-art progress on the single-atom metal supported at 2D MoS2 (single-atom metal/2D MoS2) for electrochemical CO2 reduction and water splitting. First, we introduce the advantages of single-atom metal/2D MoS2 catalysts in the fields of electrocatalytic CO2 reduction and water splitting, followed by the strategies for improving electrocatalytic performances of single-atom metal/2D MoS2 hybrid nanomaterials and the typical preparation methods. Further, we discuss the important applications of the nanocomposites in electrocatalytic CO2 reduction and water splitting via some typical examples, particularly focusing on their synthesis routes, modification approaches, and physiochemical mechanisms for improving their electrocatalytic performances. Finally, our perspectives on the key challenges and future directions of exploring high-performance metal single-atom catalysts are presented based on recent achievements in the development of single-atom metal/2D MoS2 hybrid nanomaterials.

Surface initiated atom transfer radical polymerization (SI-ATRP) is one of the most versatile technique to modify the surface properties of material. Recent developed metal free SI-ATRP makes such technique more widely applicable. Herein photo-induced metal-free SI-ATRP of methacrylates, such as methyl methacrylate, N-isopropanyl acrylamide, and N,N- dimethylaminoethyl methacrylate, on the surface of SBA-15 was reported to fabricate organic-inorganic hybrid materials. SBA-15 based polymeric composite with adjustable graft ratio was obtained. The structure evolution during the SI-ATRP modification of SBA-15 was monitored and verified by FT-IR, XPS, TGA, BET, and TEM. The obtained polymeric composite showed enhanced adsorption ability for the model compound toluene in aqueous. This procedure provides a low cost, ready availability, and facile modification way to synthesize the polymeric composites without the contamination of metal.

The composites of heteropolyacids (H3PW12, H3PMo12) incorporated into amine-functionalized silica materials, were used for the first time as heterogeneous catalysts in the valorisation of glycerol (a large waste from biodiesel industry) by acetalization reaction with acetone. The polyoxotungstate catalyst H3PW12@AptesSBA-15 presented higher catalytic efficiency than the phosphomolybdate, with 97% of conversion with 97% of solketal selectivity, after 60 min at 25 °C, or 91% of glycerol conversion and the same selectivity, after 5 min, performing the reaction at 60 ºC. A relation of catalytic performance and acidity of the catalyst is here presented. Furthermore, the stability of the solid catalyst was investigated and discussed.

In this research, catalytic steam reforming acetic acid derived from the aqueous portion of bio-oil for hydrogen production was investigated by using different Ni/ATC (Attapulgite Clay) catalysts prepared by precipitation, impregnation and mechanical blending methods. The fresh and reduced catalysts were characterized by XRD, N₂ adsorption-desorption, TEM and H₂-TPR. The comprehensive results demonstrated that the interaction between active metallic Ni and ATC carrier was significantly improved in Ni/ATC catalyst prepared by precipitation method, and in which the mean Ni particle size was the smallest (~13 nm) resulted in the highest metal dispersion (7.5%). The catalytic performance of the three catalysts was evaluated through the process of steam reforming of acetic acid in a fixed-bed reactor under atmospheric pressure at two different temperatures, such as 550 ℃ and 650 ℃. Results showed that the Ni/ATC (PM-N/ATC) prepared by precipitation method, achieved the highest H₂ yield of ~82% and little lower acetic acid conversion efficiency of ~85% than that (~95%) of Ni/ATC (IM-NATC) prepared by impregnation method. In addition, the deactivation catalysts after reaction for 4 h were analyzed by XRD, TGA-DTG and TEM, which demonstrated that the catalyst deactivation was not caused by the amount of carbon deposition, but owed to the significant agglomeration and sintering of Ni particles in the carrier.

Owing to the growing concerns due to dwindling fossil fuel reserves, increasing energy demand and climate emergency, it is imperative to develop and deploy sustainable energy technologies to ensure future energy supply as well as transition to the net zero world. In this context, there is great potential in the biorefinery concept for supplying drop in biofuels in the form of biodiesel. Biodiesel as a fuel can certainly bridge the gap where electrification or the use of hydrogen is not feasible, for instance heavy vehicles, farm and marine transportation sector. However, biodiesel industry also leads to formation of large amount of crude glycerol as the byproduct. Crude glycerol due to presence of several impurities may not be a suitable feedstock for all high value products derived from glycerol but fits well with glycerol esterification for producing glycerol acetins, which have numerous applications. This review critically looks at the processes using nanostructured solid/liquid acid catalysts for glycerol esterification including the economic viability of the scale up.

Abstract: The biological process of photosynthesis was critical in catalyzing the oxygenation of Earth’s atmosphere 2.5 billion years ago, changing the course of development of life on Earth. Recently, the fields of applied and synthetic photosynthesis have utilized the light-driven protein-pigment supercomplexes central to photosynthesis for the photocatalytic production of fuel and other various valuable products. The reaction center Photosystem I is of particular interest in applied photosynthesis due to its high stability post-purification, non-geopolitical limitation, and its ability to generate the greatest reducing power found in Nature. These remarkable properties have been harnessed for the photocatalytic production of a number of valuable products in the applied photosynthesis research field. These primarily include photocurrents and molecular hydrogen as fuels. The use of artificial reaction centers to generate substrates and reducing equivalents to drive non-photoactive enzymes for valuable product generation has been a long-standing area of interest of the synthetic photosynthesis research field. In this review, we cover advances in these areas and further speculate synthetic and applied photosynthesis as photocatalysts for the generation of valuable products.

This review summarizes experimental and theoretical studies of transition metal complexes with two types of novel metal-carbon bonds. One type features complexes with carbones CL2 as ligands, where the carbon(0) atom has two electron lone pairs which engage in double (σ and π) donation to the metal atom [M] CL2. The second part of this review reports complexes which have a neutral carbon atom C as ligand. Carbido complexes with naked carbon atoms may be considered as endpoint of the series [M]-CR3 → [M]-CR2 → [M]-CR → [M]-C.

β-Ga2O3 is a well-known semiconductor material for power devices and other applications. Recently, β-Ga2O3 has also been reported as a scintillator material with a light yield of approximately 8400 ph./MeV, scintillation decay time of <1 μs, and density of 6.44 g/cm3. In this study, 2-inch diameter β-Ga2O3 single crystals were prepared by oxide crystal growth using the cold crucible (OCCC) method under various oxygen partial pressures. In the OCCC method, as in the cold crucible method, a high frequency is applied directly to the oxide materials, which are heated and melted, and the melt is held by the outermost solid material itself that is cooled by water using a copper hearth. In the OCCC method, crystal growth is performed while rotating the seed crystal, as in the Czochralski method, to increase the crystal diameter. The optical properties and radiation responses of the crystals grown under various oxygen partial pressures were evaluated.

Objective: The aim of our study was to perform a retrospective analysis of the volume of cervical screening tests, the number of patients treated with an excision method, and the incidence of invasive and non-invasive cervical during a pandemic and pre-pandemic period of 24 months. Results: There was a statistically significant age difference between the two study periods, both by the average age of patients and by age group. The mean difference was 32 years before the pan-demic and 35 years during the pandemic (p-value >0.05). The majority of patients presenting for investigations before and during the pandemic were in the 30-39-year-old age group (31.95%, respectively; 34.2% (p-value = 0.003). The biggest patient loss ratio identified by age group was in the 50–59 years: 14,53% in the pre-pandemic period and 9,1% in the pandemic period. In the pan-demic period, patients from rural areas presented in the clinical trial with a lower rate of 39.52% (83 patients) vs. 60.47% (127 patients) in urban areas. A higher percentage of patients experiencing cervicorrhagia as a clinical manifestation in the pandemic period vs. the prepandemic period, with an increase in more severe lesions in the pandemic period, has a statistical significance of 8% more newly diagnosed compared to the pre-pandemic period. Conclusion: The addressability of the patients during the COVID period was not affected in a drastic way in our study. We encountered a decrease in appointments in the age group 50–59 years and a decrease in patients with rural residence. In our study, we found an increase in cervicorrhagia as a reason for consultation in the pandemic period with a higher lesion degree, both on a pap smear and on a cervical biopsy.

Background: The validation of laser usage during laparoscopic procedures, notably by Camran Nezhat in the late 1980s, has been significant. Lasers offer precision and depth control in tissue vaporization without bleeding. Surgical intervention remains central in managing endometrio-sis-associated pain and infertility, especially for patients unresponsive to hormonal therapy. Methods: This retrospective cohort study included 200 patients with SPE who underwent laparo-scopic laser vaporization. Surgery was performed using a CO2 laser, and histological confirma-tion of endometriosis was obtained for all cases. Pain scores and SF-36 questionnaire domains were assessed preoperatively and postoperatively. Fertility outcomes were evaluated among pa-tients desiring pregnancy. Results: Significant improvements in pain score and SF-36 questionnaire domains were ob-served postoperatively (p-value

Hydrogen is considered as an ideal substitute to the traditional fossil fuels because of its widespread sources, high calorific value of combustion, and zero carbon emissions. The electrocatalytic water-splitting to produce hydrogen is also deemed to be the best approach, however, it is a challenge to make high-efficient and low-cost electrocatalysts. Single-atom catalysts (SACs) are considered the most promising candidate to replace the traditional noble-metal catalysts. Compared with SACs, the dual-atom catalysts (DACs) are of greater attraction including higher metal loading, more versatile active sites, and excellent catalytic activity. In the review, several general synthetic strategies and structural characterization methods of DACs are introduced, and the mechanisms of hydrogen evolution reaction (HER) and oxygen evolution reactions (OER) are discussed. The authors hope that the review has given some insights and inspiration to the researchers about DACs in electrocatalytic water-splitting.

In this paper only one basic assumption has been made: if we try to describe black holes, their behavior should be understood in the same language as the one we use for particles; black holes should be treated just like atoms. They must be quantum forms of matter, moving in accordance with Schrödinger equations just like everything else. In particular, Rosen’s quantization approach to the gravitational collapse is applied in the simple case of a pressureless “star of dust” by finding the gravitational potential, the Schrödinger equation and the solution for the collapse’s energy levels. By applying the constraints for a Schwarzschild black hole (BH) and by using the concept of BH effective state, previously introduced by one of the authors (CC), the BH quantum gravitational potential, Schrödinger equation and the BH energy spectrum are found. Remarkably, such an energy spectrum is in agreement (in its absolute value) with the one which was conjectured by Bekenstein in 1974 and consistent with other ones in the literature. This approach also permits to find an interesting quantum representation of the Schwarzschild BH ground state at the Planck scale. Moreover, two fundamental issues about black hole quantum physics are addressed by this model: the area quantization and the singularity resolution. As regards the former, a result similar to the one obtained by Bekenstein, but with a different coefficient, has been found. About the latter, it is shown that the traditional classical singularity in the core of the Schwarzschild BH is replaced, in a full quantum treatment, by a two-particle system where the two components strongly interact with each other via a quantum gravitational potential. The two-particle system seems to be non-singular from the quantum point of view and is analogous to the hydrogen atom because it consists of a “nucleus” and an “electron”.

Monolayered MoS₂ is energetically most stable when it has a 1H phase, but 1H to 1T phase transition (1H→1T) is easily realized by various ways. Even though magnetic moment is not observed during 1H1T, 0.049 µB/MoS₂ is obtained in local 1T phase; 75% 2H and 25% 1T phases are mixed in (2×2) supercell. Furthermore, non-negligible magnetocrystalline anisotropy (MCA) energy is occured. Most magnetic moment as well as MCA are originated by 1T phased Mo atom5 in the supercell, while electronic structures of other atoms are similar to non-magnetic. Due to this, magnetic/non-magnetic boundary is created in the monolayered MoS2. Our result suggests that MoS₂ can be applied for spintronics such as a spin transistor.

