Nuclear DNA mutations, mitochondrial DNA mutations, combined nuclear and mitochondrial DNA defects, and random occurrences are the main causes of mitochondrial disease. Black pigmentation loss is a major sign of Parkinsonism. Because of the loss of dopaminergic neurons in the substantia nigra, it drops to less than 80%. The degree of motor impairment was correlated with the amount of black pigmentation loss. After RNA extraction, reverse transcription is carried out because reverse transcriptase was used to create cDNA. One microliter of total RNA supplemented with IORT Buffer, dNTPs, random hexamers, Multi-Scribe Reverse Transcriptase, and nuclease-free was used to create cDNA. The following was how the reaction was carried out in a thermal cycler: 10 minutes at 25°C, 120 minutes at 37°C, 5 seconds at 85°C, and lastly 4°C. The data was expressed as a v-value, which shows how much the target gene is enriched in comparison to the reference gene. Earlier research using mice injected with functional HtrA2/Omi protease activity revealed similar outcomes, including induced up-regulation of CHOP, decreased mitochondrial function, and early brain cell aging because of an increase in mtDNA deletions. The cell viability of the genotypes exhibits a dmg concentration-dependent effect in these results, suggesting that high content ratios of drug treatment with 6-OHDA may be the cause of cellular content depletion. After 6-OHDA neurotoxin treatment, CHOP is up-regulated. Prior in vitro research has shown that treatment with a model based on 6-OHDA neurotoxin causes the activation of mitochondrial stress pathways, which in turn promotes the death of neurons. 6-OHDA reversibly inhibited complexes I and IV's activities in rat brain cells, which led to dopaminergic neurodegeneration, a defining feature of PD pathogens. As a result, the number of living cells will directly correlate with the dmg concentration, supporting the results of the current study. Real-time PCR can generally demonstrate that the removal of HtrA 2 results in a significant up-regulation of Hsp60 expression when compared to WT cells. This could be linked to a decreased threshold for mitochondrial stress in HtrA2 KO cells, which would explain why, following ADEP4 and ACP5 treatment, Hsp60 is significantly up-regulated in HtrA2 KO cells compared to WT cells.

Cannabidiol (CBD) is a safe and non-psychotropic phytocannabinoid with a wide range of potential therapeutic antiinflamatory and antioxidant activity. Due to its lipophilicity, it is normally available dissolved in oily phases. The main aim of this work was to develop and characterize a new formulation of a microemulsion with a potential anti-inflammatory and antioxidant action for topical treatment of inflammatory skin disorders. The micro-emulsion system was obtained from a 20% CBD oil as hydrophobic phase, Labrasol/Plurol Oleique (1:1) as surfactant and cosurfactant (S/CoS) respectively and an aqueous vegetal extract obtained from S. ebulus L. ripe fruits, with a potential anti-oxidant and anti-inflammatory activity, as water phase. A pseudo-ternary phase diagram was elaborated, selecting an optimal proportion of 62% (S/CoS), 27% CBD oil and 11% water and, after testing its reproducibility, the aqueous phases were replaced by the vegetal hydrophilic extract. The defined systems were characterized in terms of conductivity, droplet size by laser scattering, compatibility of components by differential scanning calorimetry and rheological properties using a rotational rheometer. The designed microemulsion showed good stability and a slight pseudo-plastic behavior. The release properties of CBD from the oil phase and caffeic acid from the water phase of the microemulsion were studied by in vitro diffusion experiments using flow-through diffusion cells in comparison to a CBD oil and a microemulsion only with CBD as active substance. It was evidenced that the inclusion of the original oil in microemulsions did not provoke a significant modification of the release of CBD, incorporating the possibility of including hydrophilic active compounds in the formulation, stablishing an interesting strategy for the development of future formulations.

This study investigates the potential of a hybrid nanofluid composed of MoS2 and ZnO nanoparticles dispersed in engine oil, aiming to enhance the properties of lubricant's chemical reaction with the Soret effect on stretching sheet under the influence of applied magnetic field. With the growing demand for efficient lubrication systems in various industrial applications, including automotive engines, the development of novel nanofluid-based lubricants presents a promising avenue for improving engine performance and longevity. However, the synergistic effects of hybrid nanoparticles in engine oil remain relatively unexplored. This research addresses this gap by examining the thermal conductivity, viscosity, and wear resistance of the hybrid nanofluid, shedding light on its potential as an advanced lubrication solution. By analyzing the dispersion stability and interaction mechanisms between nanoparticles and base oil, valuable insights are gained into the fundamental aspects governing the entertainment of hybrid nano lubricants. Overall, the objectives of studying hybrid nano lubricant MoS2+ZnO with engine oil aim to advance the development of more efficient and durable lubrication solutions for automotive engines, contributing to improved reliability, fuel efficiency, and environmental sustainability. Governing non-linear partial differential equations are simplified as ordinary differential equations by utilizing similarity variables. MATLAB Bvp4c technique is used to solve the obtained linear ODE equations. The outputs are presented through graphs and tables for various state variables. The comparative survey in all the graphs is presented for the nanofluid (MoS2/Engine oil) with the hybrid nanofluid (MoS2+ZnO/Engine oil). These graphs show the effect of various parameters M, Q, β, Pr, Ec, Sc, Sr, Kp, Kr and (hybrid nano lubricant parameter). The velocity profile diminished against the values of M, Kp, and β. Temperature profile rising with Ec and Q. reciprocally goes down to Pr. The concentration profile incremented with the value of Sr and decremented with the value of Sc, and Kr. With the increasing value of both f′ (η) and θ(η) increases. But in θ(η) hybrid nanofluid slows down with the higher value of .

Being able to express broad families of equivariant or invariant attributed graph functions is a popular measuring stick of whether graph neural networks should be employed in practical applications. However, it is equally important to learn deep local minima of losses (i.e., with much smaller loss values than other minima), even when architectures cannot express global minima. In this work we introduce the architectural property of attracting GNN optimization trajectories to local minima as a means of achieving smaller losses. We take first steps in satisfying this property for losses defined over attributed undirected unweighted graphs with a novel architecture, called Universal Local Attractor (ULA). The latter refines each dimension of end-to-end trained node feature embeddings based on graph structure to track the optimization trajectories of losses satisfying some mild conditions. The refined dimensions are then linearly pooled to create predictions. We experiment on 10 tasks, from node classification to clique detection, on which ULA is comparable with or significantly outperforms popular alternatives of similar or greater theoretical expressive power.

For concrete structures exposed to offshore areas, chloride ion erosion is one of the main factors affecting the durability. It is crucial to evaluate chloride ion permeability resistance of concrete structures. In this article, a finite element simulation of the chloride ion diffusion process in concrete is conducted. A mass diffusion finite element model based on random aggregate approach is established to investigate the influence of aggregate, interface transition zone, and micro-cracks on chloride ion diffusion coefficients in concrete. The results show that the mass diffusion finite element analysis based on the exponential function model and power function model can effectively simulate the chloride ion diffusion process in concrete. In addition, the data reveal that coarse aggregate is the most important factor affecting chloride ion diffusivity in concrete. However, the interface transition zone significantly accelerates chloride ion diffusion in concrete. Moreover, this acceleration effect exceeds the barrier effect of aggregate.

Background: The Coronavirus Disease 2019 (COVID-19) pandemic presented a new challenge in modern medicine. The development of vaccines was followed by massive population vaccinations. A few reports on post-vaccination allergic reactions have made patients and medical personnel uneasy as to anti-COVID-19 vaccines’ allergising potential. Most of the studies in this area to date have been small, and some that were based on global databases skipped most of the allergic diseases and concentrated only on anaphylaxis. We aimed to analyse the incidence of serious allergic reactions based on the EudraVigilance (EV) database, regardless of the reported symptoms and allergy mechanism. Methods: The total number of administrated vaccine doses was extracted on the 5th October 2023 from Vaccine Tracker and included all administrations since vaccinations began in the European Economic Area (EEA). Data on serious allergic reactions to COVID-19 vaccines was extracted from the EudraVigilance database with the same time point. The code names of 147 allergic symptoms or diseases were used. Results: The frequency of serious allergic reactions per 100,000 administered vaccine doses was 1.53 for Comirnaty, 2.16 for Spikevax, 88.6 for Vaxzevria, 2.11 for Janssen, 7.9 for Novavax, 13.3 for VidPrevtyn Beta and 3.1 for Valneva. The most prevalent reported reactions were oedema (0.46) and anaphylaxis (0.40). Only 6% of these reactions were delayed hypersensitivity-oriented. Conclusions: The overall frequency of potential serious allergic reactions to COVID-19 is very rare. Therefore, COVID-19 vaccines seem to be safe for human use. The lowest frequency of allergic reaction was observed for Comirnaty and the highest for Vaxzevria.

Modern organic synthesis is majorly focused on developing environmentally benign synthetic protocols by employing green chemistry principles. Accordingly, in our recent research work, we herein report the use of modified supramolecular host cyclodextrin as an effective solid based green catalyst for accessing structurally diverse and medicinally relevant pyrimidone architectures. The catalyst and the synthesized compounds 4 (a-r) were characterized using FT-IR, NMR and GC-Mass spectroscopy. Major highlights of the reported work include: atom economical process, extremely milder reaction conditions, operational simplicity, high isolated yields, and excellent catalyst turnover number. The molecular docking studies suggest that the compound 4n has the hydrogen bonding, hydrophobic and π-pair interactions with the active site of active sites of CXT M 15 receptor.