The speed-density or flow-density relationship is a fundamental aspect of traffic flow theory. Single-regime models often face challenges in consistently fitting empirical data under diverse traffic conditions. This paper addresses the inaccuracies of single-regime models, attributing them not only to their functional forms but also to data dispersion and sample selection bias. To mitigate these issues, the data is segmented into day and night periods, leading to the creation of separate models for each. Calibration results, conducted on data from two freeways, Tehran-Karaj and Tehran-Qom, reveal distinct challenges, with the former exhibiting high dispersion and the latter showing low dispersion. Surprisingly, single-regime models demonstrate notable effectiveness when applied to distinct day and night data. Further analysis, categorizing data into day and night, results in reduced errors (20-60% improvement in R-Square), emphasizing the potential for enhanced accuracy by considering distinct regimes. Overall, the study underscores the significance of regime-specific considerations for accurate traffic flow modeling. Upon thorough evaluation, the study highlights the superiority of the neural network Multi-layer Perceptron (MLP) over traditional models. The research discusses the implications of incorporating day and night parameters into the models, emphasizing their potential for accuracy enhancement.

In the recent years, tubular nanostructures have been related with immense advances in various fields of science and technology. Considerable research efforts have been centered on the theoretical prediction and manufacturing of non-carbon nanotubes (NTs), which meet modern requirements for the developing of novel devices and systems. In this context, diatomic inorganic nanotubes formed by atoms of elements from the 13th group of the periodic table (B, Al, Ga, In, Tl) and nitrogen (N), have received much research attention. In the present work, the elastic properties of single-walled boron nitride, aluminium nitride, gallium nitride, indium nitride and thallium nitride nanotubes were numerically evaluated using the nanoscale continuum modelling approach (also called molecular structural mechanics). The elastic properties (rigidities, surface Young´s and shear moduli, and Poisson´s ratio) of nitride nanotubes are discussed with respect to the bond length of the corresponding diatomic hexagonal lattice. The results obtained contribute to a better understanding of the mechanical response of nitride compound-based nanotubes, covering a broad range from the well-studied boron nitride NTs to the hypothetical thallium nitride NTs.

Mn-promoted bulk iron catalysts with high specific surface area (82-211 m2.g-1) were synthesized by coprecipitation followed by drying under supercritical conditions. The catalysts were tested in the CO2 hydrogenation reaction. The Mn-promoted iron catalysts showed better textural properties than the bare Fe2O3 catalyst, allowing better dispersion of the active phase, easier reduction of iron oxide, better carburization of iron oxides and higher catalytic activity than the bare Fe2O3 catalyst. The best activity results were obtained by catalyst promotion with a very low amount of Mn (Mn/Fe ratio of 0.05). Upon steady-state conditions (T=340 ºC, total pressure of 20 bar and H2/CO2=3), this catalyst showed high CO2 conversion (44.2%) and selectivity to C2-C4 hydrocarbons (68%, olefin to paraffin ratio of 0.54), while the selectivity to C5+ hydrocarbons, CH4 and CO was about 3.2, 38.5 and 5%, respectively. A close correlation was found between catalyst textural properties and CO2 conversion. The most active MnFe-0.05 catalyst shows high stability during 72 h of reaction related to low amount of soft coke formation and catalyst activation through the formation of χ-Fe5C2 phase during the on-stream reaction.

The Imbalance Cost Pass-Through (ICPT) is a flexible component of the Incentive Regulation (IBR) that empowers power producers to adjust tariffs in response to variable fuel prices, thereby enhancing the economic resilience of electricity generation. However, the cost of electricity generation is significantly influenced by the volatility of commodity prices, including coal, gas and LNG. In Malaysia, the Energy Commission has conducted biannual reviews of fuel and other generation costs. Any cost savings or increases identified during these reviews will be passed on to customers in the form of rebates or surcharges. Due to that reason, this study proposes ICPT price forecasting for the electricity market in Peninsular Malaysia. The study aims to construct an ICPT-related baseline model for the peninsular generation data by employing three forecasting methods. The forecasting performance is analysed by a Mean Absolute Percentage Error (MAPE). In findings, the ARIMA method is one of the most accurate forecasting methods for fuel prices compared to the Moving Average (MA) and LSSVM methods. The observed price differences between the ARIMA and LSSVM models for ICPT are minimal. The ICPT price for July-December 2022 and January-June 2023 is MYR 0.21/ kWh for ARIMA and MYR 0.18/kWh for LSSVM, which are close to the actual TNB’s ICPT tariff. As for the forecasting, the ICPT price is expected to drop for the next announcement. The findings of this study may contribute to a positive impact on the sustainability of the energy sector in Malaysia.

We study the atom-field interaction at finite temperature and in the dispersive regime. We show that the master equation for this sytem may be solved with the use of superoperator techniques. We calculate the linear entropy in case the field is initially in a coherent state and the atom in a superposition of its ground and excited states.

In recent years, hetero atom incorporated specially structured metal-free carbon nanomaterials have drawn huge attention among researchers. In comparison to the un-doped carbon nanomaterials, hetero atoms like nitrogen, sulphur, boron, phosphorous etc. incorporated nanomaterials become well-accepted as potential electrocatalysts in water splitting, supercapacitors and dye-sensitized solar cells. This review emphasizes on the mostly popular synthetic strategies utilized in last two decades and their excellent performance in electrocatalytic studies.

Besides external high-energy photon or proton beam therapy, targeted radionuclide therapy (TRNT) is an alternative approach to deliver radiation to cancer cells. TRNT is distributed within the body by the vascular system and allows targeted irradiation of a primary tumor and all its metastases, resulting in substantially less collateral damage to normal tissues as compared to ex-ternal beam radiotherapy (EBRT). It is a systemic cancer therapy, tackling systemic spread of the disease, which is the cause of death in most cancer patients. The α-emitting radionuclide bis-muth-213 (213Bi) has interesting properties and can be considered as a magic bullet for TRNT. The benefits and drawbacks of targeted alpha therapy with 213Bi are discussed in this review, covering the entire chain from radionuclide production to bedside. First, the radionuclide properties and production of 225Ac and its daughter 213Bi are discussed, followed by the fundamental chemical properties of bismuth. Next, an overview of available acyclic and macrocyclic bifunctional chelators for bismuth, and general considerations for designing a 213Bi-radiopharmaceutical are provided. Finally, we will provide an overview of preclinical and clinical studies involving 213Bi-radiopharmaceuticals, as well as the future perspectives of this promising cancer treatment option.

Background: The effect of velamentous cord insertion (VCI) on perinatal outcomes in twin pregnancies is unclear due to conflicting findings. This retrospective study aimed to examine VCI prevalence and related risk factors in twin pregnancies and its association with adverse perinatal outcomes. Methods: Women with twin pregnancies who delivered between January 2012 and December 2021 in a single tertiary hospital were included. The participants were divided into dichorionic (DC) and monochorionic diamniotic (MCDA) groups, and their maternal and fetal characteristics and VCI rates were compared. Logistic regression models were used to identify risk factors for VCI and VCI-related perinatal outcomes. Results: Among the 694 twin pregnancies included in this study, the VCI rate was significantly higher in MCDA than in DC twins. Body mass index and MCDA twins were significant risk factors for VCI, whereas assisted reproductive technology pregnancy was a significant protective factor against VCI. In DC twins, VCI did not affect perinatal outcomes. Conclusion: In MCDA twins, VCI was a significant risk factor for fetal growth restriction, twin-to-twin transfusion syndrome, and preterm birth at

Fine chemicals are produced in small annual volume batch processes (often <10,000 tonnes per year), with a high associated price (usually > $10/kg). As a result of their usage in the production of speciality chemicals, in areas including agrochemicals, fragrances and pharmaceuticals, their necessity will remain high for the foreseeable future. This review article assesses current methods used to produce fine chemicals with heterogeneous catalysts, including both well-established methods as well as newer experimental methods. A wide range of methods utilising microporous and mesoporous catalysts has been explored, including their preparation and modification before use in industry. Their potential drawbacks, as well as benefits, have been analysed, with their feasibility compared to newer, recently emerging catalysts. The field of heterogeneous catalysis for fine chemical production is a dynamic and ever-changing area of research. This deeper insight into catalytic behaviour and material properties will produce more efficient, selective, and sustainable processes in the fine chemical industry. The findings from this article will provide an excellent foundation for further exploration and a critical review in this field of fine chemical production using micro- and mesoporous heterogeneous catalysts.

Objective: This study aimed to demonstrate the availability of portable devices for nasal FeNO measurement, which could replace exhaled NO measurement based on the continuous aspiration of multiple flow measurement systems. Methods: A descriptive cross-sectional study. The healthy subjects without rhinosinusis disorders (control group) and those with diagnosed allergic rhinitis (AR group) were enrolled in the study. They underwent nasal and bronchial FeNO measurements by both fixed flow NObreath® connected to nasal mask and multiple flows HypAir FeNO®. Results: A total of 153 people were recruited including 63 healthy subjects and 90 subjects with AR. There were no statistically significant differences in anthropometric characteristics between the two groups (P > 0.05). There were a significant increase in FeNO values in the AR group compared to the control group; concentrations of nasal and bronchial FeNO mearsured by NObreath® were 76.0 ± 50.7 ppb (vs 36.0 ± 28.1 ppb, P < 0.01) and 32.3 ± 15.4 ppb (vs 9.2 ± 5.6 ppb, P < 0.001), and those mearsured by NObreath® Hypair FeNO® were 1796.9 ± 523.3 ppb (vs 400.2 ± 123.1 ppb, P < 0.001) and 37.3 ± 23.0 ppb (vs 17.4 ± 18.3 ppb, P < 0.01). A weak correlation between the values measured by NObreath® and Hypair FeNO® devices was observed (r = 0.023 and r = 0.089, respectively; p < 0.05). Conclusions: The handheld NObreath® device is effective in measuring FeNO concentrations in both normal subjects and AR patients. The advantages in price and size, creating a compact, low-cost device that is convenient for use and research.

Developing sustainable and renewable energy sources is critical as higher and higher global energy and environmental challenges arise. Hydrogen has the highest mass/energy density of any fuel and is considered one of the best sources of clean energy. Water splitting is regarded as one of the most promising solutions for hydrogen production on a large scale. Highly efficient, durable and cost-effective catalysts for hydrogen evolution reaction (HER) are critical in the realization of this goal. Among many materials proposed, graphene-based materials offer some unique properties for HER catalysis. In this review, we present recent progress on development of graphene-based electrocatalysts toward HER throughout the past few years.

A new approach was presented in this study to simulate a stable atom along with subatomic particles in it. Subatomic particles in an atom are treated as conventional particles, exhibiting attraction and repulsion between them, giving a stable atom simulation. This new approach leads to developing new potentials for subatomic particles to simulate a stable atom. Subatomic particle dynamics (SPD) simulations were developed for within-atom simulations that give a stable atom structure for infinite time and provide many insights into electron trajectories and atom properties like energies and radius of the atom. The effect of protons and neutrons movement in the nucleus on electron trajectories was captured in SPD. Hydrogen and Carbon atom SPD were reported in this study. The Pilot-wave theory was implemented in this study to simulate the wave nature of subatomic particles in an atom. Electrons motion was guided by the interference pattern produced by the electron’s aether medium waves in SPD. SPD was implemented on molecules, resulting in a stable molecular structure giving insights into electron trajectories shared by multiple atoms.

State transition in the multiple-levels system has the great potential applications in the quantum technology. In this article we employ a deterministic approach in complex space to analyze the dynamics of the 1s-2p electron transition in the hydrogen atom. The electron’s spin motion is embodied in the framework of quantum Hamilton mechanics that allows us to examine the transition dynamics more precisely. The transition is driven by an oscillating electric field in the z-direction. The electron’s transition process can be visualized by monitoring its motion in the complex space. The quantum potential and the total energy proposed in this paper provide new indices to observe the dynamic changes of electrons in the transition process.

In this study, we demonstrate the direct preparation of dihalo-γ-lactams featuring two distinct halogens from dichloroamides using a novel Atom Exchange Radical Cyclization (AERC) procedure. This method integrates the established Atom Transfer Radical Cyclization with halogen exchange in solution. The technique operates under mild conditions and requires little amounts of metallic copper, serving as both a supplemental activator and reducing agent.

Degussa P25 is a benchmark form of TiO₂ used worldwide in photocatalysis studies. Currently no such benchmark exists for co-catalysts, which are essential for many photocatalytic reactions. Here, we present the preparation of Pt nanocluster co-catalysts on TiO₂ using an unmodified commercial source and equipment that is commonly available. Transmission electron microscopy reveals that the procedure produces TiO₂ decorated with Pt atom and nanoclusters (1-5 atoms). Optical reflectance and X-ray diffraction measurements show that the procedure does not affect the TiO₂ polymorph or UV-Vis absorbance. Gas phase photocatalytic splitting of heavy water (D₂O) shows that the Pt nanocluster decorated TiO₂ outperforms Pt nanoparticle (produced by photodeposition) decorated TiO₂ in D₂ production. Pt nanoclusters, produced directly from a commercial source, with high co-catalyst activity are prime candidates to be used in benchmark photocatalytic reactions.

Objectives: To assess the short-term impact of a single global stretching session on plantar pressures and lumbar range of motion (RoM) over one week in sedentary university students. Design: A randomised controlled trial with two parallel groups. Participants: Sixty-four university students were randomly assigned to a stretching group or control group. The stretching group received a single session of global stretching and the control group remained seated for the same length of time as the stretching session. Main outcome measures: Lumbar RoM and plantar pressures were assessed before, immediately after, 48 hours after, and 7 days after intervention. Results: Group-by-time interaction was significant for lumbar lateral flexion (p = 0.044), right maximal pressure (p = 0.003), left maximal pressure (p = 0.008), right mean pressure (p = 0.025), left mean pressure (p = 0.002), and maximal pressure minus mean pressure in right foot (p = 0.007). The model with plantar pressures showed a significant difference for group-by-time interaction (p = 0.010).Conclusion: Global stretching seems to counteract the ill-effects of prolonged sitting up to seven days with respect to plantar pressure in standing without improving lumbar ROM

One of the main challenges of cultured meat is reducing the costs of production, often described as scaling. The main components of the cultivation process include: cells, media, scaffolds and bioreactors. This work presents an alternative to current stainless steel or glass bioreactors and uses food-grade plant-based scaffolds. Bioreactors must be sterile and leak-free to maintain a proper environment for cell growth. Thermoplastic films are a popular material for constructing these fluidic systems, but traditional methods of welding these film are expensive and do not allow rapid prototyping resulting in high research and development costs for companies. In this study, a laser welding method was developed to join thermoplastic films in a way that prevents contamination and leaks, affording effective macro-fluidics fabrication. This technique was tested using polyethylene (PET) films and a laser cutter operating with settings calibrated for the material to be welded or cut. The laser welding method was found to produce strong, leak-free seals in PET films with minimal heat-induced damage to the films. The ability to design fluidics, chambers and ports of various size. Using this method afforded the incorporation of plant-based scaffolds from food-grade plants (Rice). The laser welding method developed in this study provides a reliable, contamination-free method for the rapid fabrication of fluidic systems for cell cultivation. This technique has the potential to be compatible with a vast range of cell types and scaffolds and to be widely adopted in tissue engineering for regenerative medicine and food applications such as cultured meat.

This paper proposes a novel single-stage buck-boost three-Level neutral-point-clamped (NPC) inverter with two independent dc sources coupled for the grid-tied photovoltaic (PV) application, which can effectively solve the unbalanced operational conditions generally appeared between two coupled independent PV sources induced by the unequal irradiation and temperature distribution. The proposed control scheme can simultaneously guarantee the maximum power point (MPP) operation of both PV sources and maintain the output waveform quality. Compared to the traditional two-stage PV inverter, the proposed NPC inverter could reduce the PV array voltage requirement and dc-link capacitors’ voltage rating, meanwhile show the advantage in operational efficiency. MATLAB simulations and the captured experimental results are presented to show the performance of the proposed three-level inverter.

The results of the investigation showed that second-order kinetics govern the adsorption process, and the corresponding rate constants were found. To evaluate the parameters related to the adsorption process, the adsorption equilibrium was examined using a variety of mathematical models, such as the Langmuir, Freundlich, Temkin, and Dubinin-Radushkevich isotherm models. The Langmuir isotherm was found to be the best appropriate among all models for describing the adsorption of Cu2+ and Ni2+ ions using bio-nanocomposite beads. The positive values of ΔH° indicate that the adsorption is physical and endothermic, in agreement with experimental results. The negative value of ∆G° shows that the adsorption process is spontaneous. Positive ΔS° values indicate increased randomness at the solid/liquid interface, during adsorption of Cu2+ and Ni2+ cations onto the engineered bio-nanocomposite. The maximum adsorbed amounts of metal ions by the bio-nanocomposite used were 370.37 mg/g for Ni2+ and 454.54 mg/g for Cu2+ from single system. For the binary system, according to the Langmuir isotherm, the maximum adsorbed amounts of Ni2+ and Cu2+ were 357.14 mg/g and 370,37 mg/g, respectively. There is proof that Alginate-Moroccan clay bio-nanocomposites can serve as a different, less expensive source of sorbents for the removal of metal ions from single and binary systems.

It has been recently demonstrated that inelastic helium-atom scattering from conducting surfaces can provide a direct measurement of the surface electron-phonon coupling constant (mass-enhancement factor ) via the temperature- or the incident-energy-dependence of the Debye-Waller exponent. The analysis of previous published as well as unpublished helium atom scattering diffraction data from the vicinal surfaces of copper (Cu(11),  = 3,5,7) and aluminium (Al(221) and Al(332)) permits to extract  for this class of surfaces, suggesting an enhancement with respect to the corresponding data for the low-index surfaces (111) and (001) above a possible roughening transition temperature. The specific role of steps as compared to that of terraces is briefly discussed.

The oil produced in the oil fields of the Republic of Kazakhstan contains a high percentage of sulfur. Synthesis and improvement of the properties of catalytic systems for the production of fuels with high octane number and low sulfur content is currently an urgent task for Kazakhstan. In this study, catalytic systems with a new composition based on zeolites with the addition of rare-earth metals (E) and phosphorus (P) have been prepared and tested in the process of the catalytic hydrotreating of straight-run gasoline and gasoline of catalytic cracking. In case of NiO-MoO3-E-P-HZSM-HY-Al2O3 catalyst, the octane rating of the gasoline after hydro-processing was increased to 88-90, which is much higher than for other catalysts. The octane number of straight-run gasoline up to 400°C is a maximum of 90 (Research Method) and 83.7 (Motor Method). At the same time, the sulfur content in the resulting gasoline decreases from 0.0088% to 0.0011%. In the case of catalytic cracking gasoline, the sulfur content is reduced from 0.0134% to 0.0012%. The smallest residual sulfur content in the final product, 0.0005% is revealed in case of catalyst CoO-WO3-E-P-HZSM-HY-Al2O3, and it is 2-4 times lower than for catalysts CoO-MoO3-E-P-HZSM-HY-Al2O3 and NiO-MoO3-E-P-HZSM-HY-Al2O3. These amounts of sulfur residue in raw materials is lower than that required by the Euro-5 Standard. The surface of the prepared catalysts was 211.0-274.0 m2/g, diameter of pores d ≈ 1.5-2.5 nm and d ≈ 7.0 nm. The total pore volume of the catalysts was not higher than 0.28-0.41 ml/g. The catalysts developed in this study can be used for hydrotreating raw materials and producing high-octane gasoline with a low sulfur content, corresponding in its characteristics to the Euro-5 Standard.

Nitroxyl radical catalysts oxidize alcohols under an applied electric potential. It is possible to quantify the alcohol concentration from the resulting oxidation current. In this work, we evaluated the catalytic activity of nitroxyl radicals (or their corresponding hydroxylamines), including 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) as representative nitroxyl radicals, acetoamido-TEMPO, which shows higher oxidation potential than TEMPO owing to the acetoamido group, AZADO, Nor-AZADO, and NNO as less-hindered bicyclic nitroxyl radicals, and NHPI as an N,N-diacyl-type hydroxylamine, in acetonitrile solution. TEMPO, AZADO and NNO were also evaluated for their ability to oxidize alcohols in organic solvents, and their reactivity was compared with the electrochemical response. The most active NNO was used for electrochemical detection of cyclosporin A, a drug with a hydroxyl group.

Water splitting plays an important role in electrochemical and photoelectrochemical conversion of energy devices. Electrochemical water splitting by the hydrogen evolution reaction (HER) is a straightforward route to produce hydrogen (H2), which requires an efficient electrocatalysts to minimize energy consumption. Recent advances have created a rapid rise in new electrocatalysts, particularly those based on non-precious metals. In this review, we present a comprehensive overview of the recent developments of ternary and quaternary 6d-group transition metal chalcogenides (TMCs) based electrocatalysts for water splitting, especially for HER. Detailed discussion is organized from binary to quaternary TMCs including, surface engineering, heterostructures, chalcogen substitutions, and hierarchically structural design in TMCs. Moreover, emphasis is placed on future research scope and important challenges facing these electrocatalysts for further development in their performance towards water splitting.

Fostering fruitful collaboration between chemistry and physics scholars, the analysis of the differences in the practical approach to single atoms in chemistry and in physics affords a number of conceptual outcomes pointing to a more balanced relationship between chemistry and physics.

Polyglycerols (PGs) are biocompatible and highly functional polyols with a wide range of applications, such as emulsifiers, stabilizers, antimicrobial agents, in many industries including cosmetics, food, plastic and biomedical. The demand increase for biobased PGs encourages researchers to develop new catalytic systems for glycerol polymerization. This review focuses on alkaline homogeneous and heterogeneous catalysts. The performances of the alkaline catalysts are compared in terms of conversion and selectivity, and their respective advantages and disadvantages are commented. While homogeneous catalysts exhibit a high catalytic activity, they cannot be recycled and reused, whereas solid catalysts can be partially recycled. The key issue for heterogenous catalytic systems, which is unsolved so far, is linked to their instability due to partial dissolution in the reaction medium. Further, this paper also reviews the proposed mechanisms of glycerol polymerization over alkaline-based catalysts and discuss the various operating conditions with an impact on the performances. More particularly, temperature and amount of catalyst proved to have a significant influence on glycerol conversion and on its polymerization extent.

CuO-ZnO-Al2O3 catalysts are designed for the low-temperature shift conversion in the process of hydrogen and ammonia synthesis gas production. The paper presents the results of research on recovery of copper and zinc from spent catalysts using pyrometallurgical and hydrometallurgical methods. Under reducing conditions, at high temperature, having appropriately selected the composition of the slag, more than 66% of copper in metallic form and about 70% of zinc in the form of ZnO can be extracted from this material. Hydrometallurgical processing of the catalysts was carried out using two leaching solutions: alkaline and acidic. Almost 62% of the zinc contained in the catalysts has been leached to the alkaline solution and about 98% of copper has been leached to the acidic solution. After the hydrometallurgical treatment of the catalysts, insoluble residue was also obtained in the form of pure ZnAl2O4. This compound can be reused to produce catalysts, or it can be processed under reducing conditions at high temperature to recover zinc. The recovery of zinc and copper from such a material is consistent with the policy of sustainable development and helps to reduce the environmental load of stored wastes.