This paper constituted an extension of two previous studies concerning the mathematical development of the grain boundary grooving in polycrystalline thins films in the cases of the evaporation/condensation and diffusion taken separately. The thermal grooving processes are deeply controlled by the various mass transfer mechanisms of evaporation–condensation, surface diffusion, lattice diffusion, and grain boundary diffusion. This study proposed a new original analytical solution to the mathematical problem governing the grain groove profile in the case of simultaneous effects of evaporation-condensation and diffusion in polycrystalline thin films submitted to thermal and mechanical stress, and fatigue effects; by resolving the corresponding fourth-order partial differential equation ∂y∂t=C∂2y∂x2-B∂4y∂x4 obtained from the approximation y'2≪1. The comparison of the new solution to that of diffusion alone proved an important effect of the coupling of evaporation and diffusion on the geometric characteristics of the groove profile. A second analytical solution based on the series development was also proposed. It was proved that change of the boundary conditions of the grain grooving profile largely affected the different geometric characteristics of the groove profile.

Lung cancer is the leading cause of cancer death worldwide therefore studies about the etiological factors and carcinogenesis are important.The aim of the study is to detect the presence and types of Human papilloma virus (HPV) in lung cancer and non-tumoral lung and Epidermal Growth Factor Receptor (EGFR) mutation prevalance in lung cancer with Polymerase Chain Reaction (PCR) method.Fifty patients who were histopathologically diagnosed lung cancer and 7 patients with non-neoplastic lung disease were enrolled in the study. HPV positivity was detected in 75.4% of the patients. The rate of high-risk HPV positivity was 100% in adenocarcinomas, 64.5% in squamous cell carcinomas, and 57% in non-neoplastic lung. HPV 51 was the most frequent type followed by HPV 16 (43.9%). There was no statistically significant relationship between HPV infection and age, gender and smoking history and EGFR mutation. The prevalence of HPV positivity is variable in lung cancer in different studies and this may be due to many factors including HPV detection methods, number of patients, geographic regions. New studies about the role of HPV infection need to be performed in order to obtain information about the use of prophylactic and theurepatic agents in lung cancer.

In spite of prevalence gaps in several micronutrients supporting immune function, significance of their deficits/supplementation for efficacy of vaccines is underinvestigated. Thus, influence of supplementation combining vitamins C and D, zinc, selenium and manganese, and N-acetyl-cysteine on mouse IgG responses and underlying mechanisms to seasonal quadrivalent influenza vaccine (QIV) was investigated. QIV was given in two doses (28 days apart). The supplementation starting 5 days before the first injection increased the total serum IgG titre, through stimulation of germinal centre (GC) reaction in secondary lymphoid organs (SLOs), as indicated by increase in the frequency of GC B cells and follicular CD4+ T helper (Th) cells, and IL-21-producing Th cells. Additionally, the supplementation “optimized” IgG response following the second QIV injection by supporting more favorable (in respect to virus clearance) IgG2a response through favoring Th1 differentiation as indicating by Th1 (INF-γ) /Th2 (IL-4) signature cytokine level ratio upon QIV restimulation in SLO cell cultures. This most likely reflected partly their antioxidant action (as indicated by redox status analyses) on Th cell differentiation. Thus, the study forms solid base for further research aimed at repurposing use this safe and inexpensive micronutrient combination as an adjuvant for virus influenza vaccine.

Density functional theory (DFT) calculations of hydrogen adsorption on titanium nitride had previously shown that hydrogen may adsorb on both titanium and nitrogen sites with a moderate adsorption energy. Further, the diffusion barrier was also found to be low. These findings may qualify TiN, a versatile multifunctional material with electronic conductivity, as electrode material for the hydrogen evolution reaction (HER). This was the main impetus of this work which aims to experimentally and theoretically investigate the electrocatalytic properties of TiN-layers that were processed on Ti substrate using reactive ion sputtering. The properties are discussed focusing on the role of oxygen defects introduced during the sputtering process on the HER. Based on DFT calculations, it is shown that these oxygen defects alter the electronic environment of the Ti atoms which entails a low hydrogen adsorption energy in the range of -0.1 eV; this leads to HER performances that match those of Pt-NPs in acidic media. When a few nanometr thick layer of Pd-NPs is sputtered on-top of the TiN-layer, the performance is drastically reduced. This is interpreted in terms of oxygen defects being scavenged by the Pd-NPs near the surface which is thought to reduce the hydrogen adsorption sites.

The theory of heavy ion double charge exchange (DCE) reactions proceeding by effective rank–2 isotensor interactions is presented. Virtual pion–nucleon charge exchange interactions are investigated as the source for induced isotensor interactions, giving rise to the Majorana DCE (MDCE) reaction mechanism. MDCE is of a generic character, proceeding through pairs of complementary (π±,π∓) reactions in the projectile and target nucleus. The dynamics of the elementary processes is discussed where the excitation of pion–nucleon resonances are of central importance. Investigations of initial and final state ion–ion interactions show that these effects are acting as vertex renormalizations. In closure approximation, well justified by the finite pion mass, the second order transition matrix elements reduce to pion potentials and effective two–body isotensor DCE interactions, giving rise also to two–body correlations in either of the participating nuclei. Connections to neutrinoless Majorana double beta decay (MDBD) are elucidated at various levels of dynamics, from the underlying fundamental electro–weak and QCD scales to the physical scales of nuclear MDBD and MDCE physics. It is pointed out that heavy ion MDCE reactions may also proceed by competing electro–weak charge exchange processes, leading to lepton MDCE by electrons, positrons, and neutrinos.

This research paper focuses on the synthesis and characterization of Cu-doped Mg-Co ferrites with varying compositions (Mg_0.6-xCo_0.4Cu_xFe₂O₄, where x = 0.0, 0.1, 0.2, and 0.3) using a solid-state reaction method. This paper also investigates the structural, morphological, magnetic, and electrical characteristics of synthesized Mg_0.6-xCo_0.4Cu_xFe₂O₄, where x = 0.0, 0.1, 0.2, and 0.3. The X-ray diffraction (XRD) technique confirms the ferrites spinel structure in the Fd-3m space group, with average crystallite sizes ranging from 57.29 to 48.57 nm. Fourier Transform Infrared (FTIR) spectroscopy verifies chemical and structural changes, while scanning electron microscopy (SEM) reveals cubic crystal growth with an average grain size of 1 to 1.5 μm. DC electrical resistivity decreases with increasing temperature and Cu²⁺ substitution, ranging from 1.4 x 10⁶ Ω-cm to 6.7 x 10⁵ Ω-cm. The study suggests a correlation between resistivity and Cu²⁺ concentration. Magnetic behaviour, studied using a Vibrating Sample Magnetometer (VSM), shows dependence on dopant concentration, with coercivity ranging from 157 Oe to 256 Oe. The results indicate potential applications in magnetic storage devices, antennas, transformers, and high-frequency electronics.

Novolac phenol-formaldehyde resins have gained extensive commercial utilization across diverse applications due to their exceptional mechanical, thermal, and chemical resistance properties. In this investigation, we successfully synthesized a traditional novolac, and a biobased novolac phenol-formaldehyde resin by partially substituting phenol with a bio-oil obtained from the organic phase resulting from the fast pyrolysis of pinewood biomass. Despite extensive investigations into the curing behavior of novolac resins crosslinked with hexamethylenetetramine (HMTA) through numerous model-fitting cure kinetic studies, a comprehensive model for predicting the crosslinking of bio-based phenol-formaldehyde resins in the presence of HMTA has not yet been studied. The primary objective of this research was to compare and apply several commonly used kinetic models to predict the degree of curing and cure rate of the synthesized resins, using DSC dynamic measurements. Our results demonstrated that the autocatalytic model exhibited excellent fitting for the traditional novolac resin and HMTA mixture, while the Kamal model showed better fitting with the experimental data obtained for the bio-based phenol-formaldehyde resin and HMTA system. In addition, the results evidenced a significant drop in the curing temperature by partially replacing phenol with bio-oil. Additionally, the results revealed a notable reduction in curing temperature when phenol was partially substituted with bio-oil. This substitution not only offers environmental benefits but also promotes energy efficiency and enhances production safety. The data collected in this study is pivotal for our subsequent research endeavors, which aim to develop environmentally sustainable materials optimized for use in 3D printing manufacturing processes.

Drug hypersensitivity reactions (DHR) to platinum-based compounds (PC) are on the rise, and their personalized and safe management is essential to enable first-line treatment of these cancer patients. This study aimed to evaluate the usefulness of basophil activation test by flow cytometry (BAT-FC) and the newly developed sIgE-microarray and BAT-microarray in diagnosing IgE-mediated hypersensitivity reactions to PC. 24 patients with DHR to PC (20 oxaliplatin and four carboplatin) were evaluated: 13 patients diagnosed as allergic with positive skin tests (STs) or drug provocation tests (DPTs), six patients diagnosed as non-allergic with negative STs and DPTs, and five patients classified as suspected allergic because DPTs could not be performed. In addition, four carboplatin-tolerant patients were included as controls. BAT-FC was positive in 2 of 13 allergic patients, with a sensitivity of 15.4% and specificity of 100%. However, the sIgE- and BAT-microarrays were positive in 11 of 13 DHR patients, giving a sensitivity of over 84.6% and a specificity of 90%. Except for one patient, all samples from the non-allergic and control group were negative for the sIgE- and BAT-microarrays. Our experience indicates that sIgE- and BAT-microarray could be helpful in the endophenotyping of IgE-mediated hypersensitivity reactions to PC and may provide an advance in decision-making for drug provocation testing.

This study aimed to evaluate the effects of Blazepod technology when incorporated with various training regimens on the essential elements of physical fitness in volleyball, such as agility, speed, visual response time, and vertical leap. Thirty-six participants (age :17.33±0.48 y, height: 183.78±6.34 cm, weight: 77.14±5.16 kg) were in-volved in this study. In randomized design, three equal groups with two experimental groups and one control group were involved in the study over a period of six weeks: (GE1) used Blazepod technology to workout at a low level; (GE2) used Blazepod technology to workout at a higher intensity; (CG) did not employ Blazepod technology, but it adhered to the same fundamental training curriculum. We conducted agility, speed, reaction time, and vertical jump tests before, midway and after the study to determine optimal training volume, intensity, and frequency. A significant main effect of time (P0.01), and time×group interaction (P>0.001) were found for all tests. Post hoc test showed that the two experimental groups gadget significantly improved in all performance variables (P

In an effort to enhance the efficiency and safety of open-pit mines, this study explores the optimization of end slope road parameters and slope structures, specifically focusing on unmanned driving lanes.A significant aspect of the study is the development of a truck trajectory offset model, which considers the different reaction times between automated sensors and human drivers in adapting to environmental changes. To test these concepts, the study uses numerical simulations to confirm the stability of the proposed end slope designs. Using Victory West Mine No. 1 as a case study, the research determines the optimized width for unmanned driving lanes and the maximum angle for safe steepening of end slopes. The findings indicate that the optimized unmanned lane width for NTE240 mining dump trucks is 1743 mm, allowing for a 2-degree increase in the slope angle at the south end slope. This optimization leads to a steep mining stripping volume of 3.2735 million m³ and a coal output of 2.49628 million tons, maintaining a stripping ratio of 1.31m³/t. These results demonstrate that the unmanned driving road width optimization not only ensures slope safety but also significantly boosts the economic benefits of steep mining in open-pit mines.

This study presents the interaction with human host metabolism of SARS-CoV-2 ORF7b protein (43 aa), using a Protein-Protein-Interaction Networks analysis. After pruning, we selected from BioGRID the 51 most significant proteins among 2,753 proven interactions and 1,708 interactors, specific to ORF7b. We used these proteins as functional seeds and we got a significant network of 551 nodes via STRING. We performed topological analysis and calculated topological distributions by Cytoscape. Seven high ranked proteins as hub and seven as bottleneck following a hub-and-spoke network-architectural-model were found. Through this interaction model, we identified significant GO-processes (5,057 terms in 15 categories) induced in human metabolism by ORF7b. High statistical significance processes of dysregulated molecular cell mechanisms by the action of ORF7b were discovered. We detected disease-related human proteins and their involvement in metabolic roles, how they relate in a distorted way to signaling and/or functional systems, in particular intra- and inter-cellular signaling systems and the molecular mechanisms that supervise to programmed cell death, with mechanisms similar to that of cancer metastasis diffusion. A cluster analysis showed 10 compact and significant functional clusters, where two of them overlap in a Giant-Connected-Components core of 206 total nodes. These two clusters contain most of the high-rank nodes. ORF7b mainly acts through these two clusters, inducing most of the metabolic dysregulation. We conducted a co-regulation, transcriptional analysis by hub and bottleneck proteins. This analysis allowed us to define the transcription factors and miRNAs that control the high-ranking proteins and the dysregulated processes, within the limits of the poor knowledge that these sectors still impose.

Noninvasive brain stimulation technique can be used for modulation of motor behaviors such as reaction time (RT). The main aim of this study was to investigate whether RT during a sequential visual isometric pinch task (SVIPT) can be affected by anodal transcranial direct current stimulation (a-tDCS) over three different stimulation sites such as dorsolateral prefrontal cortex (DLPFC), primary motor cortex (M1) or posterior parietal cortex (PPC). We also aimed to assess if stimulation of these cortical sites affect the transfer of learning during SVIPT. A total of 48 right-handed healthy participants were randomly assigned to one of the four a-tDCS groups: 1) left M1, 2) left DLPFC, 3) left PPC and 4) sham. A-tDCS was applied concurrent with SVIPT in which the participants were precisely controlled their forces to reach seven different target forces from 10 to 40% of maximum voluntary contraction (MVC) presenting on a computer screen with right dominant hand. Four test blocks were randomly performed at baseline and 15 min after the intervention including sequence and random blocks with either hand. Our results showed significant differences between a-tDCS groups on ratio RT in the sequence blocks of both the right trained (P = .041) and left untrained hands (P = .023) for target forces of 15% and 30 % of MVC, respectively. In sequence blocks, M1 showed significant elongation in ratio RT for the target force of 15% and 30 % MVC compared to PPC and Sham groups in the right hand. In sequence blocks with left hand, this negative effect were found between M1-DLPFC and M1-Sham groups. In random blocks, no significant differences were found among four groups at each target forces for the left hand while there were significant differences for 15% (P =. 04) and 40% MVC (P =. 035) in the right hand. Our findings suggest that three different stimulation sites (DLPFC, M1 or PPC) were differentially affected by a single session of a-tDCS at some target forces during SVIPT. The effects of a-tDCS on ratio RT were transferred in the left untrained hand for sequence blocks but not random blocks. Further research is needed to understand fundamental aspects of these main areas of the brain on temporal processing in a precision control task such as SVIPT.

The quinoline derivative, N-(7-chloro-4-morpholinoquinolin-2-yl)benzamide, was synthesized in a conventional three-step procedure from 4,7-dichloroquinoline using N-oxidation reaction/C2-amidation reaction/C4 SNAr reaction sequence. The structure of the compound was fully characterized by FT-IR, 1H‐, 13C-NMR, DEPT-135°, and ESI-MS techniques. Its physicochemical parameters (Lipinski’s descriptors) were also calculated using the online SwissADME database. Such derivatives are relevant therapeutic agents exhibiting potent anticancer, antibacterial, antifungal, and antiparasitic properties.

This article focuses on the analysis of dynamics emerging in a Network of Hodgkin-Huxley Reaction-Diffusion equations. The network is forced with three external periodic stimulus input. A synchronization phenomenon is observed.

Predictions of mean values of statistical variables of large scale turbulent flow by the widely used basic k-ϵ model and a new fundamentally based model are verified against published results of Direct Numerical Simulations DNS of the Navier-Stokes equations. The verification concerns turbulent channel flow at shear Reynolds numbers of 950, 2000 and 104. The basic k-ϵ model is largely based on empirical formulations accompanied by calibration constants. This contrasts with the new model where descriptions of leading statistical quantities are based on the general principles of statistical turbulence at large Reynolds number. Predicted values of major output variables such as turbulent viscosity, diffusivity of passive admixture, temperature, and fluid velocities compare well with DNS in case of the new model. Significant differences are seen in case of the basic k-ϵ model.

Rotational jumps are crucial techniques in sports competitions. Estimating ground reaction forces (GRFs), one of the components constituting jumps, through a biomechanical model-based approach enables analysis even in environments where force plates or machine learning training data cannot be utilized. In this study, rotational jump movements involving twists on land were measured using inertial measurement units (IMUs) and estimated GRFs and body loads using a 3D forward dynamics model. Our estimation method, based on forward dynamics and optimization calculations, generated and optimized body movements using cost functions defined by motion measurements and internal body loads. To reduce the influence of the dynamic acceleration in the optimization calculation, the 3D orientation using sensor fusion composed of acceleration and angular velocity data obtained from IMUs and an extended Kalman filter was estimated. As a result, by generating movements based on the cost function, it was possible to calculate biomechanically valid GRFs while following the measured movements even if not all joints are covered by IMUs. This estimation method allows for 3D motion analysis independent of measurement conditions or training data.

Silybin is a natural compound extensively studied for its hepatoprotective, neuroprotective and anti-cancer properties. Envisioning the enhancement of silybin potential by suitable modifications in its chemical structure, here, a series of new 7-O alkyl silybins derivatives were synthesized by Mitsunobu reaction starting from the silybins and tyrosol-based phenols, such as tyrosol (TYR, 3), 3-methoxytyrosol (MTYR, 4) and 3-hydroxytyrosol (HTYR, 5). This research sought to explore the antioxidant and anticancer properties of new eighteen derivatives and their mechanisms. In particular, the antioxidant properties of new derivatives outlined by DPPH assay, showed a very pronounced activity depending on the tyrosyl moiety (HTYR>MTYR>>TYR). A significant contribution of the HTYR moiety was observed for silybins and 2,3-dehydro-silybin based derivatives. According to the very potent antioxidant activity, 2,3-dehydro-silybin derivatives 15ab, 15a and 15b exerted the most potent anticancer activity in human prostate cancer PC-3 cells. Furthermore, flow cytometric analysis for cell cycle and apoptosis revealed that 15ab, 15a and 15b induce strong G1 phase arrest and increase late apoptotic population in PC-3 cells. Additionally, western blotting for apoptotic marker cleaved caspase-3 confirmed apoptosis induction by these silybin derivatives in PC-3 cells. These findings hold significant importance in the investigation of anticancer properties of silybin derivatives and strongly encourage swift investigation in pre-clinical models and clinical trials.