We propose a method that enables precise determination of the number of atoms in a Dick-noise-free optical lattice clock, by effectively addressing quantum projection noise. Our approach relies on conducting stability measurements at three distinct parameter sets, allowing us to differentiate between quantum projection noise, photon shot noise, and technical noise. Importantly, our method enables accurate extraction of the atom number, even in the presence of photon shot noise and technical noise. To validate the effectiveness of our approach, we employ numerical simulations and optimize the modulation parameters to achieve the smallest uncertainty possible. The numerical simulations show the validity of our method and demonstrate a measurement uncertainty in the atom number that is below 4% across a wide range of atom numbers, provided that the standard deviation of atom number fluctuation is kept below 0.23 times the average atom number.

The 32CA reactions of a series of pairs of bent three-atom-components (B-TACs) and linear TACs (L-TACs) towards electrophilic dicyanoethylene (DCE) have been studied within the Molecular Electron Density Theory in order to understand their different reactivity. ELF analysis indicates that while pseudodiradical B-TACs change their electronic structure to pseudoradical or carbenoid L-TACs upon dehydrogenation, zwitterionic B-TACs experience no remarkable change. Analysis of the CDFT indices indicates that five of the nine studied TACs have a strong nucleophilic character, thus participating in polar reactions towards electrophilic ethylenes. The activation energies of the 32CA reactions of the nine TACs towards electrophilic DCE range from 0.6 to 22.0 kcal·mol-1, which are by between 2.0 and 10.1 kcal·mol-1 lower than those involved in the non-polar 32CA reactions with ethylene. In general, B-TACs are more reactive than their L-TAC counterparts. A change of the regioselectivity is found in these polar 32CA reactions; in general, while B-TACs are meta regioselective, L-TACs are ortho regioselective. Analysis of the geometrical parameters indicates that at all TSs, the formation of the single bond involving the most electrophilic C4 carbon of DCE is more advanced than that involving the C5 one. A change of the asynchronicity in the reactions involving B-TACs and L-TACs is also found.

This retrospective study aimed to evaluate the performance of the hormone treatment protocols, determine the factors associated with pregnancy success after hormone treatment, and compare the cost-efficiencies of two types of hormone treatment among cyclic and noncyclic anestrous dairy cows. The clinical records of 279 anestrous cows who received hormone treatment for artificial insemination (AI) from 64 herds in the western region of Thailand were obtained from Kasetsart University Veterinary Teaching Hospital from January to August 2017. The performance of the hormone treatment protocols, fixed-time AI (TAI) and estrus detection before AI (EAI), showed that the pregnancy risk for the TAI protocol was higher than for the EAI protocol, but pregnancy per AI did not differ significantly between the two protocols in cyclic and noncyclic cows. Multivariate logistic regression analysis showed that cows receiving the TAI protocol were more likely to be pregnant compared to those treated with the EAI protocol. Cows with a 3.00 body condition score (BCS) &lt;3.75 after treatment and loose-housing cows were more likely to become pregnant. Treatment during winter showed higher pregnancy success than in the summer and rainy seasons. The cost-efficiency analysis showed that the TAI protocol was the most cost-efficient option for noncyclic cows, whereas the EAI protocol was the most cost-efficient option for cyclic cows.

After 40 years of the discovery of metallocene catalysts, there are still several aspects that remain unresolved, especially when the “conventional” alkylaluminum activators are not used. Herein, we systematically investigate the synthesis of PE via three different zirconocene catalysts, with different alkyl substituents, activated via different organoboron compounds. The polymerization behavior, as well as the properties of the materials, are evaluated. The results demonstrate that the highest catalytic activity is shown by Bis(cyclopentadienyl)dimethylzirconium activated by trityl tetra(pentafluorophenyl)borate. Also finding that toluene is the optimum solvent for these systems and at these reaction conditions. Moreover, to validate our experimental results, a comprehensive mathematical model is developed on the basis of thermodynamic and kinetic principles. The concentration of ethylene transferred to the solvent phase (toluene) in a liquid-vapor equilibrium (LVE) system is estimated based on the Duhem’s theorem. Arrhenius expressions for the kinetic rate constants of a proposed kinetic mechanism are estimated by a kinetic model, in which the rate of polymerization is fitted by a least-square optimization procedure and the molecular weight averages by the method of moments. The simulations of the coordination polymerization suggest the presence of two types of active sites, principally at low temperatures, and the reactivation of the deactivated sites via a boron-based activator. However, the effect of the temperature on the reactivation step is no clear; a deeper understanding via designed experiments is required.

In this work, we present a model of the atom that is based on a nonclassical logic called paraconsistent logic (PL), which has the main property of accepting the contradiction in logical interpretations without the conclusions being annulled. The proposed model is constructed with an extension of PL called paraconsistent annotated logic with annotation of two values (PAL2v), which is associated with an interlaced bilattice of four vertices. We use the logarithmic function of the Shannon entropy H_(s) to construct the paraconsistent equations and thus adapt a probabilistic model for representations in quantum physics. Through analyses of the interlaced bilattice, comparative values are obtained for some of the phenomena and effects of quantum mechanics, such as superposition of states, quantum entanglement, wave functions, and equations that determine the energy levels of the layers of an atom. At the end of this article, we use the hydrogen atom as a basis of the representation of the PAL2v model, where the values of the energy levels in six orbital layers are obtained. As an example, we present a possible method of applying the PAL2v model to the use of Raman spectroscopy signals in the detection of lubricating mineral oil quality.

Behavior of supported alloyed and de-alloyed platinum-copper catalysts, which contained 14% - 27% wt. of Pt, was studied in the reactions of methanol electrooxidation (MOR) and oxygen electroreduction (ORR) in 0.1 M HClO4 solutions. Alloyed PtCux/C catalysts were prepared by a multistage sequential deposition of copper and platinum onto a Vulcan XC72 dispersed carbon support. De-alloyed PtCux-y/C catalysts were prepared by PtCux/C materials pretreatment in acid solutions. The effects of the catalysts initial composition and the acid treatment condition on their composition, structure, and catalytic activity in MOR and ORR were studied. Functional characteristics of platinum-copper catalysts were compared with those of commercial Pt/C catalysts when tested, both in an electrochemical cell and in H2/Air membrane-electrode assembly (MEA). It was shown that the acid pretreatment of platinum-copper catalysts practically does not have negative effect on their catalytic activity, but it reduces the amount of copper passing into the solution during the subsequent electrochemical study. The activity of platinum-copper catalysts in the MOR and the current-voltage characteristics of the H2/Air PEMFC MEAs measured in the process of their life tests were much higher than those of the Pt/C catalysts.

Series of bifunctional catalysts, MoS2/Al2O3(70 wt.%)-zeolite (30 wt.%) (zeolite – ZSM-5, ZSM-12, ZSM-22 and silica aluminophosphate SAPO-11), were synthesized for hydroconversion of methyl palmitate (10 wt.% in dodecane) in a trickle-bed reactor. Mo loading was about 7 wt.%. Catalyst and supports were characterized by different physical-chemical methods (HRTEM-EDX, SEM-EDX, XRD, N2 physisorption, FTIR spectroscopy). Hydroprocessing was performed at temperature of 250-350°C, hydrogen pressure 3.0-5.0 MPa, liquid hourly space velocity (LHSV) 36 h-1, H2/feed ratio – 600 Nm3/m3. Complete conversion of oxygen-containing compounds was achieved at temperature 310°C in the presence of MoS2/Al2O3-zeolite catalysts, the selectivity for the conversion of methyl palmitate via the ‘direct’ hydrodeoxygenation (HDO) route was over 85%. The yield of iso-alkanes gradually increases in order: MoS2/Al2O3 &lt; MoS2/Al2O3-ZSM-12 &lt; MoS2/Al2O3-ZSM-5 &lt; MoS2/Al2O3-SAPO-11 &lt; MoS2/Al2O3-ZSM-22. The sample MoS2/Al2O3-ZSM-22 demonstrated the highest yield of iso-alkanes (40%). Hydroisomerization activity of the catalysts was in a good correlation with concentration of Brønsted acid sites of synthesized supports.

An laboratory procedure has been developed to obtain lanthanum oxide from spent fluid catalytic cracking catalyst, commonly used in the cracking the heavy crude oil process. Two different spent fluid catalytic cracking catalysts, which are mainly formed by silica and alumina, and a certain amount of rare earths were leached under several conditions to recover the rare earth from the solids waste. Subsequently, liquid phases were subjected to a liquid-liquid extraction process, and lanthanum was quantitatively stripped using oxalic acid to obtain the corresponding lanthanum oxalates. After the corresponding thermal treatment, these solids were transformed into lanthanum oxide. Both, lanthanum oxalates and oxides solids have been characterized by wide techniques in order to investigate the purity of the phases.

Imperfection sensitivity of large amplitude vibration of curved single-walled carbon nanotubes (SWCNTs) is considered in this study. The SWCNT is modeled as a Timoshenko nano-beam and its curved shape is included as an initial geometric imperfection term in the displacement field. Geometric nonlinearities of von Kármán type and nonlocal elasticity theory of Eringen are employed to derive governing equations of motion of nano-beam. Spatial discretization of governing equations and associated boundary conditions is performed using differential quadrature (DQ) method and the corresponding nonlinear eigenvalue problem is iteratively solved. Effects of value and location of the geometric imperfection, and the nonlocal small-scale parameter on the nonlinear frequency ratio and imperfection sensitivity of a curved SWCNT for various boundary conditions are investigated. The results show that the geometric imperfection plays a significant role in the nonlinear vibration characteristics of curved SWCNTs.

Gold nanoparticles, were deposited in titanium oxide (TiO2) Degussa-P25 with the Photodeposition method in the presence of UV light at different concentrations. It was determined by diffuse reflectance (DF), Scanning electron microscopy (SEM), that the Photodeposition method is effective for the inclusion of gold particles on the surface. The catalyst band gap showed a reduction to 2.9 e.V, as well as it was observed that the gold-doped catalyst shows absorption in the visible light range around 500 to 600 nm. The percentage of deposited gold nanoparticles was determined by energy dispersive spectroscopy (EDS). The experimental data were analyzed using different analytical techniques (UV-Vis spectrophotometry, TOC total organic carbon), with these results a carbon-based mass balance and reaction kinetics were generated using the Langmuir-Hinshelwood (LH-HW) heterogeneous catalysis model. For the estimation of the kinetic constants, the non-linear regression of the Levengerd Marquad algorithm was used, with these results, kinetic models of the degradation of the molecule and the generation and consumption of Organic Intermediate Products (OIP) were generated.

This study investigated the influence of single nucleotide polymorphisms (SNPs) in genes asso-ciated with the interferon pathway (IFNAR2 rs2236757), antiviral response (OAS1 rs10774671, OAS3 rs10735079), and viral entry (ACE2 rs2074192) on COVID-19 severity and their association with non-alcoholic fatty liver disease (MAFLD). We did not observe a significant association between the investigated SNPs and COVID-19 severity. While the IFNAR2 rs2236757 A allele correlated with higher creatinine levels upon admission and the G allele with lower band neu-trophils upon discharge, these findings require further investigation. The distribution of OAS gene polymorphisms (rs10774671, rs10735079 did not differ between MAFLD and non-MAFLD patients. Our study population's distribution of ACE2 rs2074192 genotypes and alleles differed from the European reference population. Overall, our findings suggest that these specific SNPs may not be major contributors to COVID-19 severity in our patient population, highlighting the potential role of other genetic factors and environmental influences.

Catalytic hydrogenation of a biomass-derived molecule, levulinic acid (LA) to γ-valerolactone (GVL) has been getting a lot of attention from researchers across the globe recently. This is because GVL has been identified as one of the potential molecules for the replacement of fossil fuels. For instance, GVL can be catalytically converted into liquid alkenes in the molecular weight range close to that found in transportation fuels via a process that does not require an external hydrogen source. Noble and non-noble metals have been used as catalysts for the selective hydrogenation of LA to GVL. Of these, Ru has been reported to be the most active metal for this reaction. The type of metal supports and solvents has been proved to affect the activity, selectivity, and yields of GVL. Water has been identified as a potential, effective “green” solvent for the hydrogenation of LA to GVL. The use of different sources of H2 other than molecular hydrogen (such as formic acid) has also been explored. In a few instances, the product, GVL, is hydrogenated further to other useful products such as 1,4-pentanediol (PD) and methyl tetrahydrofuran (MTHF). This review selectively focuses on the potential of immobilized Ru catalysts as a potential superior catalyst for selective hydrogenation of LA to GVL.