To assess the impact of a deep learning (DL) denoising reconstruction algorithm applied to identical patient scans acquired with two different voxel dimensions, representing distinct spatial resolutions. This IRB approved prospective study was conducted at a tertiary pediatric center in compliance with the Health Insurance Portability and Accountability Act. We used a General Electric Signa Premier unit (GE Medical Systems, Milwaukee, WI) to acquire two DTI sequences of the left knee on each child at 3T: an in-plane 2.0 x 2.0 mm2 with section thickness of 3.0 mm and a 2 mm3 isovolumetric voxel, neither had an inter-section gap. We used a multi-band DTI acquisi-tion with fat-suppressed single-shot spin-echo echo-planar sequence (20 non-collinear directions; b-values of 0 and 600 sec/mm2). The MR vendor-provided a commercially available DL model applied with 75% noise reduction settings to same subject DTI sequences at different spatial res-olutions. We compared DTI tract metrics from both DL-reconstructed scans and non-denoised scans for femur and tibia, at each spatial resolution. Differences were evaluated using Wilcox-on-signed ranked test and Bland-Altman plots. When comparing DL versus non-denoised diffu-sion metrics in femur and tibia using the 2 mm x 2mm x 3 mm voxel dimension there were no significant differences between tract count (p = 0.1, p =0.14) tract volume (p = 0.14, p = 0.29), or tibial tract length (p=0.16); femur tract length exhibited a significant difference (p

Keywords: Amorphous-precipitate, Nitride, Morphological stability, Diffusion, Internal stresses, Modelling, Simulation

There is currently much interest in avoiding precious metals in Catalysis. The devel-opment of nickel catalysts to replace palladium in the Mizoroki-Heck reaction is a relevant case in this line of research since both elements share many chemical features. This contri-bution focuses on -Phenyl elimination in alkylnickel complexes. This is the microscopic reverse of olefin insertion (or carbometallation), a fundamental step of the Heck cycle that is usually considered irreversible and selectivity-determining. However, the potential reversibil-ity of carbometallation is generally concealed by the facile beta-hydrogen elimination that follows. Where -hydrogen elimination is hindered, beta-aryl elimination may ensue. We have previously shown that cationic 2-methyl-2-phenylpropyl (neophyl) palladium com-plexes supported by bidentate ligands experience -Ph elimination, which can be seen as an example of olefin de-insertion. In this contribution, we report that -phenyl elimination can also occur in their nickel analogs, in which case fast hydrolyses of the resulting phenyl product can follow the reaction. We investigated the mechanism of these processes and compared their feasibility for nickel and palladium catalysts using DFT calculations. These results are relevant information for the design of nickel-based catalysts for the Heck reac-tion.

Platinum and taxane chemotherapy is associated with the risk of hypersensitivity reactions (HSRs), which may require switching to less effective treatments. Desensitization to platinum and taxane HSRs can be used to complete chemotherapy according to the standard regimen. Therefore, we aimed to investigate the current management of HSRs to platinum and/or taxane chemotherapy in patients with gynecologic cancers. We conducted an online cross-sectional survey among gynecological and medical oncologists consisting of 33 questions. A total of 144 respondents completed the survey and 133 respondents were included in the final analysis. Most participants were gynecologic oncologists (43.6%) and medical oncologists (33.8%), and 77.4% (n=103) were involved in chemotherapy treatment. More than 73% of participants experienced >5 HSRs to platinum and taxane per year. Pre-medication and a new attempt with platinum or taxane chemotherapy were used in 84.8% and 92.5% of Grade 1-2 HSR to platinum and taxane, respectively. In contrast, desensitization was used in 49.4% and 41.8% of Grade 3-4 HSR to platinum and taxane, respectively. Most participants strongly emphasized the need to standardize the management of platinum and taxane HSR in gynecologic cancer. Our study showed that HSR in gynecologic cancer is common, but management is variable and the use of desensitization is low. In addition, the need for guidance on the management of platinum- and taxane-induced HSR in gynecologic cancer was highlighted.

This study aimed to evaluate the impact of Candida albicans on subgingival biofilm formation on dental implant surfaces. Scanning electron microscopy (SEM) and confocal laser scanning microscopy (CLSM) were used to compare biofilm structure and microbial biomass in the presence and absence of the fungus after periods of 24, 48, and 72 h. Quantitative polymerase chain reaction (qPCR) was used to quantify the number of viable and total micro-organisms for each of the biofilm-forming strains. A general linear model was applied to compare CLSM and qPCR results between control and test conditions. The biofilm developed with C. albicans at 72 h had a higher bacterial biomass, with a significantly higher cell viability (p < 0.05). After both 48 and 72 h of incubation, in the presence of C. albicans, there was a significant increase in counts of Fusobacterium nucleatum and Porphyromonas gingivalis and in the cell viability of Streptococcus oralis, Aggregatibacter actinomycetemcomitans, F. nucleatum, and P. gingivalis. Using a dynamic in vitro multispecies biofilm model, C. albicans exacerbated the development of the biofilm grown on dental implant surfaces, significantly increasing the number and cell viability of periodontal bacteria.

Polymer electrolyte was used as a medium for testing the performance of microband electrodes under conditions of linear diffusion. Cyclic voltammetry and chronoamperometry experiments were performed in such viscous medium, where diffusion rates are much slower than in fluid solutions. Confirmation of the existence of such conditions from the log i vs. log v or log i vs. log t relationships in the current equation always yielded values lower than the expected value of 0.5. This could indicate impure linear diffusion profile, i. e. some contribution from radial diffusion (edge effect). However, performing these tests in monomeric solvents of similar viscosities, such as glycerol or propylene glycol, gave the desired value of 0.5. These results lead to the conclusion that current equations which are based on Fick’s laws may not be applicable for polymer electrolytes, where various obstruction to diffusion make it a more complicated process than in monomeric solvents.

In order to study the feasibility of copper-nickel smelting slag（CNSS） and palygorskite for large-scale consumption and utilization in the field of mine filling, gellable composite materials were prepared from copper-nickel smelting slag ,cement and palygorskite. The effects of palygorskite addition and curing time on the mechanical properties and microstructure of copper-nickel smelting slag-based cementitious materials were studied in detail. The results showed that the addition of palygorskite had a positive effect on the curing of the cemented filler of the non-ferrous smelting slag by promoting the early hydration reaction. palygorskite also affected the mechanical properties of the cementitious materials with different maintenance times and the ability to cure heavy metals. The strength of gellable composite materials reaches 23.05MPa when 1% palygorskite, 50% of copper-nickel smelting slag and 48% cement were used, which meet the standards requirements of filling materials for mine goaf. The addition of 1% palygorskite can improve the ability of cementitious materials to solidify heavy metals to realize the economic utilization of solid waste in mining areas.

This study aimed to investigate the appearance and frequencies of the booroola polymorphism of the bone morphogenetic protein receptor 1b (BMPR1B) gene (FecB) and the embrapa polymorphism of the growth differentiation factor 9 (GDF9) gene (FecGE) in sheep in Thailand. A total of 454 cross-bred sheep blood samples were collected from four provinces in Thailand during August 2022 to July 2023. The polymerase chain reaction-restriction fragment length polymorphism (PCR-RFLP) method was used to identify the FecB and FecGE genotype. The history of ewe birth types was collected from the owners to analyze the association between Fecundity (Fec) genotypes and the history of birth types. The genotypic frequencies of FecB for homozygous genotype (B/B), heterozygous genotype (+/B) and wild-type (+/+) were 0.22%, 1.54%, and 98.24%, respectively. Meanwhile, the genotypic frequencies of FecGE for homozygous genotype (E/E), heterozygous genotype (+/E), and wildtype (+/+) were 0.00%, 2.42%, and 97.58%, respectively. Furthermore, three ewes exhibited both FecB and FecGE genotypes. Fisher’s exact test revealed that the possessor of FecB genotype was associated with multiple births (p<0.01). Both FecB and FecGE mutations were identified in crossbred sheep in Thailand. Sheep containing FecB allele is a better candidate to be selected to improve the prolificacy of crossbred sheep in Thailand.

Our objective was to investigate the effects of topically applied neuropeptide Y (NPY) on ischemic wounds. Initially, the animal model for ischemic wound healing was validated using 16 male Sprague-Dawley albino rats. In the intervention study, an additional 28 rats were divided into three groups: NPY (0.025%), the positive control insulin-like growth factor-I (IGF-I, 0.0025%), and the hydrogel carrier alone (control). The hydrogel was selected due to its capacity to prolong NPY release (p < 0.001), as demonstrated in a Franz diffusion cell. In the animals, an 8-mm full-thickness wound was made in a pedunculated dorsal ischemic skin flap. Wounds were then treated and assessed for 14 days, and procured at the end of the experiment for in situ hybridization analysis (RNAscope®) targeting NPY receptor Y2R and for meticulous histologic examination. Wound healing rates, i.e. the percentage wound area changes, did not show an increase with NPY (p = 0.938) but did with rhIGF-I (p = 0.039) compared to the control. Y2R mRNA was not detected in the wounds or adjacent skin but was identified in the rat brain (positive control). Light microscopic examination revealed trends of increased angiogenesis and enhanced inflammatory cell infiltration with NPY compared to control. An interesting secondary discovery was the presence of melanophages in the wounds. Our findings suggest the potential of NPY to enhance neovascularization under ischemic wound healing conditions, but further optimization of the carrier and dosage is necessary. The mechanism is elusive but likely involves NPY receptor subtypes other than Y2R.

Chaotic theory is commonly being researched for application in image encryption scheme (IES). In this paper, a novel two-dimensional cross hyperchaotic Sine-modulation-Logistic map (2D-CHSLM) based on the famous Sine and Logistic maps. The hyperchaotic behaviors of 2D-CHSLM is testified with the help of their bifurcation diagrams, trajectory plots, Lyapunov exponents, sample entropy, C0 complexity, permutation entropy and 0-1 test. A new bit-level IES with traditional encryption structure is proposed utilizing 2D-CHSLM. The 2D-CHSLM-IES performs a 2D-CHSLM-based bit-level confusion using zig-zag transform and a 2D-CHSLM-based cross coupled diffusion operations for generating a highly secure cipher-image. Then the simulations and security analyses are further carried out with the help of key space, key sensitivity, histogram, correlation, information entropy, differential attack, noise and data loss attacks, prove that the security of the proposed 2D-CHSLM-IES

The performance analysis of the internal/external flows around a high speed vehicle in near-space is fundamental and critical to the configuration and structure design for high speed aircraft. In this paper, the two-dimensional coupled implicit Reynolds Average Navier-Stokes (RANS) solver and RNG k–ε turbulence model is employed to numerically simulate the flow field of an integrated high speed vehicle. The flow field are divided three parts to solve separately and compared with that solved by integrated simulation. The flow field are decomposed to save computer storage and simulation time. The first part is inlet/isolator, the second part is combustion chamber and the third is nozzle. In the computation process, the outlet condition of isolator is endowed to the inlet boundary of combustion chamber and the outlet boundary of combustion chamber is endowed to the inlet boundary of nozzle, then the whole flow field of integrated high speed vehicle is solved. Aerodynamic characteristic of fragment-computation and integration-computation is comparatively analyzed at different angles of attack, the results show that the maximum deviation of lift coefficient obtained by fragment-computation is less than 3% compared with that by integration, the maximum deviation of drag coefficient fragment-computation is less than 5% compared with that by integration, while pitching moment coefficient deviation less than 12%. However, for simulation time-consumption, the time used by fragment-computation reduces 45% compared with integration-computation. Meanwhile, by components force analysis, it can be concluded that the aerodynamic property of inlet/isolator can been obtained separately and hardly effected by other parts.

This research hypothesised that the use of Virtual Reality (VR) applications can be used to train people in the ability to acquire targets faster, with greater accuracy when using motion controllers than compared with a traditional pointing device (mouse) on a 2D display. User performance was defined and measured using Reaction Time and Accuracy. The research findings suggests that the use of motion controllers in VR improved Reaction Time but not Accuracy when compared against the traditional pointing device and 2D display. This suggests that VR can be used specifically in training scenarios where Reaction Times are more important than Accuracy. It is recommended that further research is conducted using a wider range of hardware and software configurations with a stratified sample that takes into account age and gender to expand the collective understanding of factors that impact on VR aiming and target acquisition in VR.

A facile and environmentally benign method for a single-phase barium titanate synthesis in water vapor medium was studied to reveal the mechanism of phase transformation of the initial simple oxides mixture and estimate the capability of the product to be used as a raw material for low-frequency dielectric ceramics. The composition and structure of the reaction mixture treated in vapor at 130…150 °C as well as 230 °C for various time were investigated by means of XRD, SEM, HRTEM, EDX, and FTIR methods. The kinetics of the occurring phase transformation was described by Johnson-Mehl-Avrami-Erofeev equation. The reaction between the initial oxides was considered as a topochemical process with an apparent activation energy of 74…80 kJ mol^-1. A crucial role in this process belonged to the water vapor medium, which facilitated the generation of the reaction zone and its spreading inward the solid particles. The synthesized tetragonal barium titanate powder (mean particle size of 135 ± 24 nm) was sintered by a conventional technique at 1250 °C to obtain ceramics with grains of about 2 μm. Capacitance measurements performed a dielectric constant and loss tangent of ceramics, which reached 3879 and 6.7 10^-3, respectively, at 1 kHz and room temperature.

A enantioselective tandem transformation concerning asymmetric allylic decarboxylative addition and cyclization of N-nosylimines with vinylethylene carbonates (VECs) in the presence of [Rh(C2H4)2Cl]2, chiral sulfoxide-N-olefin tridentate ligand has been developed. The reaction of VECs with various substituted N-nosylimines proceeded smoothly under mild conditions, giving highly functionalized oxazolidine frameworks in good to high yields with good to excellent enantioselectivity.

This study aimed to compare procedural learning skills between Spanish-speaking preschool children (ages 4 years to 4 years, 11 months) with Developmental Language Disorder (DLD) and their typically developing (TD) peers. Using the Serial Reaction Time task, participants (30 DLD and 30 TD children) respond to visual stimuli in a sequenced manner over four blocks, followed by a random order block. The task assessed reaction time (RT) and accuracy. Results showed a significant interaction between group and block for reaction time (RT) and accuracy, with children with DLD exhibiting longer RTs and accuracy deficits across blocks. In contrast, the TD group showed higher RT efficiency and accuracy in the sequential blocks and as expected, decreased performance in the random block according to the experimental manipulation. Overall, the results of this investigation suggest that there was no implicit learning in the DLD group, as indicated by the SRT task paradigms of procedural memory. These findings align with the Procedural Deficit Hypothesis (PDH), suggesting that linguistic deficits in the TD population may derive from a general dysfunction of the procedural memory system domain in the Spanish context.

In CNS drug discovery, estimation of brain exposure of lead compounds is critical for their optimization. Compounds need to cross the blood-brain barrier (BBB) to reach the pharmacological targets in the CNS. The BBB is a complex system involving passive and active mechanisms of transport and efflux transporters such as P-glycoproteins (P-gp) and breast cancer resistance protein (BCRP), which play an essential role in CNS penetration of small molecules. Several in vivo, in vitro and in silico methods are available to estimate human brain penetration. Preclinical species are used as in vivo models to understand the unbound brain exposure by deriving the Kp,uu parameter, the brain/plasma ratio of exposure corrected with the plasma and brain free fraction. MDCK-mdr1 (Madin Darby canine kidney cells transfected with the MDR1 gene encoding for the human P-gp) assay is the most commonly used in vitro assay to estimate compound permeability and human efflux. The in silico methods to predict brain exposure, such as CNS MPO, CNS BBB scores and various Machine Learning models, help save costs and speed up compound discovery and optimization at all stages. These methods enable the screening of virtual compounds and building of a CNS penetrable compounds library as well as optimization of lead molecules for CNS penetration. Therefore, it is crucial to understand these methods' reliability and ability to predict CNS penetration. We review the in silico, in vitro and in vivo data and their correlation with each other and assess published in silico approaches to predict the BBB penetrability of compounds.

This study aimed to evaluate potential posttreatment changes in ADC values within the tissue surrounding the enhancing lesion, particularly in areas not exhibiting MRI characteristics of in-volvement. Additionally, the objective was to investigate the correlation between ADC values, treatment response, and survival outcomes in individuals diagnosed with gliomas. This retrospective study included a total of 49 patients that underwent either stereotactic biopsy or maximal surgical resection. Histologically confirmed as Grade III or IV gliomas, all cases adhered to the 2016 and 2021 WHO classifications, with subsequent radio-chemotherapy administered post-surgery. Patients were divided into two groups: short and long survival group. Baseline and follow-up MRI scans were obtained on a 1.5T MRI scanner. Two ROI circles were positioned near the enhancing area, one ROI in the NAWM ipsilateral to the neoplasm and another symmetrically in the contralateral hemisphere on ADC maps. At follow-up there was a significant difference in both ipsilateral and contralateral NAWM be-tween the two groups, -0.0857 (p=0.004) and -0.0607 (p=0.037), respectively. There was a weak negative correlation between survival and ADC values in ipsilateral and contralateral NAWM at the baseline with the correlation coefficient -0.328 (p=0.02) and -0.302 (p=0.04), respectively. The correlation was stronger at the follow-up. The findings indicate that ADC values in normal appearing white matter (NAWM) may function as a prognostic biomarker in patients with diffuse gliomas.

Background: the Investigator ESSplex SE QS Kit (Qiagen) is a next generation PCR kit that, in 60 minutes, amplifies 17 STRs markers, including the 5 European Standard Set (ESS) loci, the SE33 marker and the locus Amelogenin for sex determination. Two Quality Sensors (QS1 and QS2) are co-amplified to check PCR performance. Since forensic laboratories carry out annually hundreds of DNA typing, we verified the kit performance using half reaction volumes with the aim to improve the number of samples that may amplified with a kit, reducing consequently the laboratory costs. Methods: in the study, that is intended as a technical note and not an internal validation, were analyzed control samples (oral swabs) with known DNA profiles and 40 real caseworks samples. Results: we observed that reducing the total reaction volume, while keeping unaltered all components ratio’s, yields DNA profiles comparable to the ones obtained using standard reaction volumes and with alleles peaks higher than with standard volumes.. Conclusions: the use of half volumes for PCR amplification allows the analysis of a wider number of samples than the standard protocol, reducing laboratory costs while maintaining unaltered the quality level of the analysis.