Shoulder tendinopathies produce pain and reduce functionality. The aim of this randomized clinical trial was to analyze the effects of Percutaneous electrolysis (PE), Percutaneous peripheral Nerve Stimulation (PNS) and eccentric exercise (EE), on pain (NPRS), strength, electromyographic activity, ultrasound characteristics of the tendon (echogenicity, thickness and hypervascularization) and functionality (DASH and SPADI) on individuals with supraspinatus tendinopathy. Participants (n=50) were divided into two groups, they received 4 treatment sessions, one per week, of PE and PNS (n=25) or 10 treatment sessions of TENS and US (n=25). Both groups performed EE program consisted of 3 sets of 10 repetitions of each of the 3 exercises, twice a day, during the 4 weeks. Follow-up was carried out at 4, 12 and 24 weeks after the start of the intervention. There are statistically significant differences in the analysis between groups (p&lt;0.001) in the post-treatment and follow-up measurements favorable to the PE+PNS+EE treatment on pain (NPRS), strength, supraspinatus electromyographic amplitude, ultrasound characteristics of the tendon (echogenicity, thickness and hypervascularization) and DASH and SPADI questionnaires. The combined treatment PE, PNS and EE is an effective option in the clinical management of tendinopathies, with positive results in the short and long term on the variables studied.

Technology is in the way to reach in its climax but the basic understanding of science in many phenomena is still awaited even though the nature witnesses it. Scientific research reveals strong analogy between photon and electron. When an atom deals neutral state, it levitates electron of outer ring from the back surface while placing the bit-energy at front surface. Gravitation behavior of that electron starts at the centre of relaxation point by including the force of side pole where the pulling force of nearby unfilled state of that atom from the front surface results into depict forcing energy shape like Gaussian distribution symbol with both ends turned called unit photon. The inertia is being involved at each stage of changing direction of that electron by introducing the disappearances of forces of two poles against the appearances of forces of two opposite poles during rest to motion and motion to rest in the first half-cycle. The same is the case in the second half-cycle of that electron during rest to motion and motion to rest but it is under different introduction of the disappearances of forces against appearances of forces. However, at stage of levitating or gravitating period of electron, only one force is being involved at one time where the opposite force is disappeared. The uninterrupted confined inter-state electron-dynamics of atom under the availability of several bits of bit-energy results into generate forcing energy shape like a wave. Two bits of bit-energy where shape of bit for first half-cycle is like integral symbol and second half-cycle is like opposite integral symbol which are being placed along the configuring trajectory of inter-state electron-dynamics during forward-direction cycle and two bits of bit-energy shape in opposite order are being placed along the trajectory of inter-state electron-dynamics during back-direction cycle. Generating forcing energy of unit photon in each cycle is pushing to the rear side by remaining connected till the electron is not restoring the state of rest. Silicon atom is considered as a model system under neutral state. Uninterrupted confined inter-state electron-dynamics result into generate forcing energy that can travel immeasurable length and unavailability of necessitating bit-energy at any interrupted stage result into generate an overt photon. Inter-state electron-dynamics for at least two cycles generate an overt photon –a photon length twice to unit photon. Under certain interaction of unit photon, it divides equally into two bits of bit-energy instead of dividing into tits and bits of heat. The mechanism of generating photon characteristic current by the electron of neutral state atom validates that atoms are four-dimensional discs at centre of dealing no force. An isolated electron is being grounded under directed forcing energy to impinge a neutral state atom where the gained instantaneous velocity under merged energy resulting into distort atom at that point. Matter changes the role of energy and force under various sorts of interactions. Here, heat energy and photon energy explore matter at atomic and electron levels, thus, devise basis of science to describe.

HIV-associated neurocognitive disorders (HAND) persist under antiretroviral therapy as a complex pathology that has been difficult to study in cellular and animal models. Therefore, we generated an ex vivo human brain slice model of HIV-1 infection from surgically resected adult brain tissue. Brain slice cultures processed for flow cytometry showed >90% viability of dissoci-ated cells within the first three weeks in vitro, with parallel detection of astrocyte, myeloid, and neuronal populations. Neurons within brain slices showed stable dendritic spine density and mature spine morphologies in the first weeks in culture, and they generated detectable activity in multi-electrode arrays. We infected cultured brain slices using patient-matched CD4+ T-cells or monocyte-derived macrophages (MDMs) that were exposed to a GFP-expressing R5-tropic HIV-1 in vitro. Infected slice cultures expressed viral RNA and developed a spreading infection up to 9-days post-infection, which were significantly decreased by antiretrovirals. We also detected infected myeloid cells and astrocytes within slices and observed minimal effect on cellular via-bility over time. Overall, this human-centered model offers a promising resource to study the cel-lular mechanisms contributing to HAND (including antiretroviral toxicity, substance use, and aging), infection of resident brain cells, and new neuroprotective therapeutics.

The direct hydrogenation of greenhouse gas carbon dioxide (CO2) to higher alcohols (C2+OH), as an important research area in C1 chemistry, is one of the most essential approaches to convert CO2 into liquid fuels or other value-added chemicals. The high atom economy and direct pathway make this reaction attractive to convert CO2 to higher alcohols. However, due to the complicated reaction network and the difficulty of C-C coupling, the formation of higher alcohols is more difficult compared with methanol or other compounds containing one carbon. The key issue is development of novel catalysts with high conversion and space time yield. But this is still a huge challenge faced by researchers. In this review, the thermodynamics and reaction pathways of CO2 hydrogenation were firstly clarified. Subsequently, after reviewing single metal-based, bi-and multi-metallic catalysts, the recently progress of tandem catalytic system was emphasized. Finally, we also provided an overview about tandem catalysis for CO2 hydrogenation to higher alcohols.

This study investigates the role of oxygen vacancy on Fe-doped CeO₂ catalyst activity for soot oxidation. The oxygen vacancy was assessed through Ce³⁺ content. The Fe content was varied between 0 and 30% for two catalyst preparation methods, co-precipitation (CP) and solution combustion synthesis (SCS). X-ray photoelectron spectroscopy indicates that ceria exists as both Ce₄₊ and Ce₃₊, while iron is present only as Fe₃₊. The catalyst’s activity was evaluated by ignition (T10) and combustion (T50) temperatures using thermogravimetric analysis. Optimum Fe contents yielding the highest activity were found to be 10% and 5% for CP and SCS catalysts, respectively. The surface area and morphology have shown moderate effect on catalyst activity, because catalytic soot oxidation involves solid-solid contact. More importantly, regardless of the fabrication method, it was found that Ce₃₊ content, which is closely related to oxygen vacancies, plays the most important role in affecting the catalyst activity.

Reverse water gas shift reaction (RWGS) is an important process which plays a vital role in many CO2 utilization related reactions. Noble metals are the most active catalysts in RWGS, but the high price and low reserve strangled their applications. In the present work, we reported a non-transition-metal MgAl2O4 catalyst which showed outstanding activity and stability at high temperatures in the RWGS reaction and improved performance after doping of single atomic Nin+. The catalyst can obtain 46% of CO2 conversion in durability test of 75 h at 800 °C under high weight hourly space velocities (225 000 ml g-1 h-1). The adsorption sites, possible reaction route, and effects of Nin+ single atoms on the (111) surface of MgAl2O4 for RWGS were investigated by in situ DRIFTS and DFT calculations. The results indicated that the rate determining reaction step of RWGS on MgAl2O4 and Ni (SA)/MgAl2O4 were both the reaction of OH* + H* → H2O* + *, but the energy barrier was significantly reduced after introducing single atomic Nin+. Nin+ atoms can increase the hydroxyl coverage on the surface of catalyst and Al3+ sites near the Nin+ ion are considered as the predominant active sites for RWGS reactions.

Environmental estrogen pollution and estrogen effects on the female reproduction system are well-recognized scientifically. Among the estrogens, 17 β-estradiol is a priority in environmental estrogen pollution, and it is also a major contributor to estrogen which regulates the female reproduction system. 17 β-estradiol is carcinogen and has a tumor promotion effect relating to breast cancer, lung cancer and others. It also affects the psychological well-being such as depression, fatigue and others. Thus, a simple method of detection of 17 β-estradiol will be important for both environmental estrogen pollution and women’s health care. This study demonstrates a simple-use, cost effective 17 β-estradiol biosensor system which can be used for both environment and women’s health care applications. The bio-recognition mechanism is based on the influence of the redox couple, K₃Fe (CN) ₆/K₄Fe (CN) ₆ by the interaction between 17 β-estradiol antigen and its α-receptor (ER- α; α-estrogen antibody). The transduction mechanism is an electrochemical analytical technique, differential pulse voltammetry (DPV). The levels of 17 β-estradiol antigen studied was between 2.25 pg/mL to 2,250 pg/mL, Phosphate buffered saline (PBS), tap water from the Cleveland regional water district, and simulate urine were used as the test media covering the potential application areas for 17 β-estradiol detection. An interference study by testosterone which has a similar chemical structure and molecular weight as those of 17 β-estradiol was carried out, and this 17 β-estradiol biosensor showed excellent specificity without any interference by similar chemicals.

The growing attention for plug-in electric vehicles, and the associated high-performance demands, have initiated a development trend towards highly efficient and compact on-board battery chargers. These isolated ac-dc converters are most commonly realized using two conversion stages, combining a non-isolated power factor correction (PFC) rectifier with an isolated dc-dc converter. This, however, involves two loss stages and a relatively high component count, limiting the achievable efficiency and power density and resulting in high costs. In this paper a single-stage converter approach is analyzed to realize a single-phase ac-dc converter, combining all functionalities into one conversion stage and thus enabling a cost-effective efficiency and power density increase. The converter topology consists of a quasi-lossless synchronous rectifier followed by an isolated dual active bridge (DAB) dc-dc converter, putting a small filter capacitor in between. To show the performance potential of this bidirectional, isolated ac-dc converter, a comprehensive design procedure and multi-objective optimization with respect to efficiency and power density is presented, using detailed loss and volume models. The models and procedures are verified by a 3.7 kW hardware demonstrator, interfacing a 400 V dc-bus with the single-phase 230 V, 50 Hz utility grid. Measurement results indicate a state-of-the-art efficiency of 96.1% and power density of 2.2 kW/dm³, confirming the competitiveness of the investigated single-stage DAB ac-dc converter.

Plastic flow in body-centered cubic (bcc) alloys is governed by the thermally-activated screw dislocation motion. In bcc interstitial solid solutions, solute diffusion can occur at very fast rates owing to low migration energies and solute concentrations. Under mechanical loading, solutes may move on the same or similar time scale as dislocations glide, even at low temperatures, potentially resulting in very rich co-evolution processes that may have important effects in the overall material response. It is therefore important to accurately quantify the coupling between interstitial impurities and dislocations, so that larger-scale models can correctly account for their (co)evolution. In this paper, we use electronic structure calculations to obtain the energetics of oxygen diffusion under stress and its interaction energy with screw dislocation cores in bcc tungsten. We find that oxygen atoms preferentially migrate from tetrahedral to tetrahedral sites with an energy of 0.2 eV. This energy couples only weakly to hydrostatic and deviatoric deformations, with activation volumes of less than $0.02$ and $0.2b^3$, respectively. The strongest effect is found for the inelastic interaction between O atoms and screw dislocation cores, which leads to attractive energies on the order of 1.5 eV and a structural transformation of the screw dislocation core from an `easy' to a `hard' core configuration

The Covid-19 pandemic and the initial focus on handwashing measures have again highlighted the importance of water access as an essential service in protecting human health. Yet, especially in southern cities, uneven geographies of water access – often mediated by fragmented and unequal infrastructure systems – may hamper the fight against infectious diseases. The spread of SARS-CoV-2 presented a dilemma for water providers as well as residents in water-deprived urban areas as they had to adhere to new hygiene standards and requirements, despite limited access to basic water infrastructure. Therefore, a deeper understanding of pandemic urban waterscapes – the infrastructure and governance systems as well as everyday practices and technologies – is necessary for ongoing debates on (post-) pandemic or zoonotic cities. In our paper, we focus on changes in urban (water) governance and government water projects in Nairobi since early 2020. We show that Covid-19 has contributed to changes in Nairobi’s waterscape but only in conjunction with recent changes in the city’s overall governance structure. However, if these waterscape changes lead to greater equity in water access, and if they have helped to curb the spread of SARS-CoV-2, is more than questionable.