Despite being small and simple structured in comparison to their victims, virus particles have the potential to harm severly and even kill highly developed species such as humans. To face upcoming virus pandemics, detailed quantitative biophysical understanding of intracellular virus replication mechanisms is inevitable. Unveiling the relationship of form and function might allow to determine putative attack points relevant for the systematic development of direct antiviral agents (DAA) and potent vaccines. Biophysical investigations of spatio-temporal dynamics of intracellular virus replication so far are rare. We are developing a framework to allow for fully spatio-temporal resolved virus replication dynamics simulations based on partial differential equations models (PDE) and evaluated with advanced numerical mathematical methods on leading supercomputers. This study presents an advanced highly nonlinear model of the genome replication cycle of a specific RNA virus, the Hepatitis C virus (HCV). The diffusion-reaction model mimics the interplay of the major components of the viral RNA (vRNA) cycle, namely non structural viral proteins (NSP), vRNA and a generic host factor. Technically, we couple surface PDEs (sufPDEs) on the 3D embedded 2D Endoplasmatic Reticulum (ER) manifold with PDEs in the 3D membranous web (MW) and cytosol volume. (The MWs are the replication factories growing on the ER induced by NSPs.) The sufPDE/PDE model is evaluated at realistic reconstructed cell geometries which are based on experimental data. The simulations couple the effects of NSPs which are restricted to the ER surface with effects appearing in the volume. The volume effects include the host factor supply from the cytosol and the MW dynamics. Special emphasis is put to the exchange of components between ER surface, MWs and cytosol volume. As the vRNA spatial properties are not fully understood so far in experiment, the model allows for vRNA both restricted to the ER and moving in the cytosol. The visualization of the simulation resembles a look into some sort of fully 3D resolved “in silico microscopes” to mirror and complement in vitro / in vivo experiments for the intracellular vRNA cycle dynamics. The output data are quantitatively consistent with experimental data and provoke advanced experimental studies to validate the model.

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.

Global warming and the global energy crisis are two major challenges humanity is currently confronting that are pressuring the scientific community to find efficient, low cost and environmentally sustainable solutions. Within this context, hydrogen has emerged as a clean and efficient energy carrier promising to replace the environmentally hazardous fossil fuels. The present study, of relevance to the water splitting domain, concerns the synthesis of two novel hybrid structures, based on perovskite materials functionalized with polyvinylpyrrolidone (PVP). The water electrolysis catalytic activity of these new materials was evaluated in a strongly alkaline medium. Perovskite-based modified electrodes were manufactured through four different procedures. The samples displayed electrocatalytic activity for the O2 evolution reaction and the most active electrode was the one obtained by drop-casting a mixture of LaMnO3:Ag/PVP, Carbon Black and Nafion on graphite support. The study is aimed at and succeeds in increasing the scientific database concerning the role of perovskite oxides in the water splitting field.

Electrolysis stands as a pivotal method for environmentally sustainable hydrogen production. However, the formation of gas bubbles during the electrolysis process poses significant challenges by impeding the electrochemical reactions, diminishing cell efficiency, and dramatically increasing energy consumption. Furthermore, the inherent difficulty in detecting these bubbles arises from the non-transparency of the wall of electrolysis cells. Additionally, these gas bubbles induce alterations in the conductivity of the electrolyte, leading to corresponding fluctuations in the magnetic flux density outside of the electrolysis cell, which can be measured by externally placed magnetic sensors. By solving the inverse problem of the Biot-Savart Law, we can estimate the conductivity distribution as well as the void fraction within the cell. In this work, we study different approaches to solve the inverse problem including Invertible Neural Networks (INNs) and Tikhonov regularization. Our experiments demonstrate that INNs are much more robust to solving the inverse problem than Tikhonov regularization when the level of noise in the magnetic flux density measurements is not known or changes over space and time.

Auger-emitting radionuclides exemplified by Pd-103, exhibit considerable therapeutic potential in cancer treatment due to their heightened cytotoxicity and localized biological impact. Despite these advantages, the separation of such radionuclides presents a complicated challenge, requiring intricate and time-intensive "wet chemistry" methods attributed to the exceptional chemical inertness of the associated metals. This study proposes an innovative solution to this separation challenge through the design and implementation of a radionuclide separation equipment (RSE). The equipment employs a dry distillation approach, capitalizing on differences in partial vapor pressures between irradiated and resulting radioactive metals, with a diffusion-driven extraction method applied to separate Pd-103 radionuclides generated via proton irradiation of Rh-103 at the ATOMKI MGC-20 cyclotron. Optimization endeavors focused on determining the optimal temperature for effective metal separation, adjusting diffusion, evaporation, and deposition rates, as well as addressing chemical impurities. Calculations indicate 17 % ± 2 % separation efficiency with our RSE. Approximately 77% ± 2% and 49% ± 2% of the deposited Pd-103 were isolated on substrates of Nb foil and ZnO-covered W disk, respectively. The proposed innovative dry distillation method that has been experimentally tested, offers a promising alternative to conventional separation techniques, enabling enhanced purity and cost-efficient cancer treatment strategies.

The role of initial state (ISI) and final state (FSI) ion–ion interactions in heavy ion double charge exchange (DCE) reactions A(Z,N)→A(Z±2,N∓2) are studied in the context of double single charge exchange (DSCE) reactions given by sequential actions of the isovector nucleon–nucleon (NN) T–matrix. The second order DSCE reaction amplitude is investigated in momentum representation in a formulation, focused on the extraction of nuclear matrix elements under the conditions of strong initial state (ISI) and final state (FSI) interactions. In closure approximation and using the momentum representation, the reaction amplitude is finally separated into ISI/FSI distortion coefficients and reaction kernels and nuclear matrix elements. The ISI/FSI reaction kernels emerge as the result of the repeated scattering on the avoided volume, introduced by the imaginary parts of the ion–ion optical potential and acting as sinks for the quantal probability current. The closure approximation allows derive a set of induced effective two–body isotensor interactions, given by products of spin–scalar, spin–vector central and rank–2 spin–tensor interactions. The intermediate propagator plays a key role in establishing correlation between the DCE transitions in the projectile and target nucleus. The presented approach emphasizes the special features of DSCE reaction dynamics as proceeding like a system of two coupled isospin dipoles whose strengths are determined by the momentum-space form factors of the NN isovector interaction. The properties of the DSCE interaction form factors are investigated and the approach is applied to data.

Synthesis of natural products with complicated architecture often requires segments having the functional groups that can be structurally transformed with the desired stereogenic centers. Bicyclic ?-lactones have a great potential for a suitable segment for natural product synthesis. However, the stereoselective construction of such functionalized bicyclic ?-lactones is not as straightforward as one might expect. On the other hand, the Lewis acid template-mediated Diels-Alder reaction is one of the most powerful and versatile methods for providing bicyclic ?-lactones with high regioselectivity and stereoselectivity. In this reaction, the Lewis acid template activates the dienophile as well as linking the diene and dienophile by a temporary tether. Therefore, Diels-Alder reaction smoothly proceeds in a stereocontrolled manner, allowing a simple access to bicyclic ?-lactone as a valuable building block for the synthesis of complicated natural products. In this review, some highlights of the Lewis acid-mediated Diels-Alder reaction, along with its application to the synthesis of biologically active compounds are discussed.

Exploring effective oxygen reduction reaction (ORR) electrocatalysts is crucial for progress in solid-state alkaline zinc-air batteries (ZAB). In this paper, silver-manganese dioxide-carbon nanotubes (SMC) ternary composites, which function as Electrocatalyst for air Electrodes, was produced via the pyrolysis of silver permanganate under microwave irradiation in one step. A scanning electron microscope (SEM), X-ray diffraction (XRD), and an energy dispersion spectrometer (EDS) have consistently determined that SMC consists of silver and alpha-manganese dioxide, which anchored on the surface of CNTs. Through polarization and chronoamperometery curves, the electrocatalytic activity of SMC for ORR was examined. The results reveal that SMC has higher catalytic activity than the chemically produced electrocatalyst for ORR in alkaline condition. Finally, a solid-state zinc-air cell with an electrocatalyst was constructed and tested. Constant current discharge curve of the zinc-air cell with SMC has a long discharge voltage plateau and a 60.03 mAh capacity at 30 mA · cm−2 . The mechanism of improvement in electrocatalytic activity was also discussed. In a summary, the strategy described in this study and the electrocatalyst produced can be regarded as an effective method for making a robust oxygen reduction catalyst toward solid-state zinc-air batteries.

Metal-organic frameworks (MOFs) represent the largest class of materials among the crystalline porous materials ever developed and have attracted attention as core materials for separation technology. Their extremely uniform pore aperture and nearly unlimited structural and chemical characteristics have attracted great interest and promise in applying MOFs to adsorptive and membrane–based separations. This paper reviews the recent research and development of MOF membranes for gas separation. Strategies for polycrystalline membranes and mixed matrix membranes are discussed, with a focus on separation systems involving hydrocarbon separation and CO2 capture. Challenges and opportunities for the industrial deployment of MOF membranes are also be discussed, providing guidance for the design and fabrication of future high-performance membranes. The contributions of the underlying mechanism to separation performances, and the adopted strategies and membrane processing technologies for breaking the selectivity/permeability trade–off are discussed.

Innovations in drug delivery systems are crucial for enhancing therapeutic efficiency. Our research presents a novel approach based on Electro-fluid dynamic atomization (EFDA) to fabricate core-shell monophasic particles (CSMp) from sodium alginate blends of varying molecular weights. This study explores the morphological characteristics of these particles in relation to material properties and process conditions, highlighting their potential in drug delivery applications. A key aspect of our work is the development of a mathematical model that simulates the release kinetics of small molecules, specifically sodium diclofenac. By assessing the diffusion properties of different molecules and gel formulations through transport and rheological models, we have created a predictive tool for evaluating the efficiency of these particles in drug delivery. Our findings underscore two critical independent parameters for optimizing drug release: the external shell thickness and the diffusivity ratios within the dual layers. This allows for precise control over the timing and intensity of the release profile. The study advances our understanding of EFDA in the fabrication of CSMp and offers promising avenues for enhancing drug delivery systems by tailoring release profiles through particle characteristic manipulation.