The fundamental mechanism underlying negative-ion catalysis involves bond-strength breaking in the transition state (TS). Doubly-charged atomic/molecular anions are proposed as novel dynamic tunable catalysts and demonstrated in water oxidation to peroxide. Density Functional Theory TS calculations have found tunable energy activation barrier reduction ranging from 0.030 eV to 2.070eV, with Si²ˉ, Pu²ˉ, Pa²ˉ and Sn²ˉ the best catalysts; the radioactive elements usher in new application opportunities. C₆₀²ˉ reduces significantly the standard C₆₀ˉ TS energy barrier while graphene increases it, behaving like cationic systems. Rank-ordered catalysts according to their reaction barrier reduction efficiency, variation across charge states and systems reveal their tunable and wide applications, ranging from water purification to biocompatible anti-viral and anti-bacterial sanitation systems.

Heusler Ni-Mn-Ga alloys with martensitic transformation being multiferroic materials are touted for magneto- and multi-caloric effect (MCE) and moreover, they exhibit magnetic shape memory (MSM) phenomena. MCE benefits from high saturation magnetization and also large variability and sensitivity of transformation temperatures on alloying. In contrast, MSM phenomena are limited by low temperatures of both ferromagnetic and ferroelastic transformations. In an attempt to increase the transformation temperatures and to understand the physical fundamentals beyond transformation variations and magnetic ordering, we experimentally investigate the magnetic and transformation properties in Ni2MnGa alloyed with transitional elements spanning from Cr to Cu. These elements are consecutively substituted on Ni, Mn, and Ga sites, to establish the effect of positional substitution and elemental evolution. The elemental dependence of saturation magnetization, magnetocrystalline anisotropy, Curie temperature, and martensitic transformation temperatures are compared with (non-)stoichiometric Ni-Mn-Ga Heusler compounds. The observed behavior is complex and there are no clear trends of transformation temperatures as a function of the number of valence (non-bonding) electrons per atom, however, the saturation magnetization at 10K and Curie temperature seems to follow the Pauli-Slater curve. Obtained results can serve as useful rectification for the theoretical prediction of new Ni-Mn-Ga-X Heusler alloys.

In the face of the current energy and environment problems, the full use of biomass resources instead of fossil energy to produce a series of high-value chemicals has great application prospects. 5-hydroxymethylfurfural (HMF), which can be synthesized from lignocellulose as raw material, is an important biological platform molecule. Its preparation and catalytic oxidation of subsequent products have important research significance and practical value. In the actual production process, porous organic polymer (POPs) catalysts are highly suitable for biomass catalytic conversion due to its high efficiency, low cost, good designability, and environmentally friendly features. Here, we briefly described the application of various types of POPs (including COFs、PAFs、HCPs、CMPs) in the preparation and catalytic conversion of HMF from lignocellulosic biomass, and analyzed the influence of the structural properties of catalysts for the catalytic performance. Finally, we summarized some challenges that POPs catalysts will face in biomass catalytic conversion, and prospected the important research directions in future. This review would provide valuable references for the efficient conversion of biomass resources into high-value chemicals in practical applications.

Removing one key barrier to the industrial uptake of green chemistry and nanocatalysis in the fine and specialty chemical industry requires to fill an ongoing “talent shortage” via expanded chemistry education. In this study we show how the use of hybrid sol-gel catalysts to synthesize fine chemicals and active pharmaceutical ingredients in flow chemistry reactors illustrates new ideas to reshape chemistry education based on recent research outcomes, visualization and digital tools. Several lessons learned from the industrial and academic utilization of these materials in continuous-flow conversions conclude the study.

Nuclear export of viral mRNAs, is an essential step in the HIV replication cycle. This role is played by a small regulatory protein of HIV-1 called Rev.The N-terminal region of Rev contains an arginine-rich sequence. The arginine-rich motif (ARM) is located between amino acids 38-50 and forms an alpha-helical secondary structure. Expression of the structural proteins of human immunodeficiency virus type 1 requires the direct interaction of multiple copies of the viral Rev protein with its highly structured RNA target sequence, the Rev Response element (RRE). The major viral proteins are not produced if this transport of RNA is stopped. Therefore, knowledge of Rev structure is essential for understanding of its cooperative binding to the RRE, for understanding the mechanism of HIV infection and for the development of antiviral drugs that interfere with Rev’s essential functions and for acknowledgment of good candidate drugs for treatment of AIDS. To understand how REV interact with RRE element of HIV-RNA and its formation of oligomeric complex it is better to characterize the domain wise structure of REV with regard in function of each domain. Due to lack of structural data on Rev no single compound is reported as inhibitor of REV expect antiviral drugs. Identification of a high-affinity RNA-binding site for the human immunodeficiency virus type 1 Rev Protein is much more important. The ARM is a highly specific sequence which allows for the multimerization of Rev and also binding of REV with RNA. Here we are first time exploring the structural characteristics of REV protein both in free form and in complex with RNA at domain function level especially explore the role of ARM motif in REV HIV-1 protein as RNA binding sites by molecular dynamics (MD) simulation and homology modeling studies. Results indicate that the arginine-rich motif (ARM) is crucial in stability of this complex. The residues ARG38, 39, 41, 43, 44, 48, 50, and ASN40 are most interacting with nucleobases of RRE in Crystal structure of Rev and Rev-response-element RNA complex. Our study plays a major role in elaboration of binding of RNA with REV and pave the way for further investigation for therapeutically agent for HIV.

A series of Zn-modified Hβ (Zn/Hβ) catalysts were prepared by using the different zinc precursors such as ZnSO4·7H2O, ZnCl2, C4H6O4Zn·2H2O and Zn(NO3)2·6H2O, and their catalytic performance in the ethanol conversion to propylene reaction was evaluated. Results indicate the amount and strength distribution of acid sites of the Zn/Hβ catalysts were easily tuned by employing different type of zinc precursors. More importantly, when the Zn species were introduced to the Hβ, the propylene yield was significantly enhanced, whereas the yields of the byproducts such as ethylene and C2-C4 alkanes were remarkably suppressed. For the catalyst prepared by using the ZnCl2 precursor (Zn/Hβ-C), a higher propylene yield up to 43.4% was achieved as a result of the moderate amount and distribution of acid sites. The average coking rate of the used Zn/Hβ catalysts strongly depended on the amount of total acid sites, especially the strong acid sites, i.e., the higher the amount of total acid sites of the catalyst, the greater the average coking rate. For the catalyst prepared by using the ZnSO4·7H2O precursor, Zn/Hβ-S exhibited a better stability even after depositing more coke, which is due to the higher amount of strong acid sites.

The one pot hydrogenolysis/hydrogenation reaction of maltose to 2 moles of sorbitol has been carried out over different supported Cu catalysts in water at 180°C and 40 bar of H2. Only the catalysts supported on silicas were found to be effective in this reaction giving up to 86% yield in the desired product while the bare supports and the catalysts supported on alumina or silica alumina gave messy reactions. The peculiar activity of the two Cu/Silica systems tested was ascribed to high metal dispersion and suitable polarity of the catalyst surface. The reduced catalyst, exposing metallic Cu particles on the surface, showed unusual stability in the presence of water as a solvent and could be reused several times without any treatment.

Spontaneous parametric downconversion At the heart of all quantum optics experiments is called as Spontaneous parametric downconversion. This is a downconversion process when the output frequency is smaller than the input frequency. The whole process is Spontaneous. Experimentally we have to downconvert the photons and convert them into pairs of a photon. We use the Beta-barium borate(BBO) crystals to downconvert the coming violet-blue laser. We find the maximum number of counts on detectors and their coincidence. When the BBO crystals is well aligned, we find no difference in detecting vertically or horizontally polarized photons because they are orthogonal to each other. Proof of existence of photons We want to investigate the properties and verification of quantization of light. Experimently we want to establish the existence of single photon which shows the grainy-ness of individual photon quantum mechanically and shows wave like behaviour classically. We get the coincidences counts on detectors with addition of detector B’ by using PBS in the path of signal beam. Experimentally we prove the Quantum as well as classical nature of light by the measurement of second-order degree coherence in light g²(0). For classically the g²(0)≥1 and quantum mechanically g²(0)=0.When we add the delay time interval of 1ns after reflected and transmitted photons from PBS signal beam. The delay generator did not create a significant difference in the coincidence counts detection in the value of g²(τ ). Single photon interference and quantum eraser we want to observe the interference by making the single photons pass through the interferometer, and we will see the interference of the single photons. If the light passes through the interferometer, the visibility of the interference pattern to which extent these fringes are observed is dependent on the extent to which the ’which-way’ or ’which-path’ information is available to the experimenter. If the observer knows the information about the ’which-way’ of the light path, then we cannot observe the inference pattern. Because we only can make an interference pattern if we erase the which-way information of the light path. If you erase the information about the’ which-way,’ we can observe a very high interference pattern. We can erase the information about the light path’s ’which-way’ or ’which-path’ by using a polarizer and orienting at 45^o. In this way, we can observe a very high pattern. If we introduce the angle of the polarizer at 0^o or 90^o, we see very low interference.

The optimal regime of three-photon resonant excitation of a helium atom by a femtosecond ul-traviolet (UV) pulse was discovered and numerically studied, at which the maximum power of the third harmonic of the UV field is achieved in the spectrum of dipole acceleration (the second time derivative of the induced dipole moment) of the atom. It is shown that the optimal frequency of the UV field nearly coincides with the frequency of the three-photon transition 1s2 – 1s2p, taking into account its shift as a result of the dynamic Stark effect, and the intensity of the UV field is dictated by the condition of maximizing the product of the populations of the 1s2 and 1s2p states, averaged over the time interval during which the UV field is non-zero. For the considered UV field durations, from 10 to 100 cycles of the carrier frequency (from units to tens of femtoseconds), the optimal intensity lies in the range from 10^14 W/cm^2 to several units of 10^14 W/cm^2. It is shown that with an optimal choice of the frequency and intensity of the UV field, the dynamics of excitation of bound and continuum states, as well as the shape of the time envelope of the dipole acceleration of the atom, weakly depend on the duration of the UV field envelope; only their time scale changes significantly. In addition, under the optimal conditions the average power of the third harmonic signal in the dipole acceleration spectrum is practically independent of the duration of the UV field envelope.

PdRe/Al2O3 catalysts are highly selective for hydrogenation of furfural to furfuryl alcohol (FAL). Moreover, synergy between the metals can result in greater specific activity (higher turnover frequency, TOF) than exhibited by either metal alone. Bimetallic catalyst structure depends strongly on the metal precursors employed and their addition sequence to the support. In this work, PdRe/Al2O3 catalysts were prepared by: (i) co impregnation (CI) and sequential impregnation (SI) of  Al2O3 using HReO4 and Pd(NO3)2, (ii) SI using NH4ReO4 and [Pd(NH3)4(NO3)2], (iii) HReO4 addition to a reduced and passivated Pd/Al2O3 catalyst, and (iv) impregnation with the double complex salt (DCS), [Pd(NH3)4(ReO4)2]. Raman spectroscopy and temperature-programmed reduction (TPR) evidence larger supported PdO crystallites in catalysts prepared using Pd(NO3)2 than [Pd(NH3)4(NO3)2]. Surface [ReO4]- species detected by Raman exhibit TPR peak temperatures from ranging 85 to 260°C (versus 375°C for Re/Al2O3). After H2 reduction at 400°C, the catalysts were characterized by chemisorption, temperature-programmed hydride decomposition (TPHD), CO diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), and scanning transmission electron microscopy (STEM) with energy-dispersive x-ray (EDX) spectroscopy. The CI catalyst containing supported Pd-Re alloy crystallites had a TOF similar to Pd/Al2O3 but higher (61%) FAL selectivity. In contrast, catalysts prepared by methods (ii-iv) containing supported Pd-Re nanoparticles exhibit higher TOFs and up to 78% FAL selectivity.

Network effects, economies of scale, and lock-in-effects increasingly lead to a concentration of digital resources and capabilities, hindering the free and equitable development of digital entrepreneurship (SDG9), new skills, and jobs (SDG8), especially in small communities (SDG11) and their small and medium-sized enterprises (“SMEs”). To ensure the affordability and accessibility of technologies, promote digital entrepreneurship and community well-being (SDG3), and protect digital rights, we propose data cooperatives [1,2] as a vehicle for secure, trusted, and sovereign data exchange [3,4]. In post-pandemic times, community/SME-led cooperatives can play a vital role by ensuring that supply chains to support digital commons are uninterrupted, resilient, and decentralized [5]. Digital commons and data sovereignty provide communities with affordable and easy access to information and the ability to collectively negotiate data-related decisions. Moreover, cooperative commons (a) provide access to the infrastructure that underpins the modern economy, (b) preserve property rights, and (c) ensure that privatization and monopolization do not further erode self-determination, especially in a world increasingly mediated by AI. Thus, governance plays a significant role in accelerating communities’/SMEs’ digital transformation and addressing their challenges. Cooperatives thrive on digital governance and standards such as open trusted Application Programming Interfaces (APIs) that increase the efficiency, technological capabilities, and capacities of participants and, most importantly, integrate, enable, and accelerate the digital transformation of SMEs in the overall process. This policy paper presents and discusses several transformative use cases for cooperative data governance. The use cases demonstrate how platform/data-cooperatives, and their novel value creation can be leveraged to take digital commons and value chains to a new level of collaboration while addressing the most pressing community issues. The proposed framework for a digital federated and sovereign reference architecture will create a blueprint for sustainable development both in the Global South and North.

Evaluation of biliary strictures remains a challenge due to the low sensitivity of standard diagnostic work up, but the introduction of direct single-operator cholangioscopy (DSOC) changed this paradigm. Aim of our study was to evaluate diagnostic performance of DSOC and DSOC-targeted biopsies, intraductal ultrasound (IDUS) and brush cytology in patients with indeterminate biliary stricture (IBS). We evaluated patients who underwent advanced diagnostic work up for IBS in our endoscopy unit from ‘01/2018 to ‘12/2022; all patients had at least one previous attempt to characterize the biliary stricture. Final diagnosis was based on surgical pathology and/or clinical and radiological follow-up of at least 12 months. A total of 57 patients with a mean age of 67.2 ± 10.0 years were included, with a mean follow up of 18.2 ± 18.1 months. IBS were mostly located in the distal common bile duct (45.6%) and final diagnosis was consistent with malignancy in 35 patients (61.4%). DSOC and IDUS showed a significantly higher accuracy (89.5% and 82.7% respectively) compared to standard cytology (61.5%, p <0.05). In our experience, DSOC visualization and IDUS both demonstrated an optimal diagnostic yield in the differentiation of IBS, with an acceptable safety profile both quantitatively and qualitatively.

This narrative review critically evaluates the multidimensional impacts of team sports on student wellness through the Wellness Wheel framework, encompassing physical, emotional, intellectual, social, spiritual, occupational, and environmental well-being. Methodologically, the review synthesizes empirical studies, systematic reviews, and meta-analyses from the last 20 years, extracted from databases such as PubMed, PsycINFO, Scopus, Web of Science, and Google Scholar, to construct a comprehensive understanding of how team sports contribute to holistic student development. Our findings highlight team sports as a vital component of educational and wellness programs, significantly enhancing not just physical health but also emotional stability, cognitive performance, social skills, spiritual enrichment, and environmental awareness. The review underscores the necessity of integrating team sports into educational curricula to promote a balanced and comprehensive approach to student well-being. It also identifies existing gaps in literature, particularly the need for further research on enhancing inclusivity and accessibility in team sports, ensuring that all students can benefit from their wide-ranging impacts. This study advocates for strategic initiatives to incorporate team sports in educational settings, emphasizing their essential role in cultivating a well-rounded, healthy, and inclusive student body.

The efficiency and performance of Proton Exchange Membrane Fuel Cells (PEMFCs) are primarily influenced by ORR electrocatalysts. In recent years, atomically dispersed met-al-nitrogen-carbon (M-N-C) catalysts have gained significant attention due to their high active center density, high atomic utilization, and high activity. These catalysts are now considered the preferred alternative to traditional noble metal electrocatalysts. The unique properties of M-N-C catalysts are anticipated to enhance the energy conversion efficiency and lower the manufac-turing cost of the entire system, thereby facilitating the commercialization and widespread ap-plication of fuel cell technology. This article initially delves into the origin of performance and degradation mechanisms of Fe-N-C catalysts from both experimental and theoretical perspectives. Building on this foundation, the focus shifts to strategies aimed at enhancing the activity and durability of atomically dispersed Fe-N-C catalysts. These strategies encompass the use of bi-metallic atoms, atomic clusters, heteroatoms (B, S, and P), and morphology regulation to optimize catalytic active sites. The article concludes by detailing the current challenges and future pro-spects of atomically dispersed Fe-N-C catalysts.

The increading emission of carbon dioxide to the atmosphere has urged the scientific community to investigate alternatives to alleviate such emissions being the principal contributor to the greenhouse gas effect. One major alternative is carbon capture and utilisation (CCU) towards the production of value-added chemicals using diverse technologies. This work aims at the study of the catalytic potential of different cobalt-derived nanoparticels for methanol syntheis from carbon dioxide hydrogenation. Thanks to its abundance and cost-efficacy, cobalt can serve as an economical catalyst compared to noble-metal-based catalysts. In this work, we present a systematic comparison among different cobalt and cobalt oxide nanocomposites in terms of their efficiency as catalysts for carbon dioxide hydrogenation to methanol as well as how different supports can enhance their catalytic capacity. The oxygen vacancies in the cerium oxide act as carbon dioxide adsorption and activation sites, which facilitates a higher methanol production yield.

In the FCC conversion of heavy petroleum fractions as atmospheric residues, the main challenge for refiners to achieve the quantity and quality of various commercial products depends essentially on the catalyst used in the process. A deep characterization of the catalyst at different steps of the process (fresh, regenerated, and spent catalyst) was investigated to study the catalyst's behavior including the physicochemical evolution, the deactivation factor, and kinetic-thermodynamic parameters. All samples have been characterized by various spectroscopy methods such as N2 adsorption-desorption, UV-visible spectroscopy, Raman spectroscopy, LECO carbon analysis, Scanning electron microscopy (SEM), X-ray diffraction (XRD), X‐ray fluorescence (XRF), nuclear magnetic resonance spectroscopy (NMR13C) analysis, and Thermogravimetric analysis. The results of N2 adsorption-desorption, UV-vis, Raman, LECO carbon, and SEM images showed that the main causes of catalyst deactivation and coking were the deposition of carbon species that covered the active sites and clogged the pores, and the attrition factor due to thermal conditions and poisonous metals. The XRD and XRF results showed the catalyst’s physicochemical evolution during the process and the different interlinks between catalyst and feedstock (Nickel, Vanadium, Sulfur, and Iron) elements which should be responsible for the coking and catalyst attrition factor. It has been found that, in addition to the temperature, the residence time of the catalyst in the process also has an influence on catalyst structure transformation. NMR13C analysis revealed that polyaromatic hydrocarbon is the main component in the deposited coke of the spent catalyst. Thermogravimetric analysis showed that the order of catalyst mass loss was fresh > regenerated > spent catalyst due to the progressive losses of the hydroxyl bonds (OH) and the structure change along the catalyst thermal treatment. Moreover, the kinetic and thermodynamic parameters showed that all zones are non-spontaneous endothermic reactions.

Using of the organic base tetramethylammonium hydroxides (TMAH) is a viable, cheap and fast route, for the MgZnAl-LDH type materials synthesis by both co-precipitation and mechano-chemical methods. TMAH provided several advantages as smaller quantity of water required in the washing step compared to the use of inorganic alkalis, prevention of LDH contamination with alkali cations, acting as template molecule in texture tailoring along with disadvantages as its presence in small quantities in the resulting layered materials. Regardless the use of organic / inorganic bases and co-precipitation / mechano-chemical methods, zincite stable phase was found in all the synthesized solids. The basicity of catalysts followed the trend: mixed oxides &gt; reconstructed &gt; parent LDH. The memory effect of LDH is supported only by the presence of Mg and Al cations, while Zn remains as zincite stable phase. The catalytic activities for Claisen-Schmidt condensation of benzaldehyde with cyclohexanone provided values higher than 90% after 2h, with a total selectivity in 2,6-dibenzylidenecyclohexanone, while in self-condensation of cyclohexanone no more than 7.29% after 5h. These behaviors depended on catalysts basicity as well as the planar rigidity of the compound.

This work focuses on the support effect on the performances of Co-based catalysts for the acetic acid steam reforming. SBA-15, a well ordered hexagonal mesoporous silica structure, and CeO2 have been selected as the supports, with the impact of chromium addition also being investigated. Better acetic acid steam reforming performances have been recorded for CeO2 compared to SBA-15 supported catalysts and, in particular, the 7Co/CeO2 catalyst showed the highest values of acetic acid conversions with enhanced H2 yields below 480°C, in comparison to the other investigated catalytic formulations. In addition, more pronounced coke depositions and acetone concentrations have been obtained with CeO2 supported catalysts, due to the tendency of ceria to catalyse the ketonization reaction. Chromium addition to Co/SBA-15 catalysts led to an enhancement in the activity towards acetic acid steam reforming, while on CeO2 supported catalysts no improvement in the catalysts activity was observed; however, on both SBA-15 and CeO2 supported catalysts, Cr addition reduced the amount of coke deposited on the catalysts surface.

A series of MgAl-layered double hydroxide (MgAl-HT), the calcined form at 500^oC (MgAlO_x) and the re-hydrated one at 25^oC (MgAl-HT-RH) were synthesized. Physicochemical properties of the catalysts were characterized by x-ray diffraction (XRD), scanning electron microscopy (SEM). Surface area of the as-synthesized, calcined and re-hydrated catalysts was determined by N₂ physisorption at -196^oC. CO₂-teperature programmed desorption (CO₂-TPD) was applied to determine the basic sites of catalysts. The catalytic test reaction was carried out using benzaldehyde and their derivatives with nitromethane and their derivatives. The Henry products (1-15) were obtained in a very good yield using MgAl-HT-RH catalyst either by conventional method at 90^oC in liquid phase, or under microwave irradiation method. The mesoporous structure and basic nature of re-hydrated solid catalyst were responsible for their superior catalytic efficiency. The robust nature was determined by using the same catalyst for five times, where the product % yield was almost unchanged significantly.