The three-component reaction of enaminones, benzaldehyde and hydrazine-HCl or four-component reaction of enaminones, benzaldehyde, hydrazine–HCl and ethyl cyanoacetate in water in the presence of catalytic amount of ammonium acetate has been devised as a straightforward , sustainable approach for the synthesis of 1-H-pyrazole, N-aminopyridine and pyrazol[3,4-b]pyridine derivatives . The key benefits of this approach is simple experimental procedure associated with cost effective and environmentally friendly techniques.

The surface configurations of the low-index facets of a set of spinel oxides are investigated using DFT+U calculations to derive surface energies and predict equilibrium nanoparticle shapes via the Wulff construction. Two very different conditions are investigated, corresponding to application either in heterogeneous catalysis or in electrocatalysis. First, the bare stoichiometric surfaces of NiFe₂O₄, CoFe₂O₄, NiCo₂O₄, ZnCo₂O₄ spinels are studied to model their use as high-temperature oxidation catalysts. Second, focusing attention on the electrochemical oxygen evolution reaction (OER), and on the CoFe₂O₄ inverse spinel as the most promising OER catalyst, we generate surface configurations by adsorbing OER intermediates, and, in an innovative study, we recalculate surface energies taking into account adsorption and environmental conditions, i.e., applied electrode potential and O₂ pressure. We predict that, under OER operating conditions, (111) facets are dominant in CoFe₂O₄ nanoparticle shapes, in fair agreement with microscopy measurements. Importantly, in the OER case we predict a strong dependence of nanoparticle shape upon O₂ pressure. Increasing O₂ pressure increases the size of the higher-index (111) and (110) facets at the expense of the (001) more catalytically active facet, whereas the opposite occurs at low O₂ pressure. These predictions should be experimentally verifiable and help define the optimal OER operative conditions.

In this study, the pristine MgO, MgO/CNT and Ni-MgO/CNT nanocomposites were processed by the impregnation and chemical vapour deposition methods and analyzed for hydrogen evolution (HER) via electrochemical water splitting process. Furthermore, effect of nickel on the deposited carbon was systematically elaborated in this study. The highly conductive carbon nanotubes (CNTs) deposited on the metal surface of the Ni-MgO nanocomposite heterostructure provides the robust stability and superior electrocatalytic activity. The optimized Ni-MgO/CNT nanocomposite exhibited hierarchical helical-shaped carbon nanotubes adorned on the surface of the Ni-MgO flakes, forming a hybrid metal-carbon network structure. The HER catalytic reaction was carried out in 1M alkaline KOH electrolyte, and the optimized Ni-MgO/CNT nanocomposite achieves the low 117 mV overpotential value (ɳ) at the 10 mA cm-2 and needs low 116 mV/dec Tafel value denoted Volmer-Heyrovsky pathway. Also, high electrochemical active surface area (ECSA) value of Ni-MgO/CNT nanocomposite acquires 515 cm2, which is favorable for the generation of abundant electro-active species and the prepared electrocatalyst durability was also performed by chronoamperometry test for prolonged duration of 20 h at 10 mA cm-2 and exhibits the good stability with 72% retention. Hence, obtained results demonstrated that the optimized Ni-MgO/CNT nanocomposite is highly active and cost-effective electrocatalyst towards hydrogen energy production.

Person Re-identification is the task of recognizing comparable subjects across a network of nonoverlapping cameras. This is typically achieved by extracting from the source image a vector of characteristic features of the specific person captured by the camera. Learning a good set of robust, invariant and discriminative features is a complex task, often leveraging contrastive learning. In this article, we explore a different approach, learning the representation of an individual as the conditioning information required to generate images of the specific person starting from random noise. In this way we decouple the identity of the individual from any other information relative to a specific instance (pose, background, etc.), allowing interesting transformations from one identity to another. As generative models, we use the recent diffusion models that have already proven their sensibility to conditioning in many different contexts. The results presented in this article serve as a proof-of-concept. While our current performance on common benchmarks is lower than state-of-the-art techniques, the approach is intriguing and rich of innovative insights, suggesting a wide range of potential improvements along various lines of investigation.

To date, radiation adaptation response has been reported as a low-dose related phenomenon and has been associated with radiation hormesis. Well-known cancers are caused by non-radiation active reactants, in addition to radiation. A model of suppression for radiation-specific cancers was previously reported, but the model did not target radiation-nonspecific cancers. In this paper, we describe kinetic models of radiation-induced suppressors for general radiation non-specific cancers, estimating the dose that induces the maximum hormesis effect while satisfying the condition that the risk is approximately proportional to dose above 100 mSv. It was found that the radiation hormesis effect is maximal at about 20 mSv when the rate constant for generation is the same as the rate constant for decomposition. When the two rate constants are different, the dose at which the radiation hormesis effect is maximized depends on both rate constants, but the dose increases as the two rate constants approach each other, reaching a maximum of about 20 mSv. This conclusion may lead to the discovery of unknown cancer suppressors at low doses and the development of cancer suppression methods in the future.

Sphingosine 1-phosphate (S1P) is a signaling lipid molecule involved in various cellular processes. It is important to develop a quantitative method for S1P to determine endogenous levels and to investigate its functions. Especially since S1P is a tiny lipid component of most biological samples, highly sensitive analysis by LC-MS/MS is required. The main challenge in S1P analysis by chromatography is peak broadening due to the presence of a polar phosphate and zwitterion formation in S1P. In this study, we used hydrogen fluoride (HF) to efficiently remove a phosphate and then analyzed the surrogate, sphingosine, as a sharp peak by LC-ESI-MS/MS. We optimized the dephosphorylation reaction in terms of reaction time, temperature, and HF concentration. Multiple reaction monitoring (MRM) for dephosphorylated form of S1P and C17-S1P as internal standard at m/z transition 300.4>282.4 (quantification ion), 300.4>262.4 (qualification ion), 286.3>268.2 (internal standard). This method was validated by essential parameters such as specificity, linearity, range, LOQ, LOD, accuracy, precision, and repeatability. To confirm this new method, we quantified S1P levels in various serum products (100.02 ~ 284.38 nM). To apply the method in vivo, we analyzed S1P in plasma and kidney tissues obtained from a chronic kidney disease (CKD) mouse model. S1P levels were increased only in CKD kidney tissue but not in plasma. In conclusion, by applying the dephosphorylation step with HF, we established a new sensitive LC-MS/MS quantitative method for S1P that can be applied to biological samples.

Aqueous Zinc ion batteries (ZIBs) possess significant potential in large energy storage systems due to their cost-effectiveness and environmental protection. However, the limited voltage window and poor reaction kinetics of the cathode material are still bottlenecks, restricting the further development of ZIBs. In this work, we rationally design Ni-doped V2O5@3D Ni core/shell composite on carbon cloth electrode (Ni-V2O5@3D Ni@CC) by growing Ni-V2O5 on the free-standing 3D Ni metal nanonets for high-voltage and high-capacity ZIBs. Impressively, the embedded Ni doping increases the interlayer spacing of V2O5, extending the working voltage and improving the Zn2+ kinetics reaction of the cathode materials, at the same time the 3D structure with high specific surface area and superior electronic conductivity benefits to fast Zn2+ transport. Consequently, the as-designed Ni-V2O5@3D Ni@CC cathodes can operate within a wide voltage window from 0.3 to 1.8 V vs. Zn/Zn2+ and deliver a high capacity of 270 mAh g-1 at a high current density of 0.8 A g-1. In addition, the reversible Zn2+ (de)-incorporation reaction mechanisms in the Ni-V2O5@3D Ni@CC cathodes are investigated by multiple characterization methods. As a result, we achieve a big step toward the practical applications of commercial ZIBs.

People are drawn to woodcut-style designs due to their striking visual impact and strong contrast. However, traditional woodcut prints and previous computer-aided methods have not addressed the issues of dwindling design inspiration, lengthy production times, and complex adjustment procedures. We propose a novel network framework, the Woodcut-style Design Assistant Network (WDANet), to tackle these challenges. Notably, our research is the first to utilize diffusion models to streamline the woodcut-style design process. We've curated the Woodcut-62 dataset, featuring works from 62 renowned historical artists, to train WDANet in absorbing and learning the aesthetic nuances of woodcut prints, offering users a wealth of design references. Based on a noise reduction network, our dual cross-attention mechanism effectively integrates text and woodcut-style image features. This allows users to input or slightly modify a text description to quickly generate accurate, high-quality woodcut-style designs, saving time and offering flexibility. As confirmed by user studies, quantitative and qualitative analyses show that WDANet outperforms the current state-of-the-art in generating woodcut-style images and proves its value as a design aid.