This comprehensive review has systematically examined the use of heterogeneous solid acid catalysts in the production of biodiesel from wastewater-derived sludge by using the PRISMA methodology. The manuscript highlighted the composition and characteristics of wastewater-derived sludge, presenting both the opportunities and challenges associated with its use as a feedstock for biodiesel production. Various types of catalysts were dis-cussed, with a detailed exploration of heterogeneous solid acid catalysts, including zeolites, hetero-polyacid (HPA), mixed metal oxides, and sulphonic acid group catalysts. The advantages and limitations of these catalysts were critically analyzed, providing a balanced view of their potential in industrial applications. The application section delved into the catalytic transesterification reaction, mechanisms of biodiesel production, and the effects of catalyst loading on yield. Performance metrics such as catalytic activity, stability, recyclability, cost-effectiveness, and environ-mental impact were thoroughly evaluated, offering a clear understanding of the efficacy of these catalysts. Synthesis and characterization techniques were also reviewed, shedding light on the latest preparation methods and characterization techniques. Recent advances in catalyst development were presented, showcasing the innovative strides made in enhancing catalyst performance. The environmental and economic implications of using solid acid catalysts for bio-diesel production were assessed, emphasizing the importance of sustainability and economic viability.

The removal of sulfur from fossil fuels is one of the most important processes in modern refineries. It is accomplished via hydrodesulfurization (HDS) of the sulfur organic compounds in presence of heterogeneous catalysts. In the current work, heterogeneous catalysts containing cobalt and mo-lybdenum supported on mesoporous materials type SBA-15 and AlSBA-15 were synthesized for application in the HDS reactions of thiophene in n-heptane stream. The mesoporous materials were synthesized by hydrothermal method starting from TEOS, pseudobohemite, hydrochloric ac-id and water. Pluronic P123 was used as template. The best calcination conditions for removal of the organic template were optimized by thermogravimetry analysis (TG/DTG). The calcined SBA-15 and AlSBA-15 supports were submitted to co-impregnation with solutions of cobalt nitrate and ammonium heptamolybdate, aiming the production of 15% in mass of metal loading with atomic ratio of [Co/(Co+Mo)]=0.45. The obtained materials were dried and calcined for obtaining the mesoporous catalysts in the form of CoMo/SBA-15 and CoMo/AlSBA-15. The catalysts were char-acterized by XRD, TG/DTG, SEM and nitrogen adsorption. From XRD analysis, it was verified that after decomposition of the cobalt and molybdenun salts, were formed MoO3, Co3O4 and Co-MoO4 oxides on the supports, being attributed to these chemical species the activity for the HDS reactions. The activity of the obtained catalysts was evaluated in a continuously flowing tubular fixed-bed microreactor coupled on-line to a gas chromatograph, using n-heptane stream contain-ing 12070 ppm of thiophene (ca. 5100 ppm of sulfur) as a model compound. From the catalytic tests it was verified that the synthesized catalysts presented good activity for the reaction, and the main obtained products were cis- and trans-2-butene, 1-butene, n-butane and low amounts of iso-butane. The presence of 1,3-butadiene and tetrahydrothiophene (THT) were not detected. A mechanism of the primary and secondary reactions and subsequent formation of the olefins and paraffins, in the CoMo/SBA-15 and CoMo/AlSBA-15 mesoporous catalysts were proposed, con-sidering steps of desulfurization, hydrogenation, dehydrogenation, THT decyclization and isomerization.

Four different Mn and Re catalysts for electrochemical CO2 reduction have been studied by IR spectroelectrochemistry (SEC) in dry acetonitrile. In the case of Mn(apbpy)(CO)3Br (apbpy= 4(4-aminophenyl)-2,2’-bipyridine) SEC suggests that a very slow catalytic reduction of CO2 occurs in acetonitrile also in the absence of proton donors, but at rather negative potentials. On the contrary, the corresponding Re(apbpy)(CO)3Br clearly displays a slow catalytic conversion already at the first reduction potential. Switching to saturated CO2 solutions in a mixture of acetonitrile and 5% of water as proton donor, the SEC of Mn(apbpy)(CO)3Br displays faster catalytic behavior.

Herein, we report about the monometallic Ni and bimetallic Pd-Ni catalysts supported on CeO2-Al2O3 binary oxide, which were investigated in oxy-steam reforming of methanol (OSRM). Monometallic and bimetallic supported catalysts were prepared by wet aqueous impregnation and subsequent impregnation method, respectively. The physicochemical properties of the catalytic systems were investigated using various methods such as: BET, XRD, TPR-H2, TPD-NH3, XPS and SEM-EDS techniques. It has been proven that the addition of palladium to the nickel catalyst facilitates its reduction. The activity tests performed for all catalysts confirmed the promotion effect of palladium on catalytic activity of nickel catalyst and selectivity towards hydrogen production. Both nickel and bimetallic palladium-nickel supported catalysts showed excellent stability during the reaction. Such catalytic systems are valuable for the advance of the field of fuel cell technology.

The catalytic decomposition of methane (CDM) process produces hydrogen in a single stage and avoids the CO₂ emission thanks to the formation of high added value carbon nanofilaments as by-product. In this work, Ni monometallic and Ni-Co, Ni-Cu and Ni-Fe bimetallic catalysts are tested in the CDM reaction for the obtention of fishbone carbon nanofibers (CNF). Catalysts, in which Al₂O₃ is used as textural promoter in their formulation, are based on Ni as main active phase for the carbon formation and on Co, Cu or Fe as dopants in order to obtain alloys with an improved catalytic behaviour. Characterization of bimetallic catalysts showed the formation of particles of Ni alloys with a bimodal size distribution. For the doping content studied (5 mol. %), only Cu formed an alloy with a lattice constant high enough to be able to favor the carbon diffusion through the catalytic particle against surface diffusion, resulting in higher carbon formations, longer activity times and activity at 750 °C, where Ni, Ni-Co and Ni-Fe catalysts were inactive. On the other hand, Fe also improved the undoped catalyst performance presenting a higher carbon formation at 700 °C and the obtention of narrow carbon nanofilaments from active Ni₃Fe crystallites.

Biological parameters extracted from electrical signals from various body parts have been used for many years to analyze the human body and its behavior. In addition, electrical signals from cancer cell lines, normal cells, and viruses, among others, have been widely used for the detection of various diseases. Single-cell parameters such as cell and cytoplasmic conductivity, relaxation frequency, and membrane capacitance are important. There are many techniques available to characterize biomaterials, such as scanning tunneling microscopy (STM), nanotechnology, microstrip cavity resonance measurement, dielectric impedance measurement (DEPIM), etc. This article reviews the single cell isolation and sorting techniques, summarizes the common single cell operations such as impedance flow cytometry, cell electrical impedance, electrical impedance sensing, and summarizes the current single cell analysis techniques and their applications.

Microscale surgery on single cells and small organisms have enabled major advances in fundamental biology and in engineering biological systems. Examples of applications range from wound healing and regeneration studies to the generation of hybridoma to produce monoclonal antibodies. Even today, these surgical operations are often performed manually, but they are labor-intensive and lack reproducibility. Microfluidics has emerged as a powerful technology to control and manipulate cells and multicellular systems at the micro- and nanoscale with high precision. Here, we review the physical and chemical mechanisms of microscale surgery, and the corresponding design principles, applications, and implementations in microfluidic systems. We consider four types of surgical operations: 1) Sectioning, which splits a biological entity into multiple parts, 2) ablation, which destroys part of an entity, 3) biopsy, which extracts materials from within a living cell, and 4) fusion, which joins multiple entities into one. For each type of surgery, we summarize the motivating applications and the microfluidic devices developed. Throughout the review, we highlight existing challenges and opportunities. We hope that this review will inspire scientists and engineers to continue to explore and improve microfluidic surgical methods.

Layered double hydroxides (LDHs) have emerged as promising catalysts for various acid-base catalytic reactions. Due to their unique structure and regulatable dual acid-base properties, they offer more environmentally friendly and sustainable alternatives to traditional liquid acid and base catalysts. This study introduces the structural composition, preparation methods, and acid-base catalytic properties of LDHs-based catalysts. Recent application progress of LDHs and rehydrated LDHs, LDHs-based metal nanocatalysts, and LDHs-based mixed metal oxide catalysts used as solid acid-base catalysts in acid-base green catalytic conversion is reviewed. The challenges and prospects of LDHs-based catalysts as green and sustainable catalysts are summarized and proposed.

Electrochemical Promotion was used to modify the activity and selectivity of a Rh catalyst-electrode in the CO2 hydrogenation reaction. The experiments were carried out in a temperature range of 350-430οC at ambient pressure and at different CO2 to H2 gas feeding ratios (1:2 to 4:1). The only reaction products observed were CO and CH4, both under open and closed-circuit conditions. The CH4 formation rate was found to increase with both positive and negative potential or current application. The CO formation rate followed the opposite trend. The selectivity to CH4 increased under high values of hydrogen partial pressure and decreased at high pressures of CO2. The results demonstrate how Electrochemical Promotion can be used to finely tune activity and selectivity for a reaction of high technical and environmental importance.

This work is devoted to the study of active and stable nickel catalysts for methane dry reforming based on Pr-doped ceria-zirconia obtained by solvothermal continuous method. The studies of physicochemical and catalytic properties of the 5%Ni\Ce0.75Zr0.25-xPrxO2 series showed that Pr introduction leads to an increase in the amount of highly reactive oxygen of the oxide lattice. Praseodymium-based catalysts showed significantly higher reactant conversions. In addition to the nature of support, the method of nickel introduction was also studied - Ni was added both by impregnation and one-pot with mixed oxide preparation. The method of Ni addition was shown to have significant effect on the morphology of the supported active component and, respectively, on the catalytic activity. The 5%Ni/Ce0.75Zr0.15Pr0.1O2 catalyst prepared by one-pot method showed stable operation in the MDR reaction for 30 hours at CO2 and CH4 conversions of ~40% and an H2 yield of ~18% (Т=700°С, τ=10ms).

In this work the influence of the structure forming agent on the composition, morphology and oxygen reduction reaction (ORR) activity of Fe-N-C catalysts was investigated. As structure forming agent (SFA), dicyandiamide (DCDA) (nitrogen source) or oxalic acid (oxygen source) or mixtures thereof were used. For characterization, cyclic voltammetry and rotating disc electrode (RDE) experiments were performed in 0.1 M H2SO4. In addition to this, N2 sorption measurements and Raman spectroscopy were performed for the structural characterization. The role of metal, nitrogen and carbon sources within the synthesis of Fe-N-C catalysts has been pointed out before. Here, we show that the optimum in terms of ORR activity is achieved if both N- and O-containing SFAs are used in almost similar fractions. All catalysts display a redox couple, whereat its position depends on the fractions of SFAs. The SFA has also a strong impact on the morphology: Catalysts that were prepared with a larger fraction of N-containing SFA revealed a higher order in graphitization, indicated by bands in the 2nd order range of the Raman spectra. Nevertheless, the optimum in terms of ORR activity is obtained for the catalyst with highest D/G band ratio. Therefore, the results indicate that the presence of an additional oxygen-containing SFA is beneficial within the preparation.

Worldwide emission standards are now required to cover engine operation under extreme ambient conditions, which affect the raw emissions and the efficiency of the exhaust aftertreatment systems. These regulations also target new combustion technologies for decarbonization, such as neat hydrogen (H2) combustion or dual-fuel strategies, which involve a challenge to the analysis of exhaust aftertreatment systems requirements and performance. This work addresses the impact of high altitude and low ambient temperature conditions on the reactivity of an oxidation catalyst in the presence of H2. A reaction mechanism is proposed to cover the main conversion paths of CO, HC, and H2, including the formation and consumption of high-energy surface reaction intermediates. The mechanism has been implemented into a faster-than-real-time reduced-order model for multi-layer washcoat honeycomb catalytic converters. The model was utilized to investigate the effect of H2 concentration on the reactivity of CO and HC within the catalyst under various operating and ambient conditions. By applying the model and examining the selectivity towards different reaction pathways in the presence H2, insights into surface intermediates and reactivity across different cross-sections of the monolith were obtained. This analysis discusses the underlying causes of reactivity changes promoted by H2 and its relative importance as a function of driving boundary conditions.