By planting LEDs on the surfaces of orifice baffles, a novel batch oscillatory baffled photoreactor (OBPR) together with polymer-supported Rose Bengal (Ps-RB) beads are used to investigate reaction kinetics of a photo-oxidation reaction between α-terpinene and singlet oxygen (1O2). In the widely used NMR data analysis for this reaction, α-terpinene and ascaridole are treated as a reaction pair, assuming kinetically singlet oxygen is in excess or constant. We have, for the first time, examined the validity of the method, discovered that increasing α-terpinene initially leads to an increase of ascaridole, indicating that the supply of singlet oxygen is in excess. Applying kinetic analysis, a pseudo first order reaction kinetics is confirmed, supporting this assumption. We have subsequently initiated a methodology of estimating the 1O2 concentrations based on the proportionality of ascaridole concentrations with respect to its maximum under these conditions. With the help of the estimated singlet oxygen data, the efficiency of 1O2 utilization and the photo efficiency of converting molecular oxygen to 1O2 are further proposed and evaluated. We have also identified conditions where further increase of α-terpinene has caused decreases in ascaridole, implying kinetically that 1O2 has now become a limiting reagent, the method of treating α-terpinene and ascaridole as a reaction pair in the data analysis would no longer be valid under those conditions.

In our latest studies with the help of the self-similar Ansatz we derived new type of 1 solutions for the regular diffusion equation which are much more complex than the well-known 2 Gaussian and error functions. These solutions contain additional Kummer’s M and Kummer’s U 3 functions with quadratic argument. In the present treaties we perform an analogous analysis for the 4 regular diffusion equation which has a complex diffusion coefficient. Formally, it is equivalent to 5 the free Schrödinger equation however it is far from being trivial how the solutions can be given 6 quantum mechanical interpretation. We investigate both the one dimensional Cartesian and the 7 spherical symmetric equations. We find solutions which fulfill the L2 integrability criteria therefore 8 might have quantum mechanical relevance in the future.

The presence of phase diffusion can lead to the loss of the advantages of quantum measurements. Squeezing is considered to be an effective method to reduce the detrimental effect of phase diffusion on the measurement. The Mach-Zehnder (MZ) interferometer has been exploited as a generic tool for precise phase measurement. Describing the reduction in quantum advantage caused by phase diffusion in an MZ interferometer that can be mitigated by squeezing is not easy to handle analytically, because the input state will change from a pure state to a mixed state after experiencing the diffusion noise in the MZ interferometer. We introduce a truncated MZ interferometer that can achieve the same potential phase sensitivity as the conventional MZ interferometer. This scheme can theoretically explain how phase diffusion reduces phase estimation and why squeezing counteracts in the presence of phase diffusion. Using the Gaussian property of the input state and the characteristic of Gaussian operation in the squeezing, the two orthogonal field quantities of the quantum state are squeezed and anti-squeezed to different degrees, and the analytic results are obtained. The truncated MZ interferometer is simpler to build and operate than the conventional MZ interferometer, and also mitigates the phase diffusion noise by the squeezing operation, thus making it useful for applications in precision metrology.

A single type I RC (Fe-S type, ferredoxin reducing) is found in several of the phyla of anoxygenic phototrophic bacteria. They include the heliobacteria (HB), the green sulfur bacteria (GSB) and the chloroacidobacteria (CAB), for which high-resolution homodimeric RC-PS structures have recently appeared [1-4]. The 2.2-Å Xray structure of the RC-PS of Heliomicrobium modesticaldum [1] revealed that the core PshA apoprotein (PshA1 and PshA2 homodimeric pair) exhibits a structurally conserved PSI arrangement comprised of five C-terminal transmembrane helices (TMHs) forming the RC domain and six N-terminal TMHs coordinating the light-harvesting (LH) pigments. The Hm. modesticaldum structure lacked quinones, indicating that electrons were transferred directly from the A0 (81-OH-chlorophyl (Chl) a) primary acceptor to the FX [4Fe4S] component, serving as the terminal RC acceptor. A pair of additional TMHs designated as Psh X were found, that function as a low-energy antennae. The 2.5Å resolution cryo-electron microscopy (cryo-EM) structure for the RC-PS of the GSB Chlorobaculum tepidum [2] included two Fenna-Matthews-Olson protein (FMO) antennae, which transfer excitations from the chlorosomes to the RC-PS (PscA1 and PscA2) core. Two cytochromes c (PscC) molecules were revealed, which act in series as electron donors to the photooxidized RC BChl a’ special pair, as well as PscB, housing the [4Fe-4S] cluster FA and FB, and the associated PscD protein [3]. Although their FMO components were missing from the 2.6-Å cyro-EM structure of the Zn-BChl a’ special pair containing RC-PS of Chloroacidobacterium thermophilum [4], a unique architecture was revealed that consisted of seven additional subunits including PscZ in place of PscD, the PscX and PscY cytochrome c serial electron donors and four low mol. wt. subunits of unknown function. Overall, these diverse structures have revealed that: (i) the HB RC-PS is the simplest light-energy transducing complex yet isolated, and represents the closest known homolog to a common homodimeric RC-PS ancestor; (ii) the symmetrically localized Ca2+binding sites found in each of the Type I homodimeric RC-PSs likely gave rise to the analogously positioned Mn4CaO5 cluster of the PSII RC and the TyrZ RC donor site; (iii) a close relationship between the GSB RC-PS and Chl protein (CP)43 and CP47 of PSII was demonstrated by the strongly conserved locations of their LH-(B)Chls; (iv) LH-BChls of the GSB-RC-PS are also localized in the conserved RC-associated positions of the PSII ChlZ-D1 and ChlZ-D2 sites; (v) glycosylated carotenoids of the GSB RC-PS are located in the homologous carotenoid-containing positions of PSII, reflecting an O2-tolerance mechanism capable of sustaining early stages in the evolution of oxygenic photosynthesis. In addition to the close relationships found between the homodimeric RC-PS and PSII, duplication of the gene encoding the ancestral Type I RC apoprotein, followed by genetic divergence my well account for the appearance of the heterodimeric Type I and Type II RC found in extant oxygenic phototrophs. Accordingly, the long-held view that PSII arose from the anoxygenic Type II RC is now supplanted by the new evidence provided by Type I RC-PS homodimer structures, indicating that the evolutionary origins of anoxygenic Type II RCs along with their distinct antenna rings are likely to have occured later than the events which gave rise to their oxygenic counterparts.

Mixtures of ethanol and methanol being synthesized from CO2 and green H2 can serve as sustainable base chemicals for a number of chemical processes. Amongst these processes, the catalytically-supported synthesis of CO2-neutral C4 to C10 alcohols is of increasing importance as, e.g., iso-butanol can be used as a drop-in fuel or after dehydration to produce iso-butene as a feedstock for the synthesis of plastics. 2-ethyl-hexanol can be further refined into solvents, tensides, or monomers. In this respect, NiPt alloys on an activated carbon support were found to be active and stable catalysts for the synthesis of iso-butanol following the Guerbet reaction scheme. In this study, two different routes are applied to the synthesis of these NiPt catalysts: a more conventional one based on the impregnation of Ni and Pt salts and an advanced path with a surface redox reaction between elemental Ni on the support and Pt ions in a polar solution. The experimental evaluation showed that the Pt particles from the surface redox reaction being exposed on the Ni particles are more active than those on the impregnated catalysts due to their high surface energy. Their specific space-time yields were 10–20 times higher.

New [1,2]dithiolo[3,4-b]pyridine-5-carboxamides were synthesized through the reaction of dithiomalondianilide (N,N'-diphenyldithiomalondiamide) with 3-aryl-2-cyanoacrylamides or by a three-component reaction involving aromatic aldehydes, cyanoacetamide and dithiomalon- dianilide in the presence of morpholine. The structure of 6-amino-4-(2,4-dichlorophenyl)- 7-phenyl-3-(phenylimino)-4,7-dihydro-3H-[1,2]dithiolo[3,4-b]pyridine-5-carboxamide was con-firmed using X-ray crystallography. To understand the reaction mechanism in detail, density functional theory (DFT) calculations were performed with a Grimme B97-3c composite computa-tional scheme. The results revealed that the rate limiting step is a cyclization process leading to the closure of 1,4-dihydropyridine ring with an activation barrier of 28.8 kcal/mol. Some of dithiolo[3,4-b]pyridines exhibited moderate herbicide safening effects against 2,4-D . Additional-ly, ADMET parameters were calculated and molecular docking studies were performed to identify potential protein targets.

Dimers and oligomers of alkenes represent a category of compounds that are in great demand for diverse industrial sectors. Among the developing synthetic methods, the catalysis of alkene dimerization and oligomerization using transition metal salts and complexes is of undoubted interest for practical application. This approach demonstrates substantial potential, offering not only elevated reaction rates but also precise control over the chemo-, regio-, and stereoselectivity of the reactions. In this review, we discuss the data on catalytic systems for alkene dimerization and oligomerization. Our focus lies in the analysis of how the activity and chemoselectivity of these catalytic systems are influenced by various factors, such as the nature of the transition metal, the ligand environment, the activator, and substrate structure. Notably, the review particularly discusses the reaction mechanisms, encompassing metal complex activation, structural and dynamic features, and the reactivity of hydride intermediates, which serve as potential catalytically active centers in alkene dimerization and oligomerization.

As part of a comprehensive research on eco-friendly processing techniques, the influence of heat treatment environment on the case-hardening of AISI 1018 steel using pulverized cassava leaf was studied. The process was carried out at two different temperatures (850˚C and 950˚C) and under three environmental conditions: (Process 1) the control experiment, was carried out in air only, (Process 2) the medium comprised of pulverized cassava leaves, and (Process 3) the combination of pulverized cassava leaves plus barium carbonate (BaCO3) as an energizer (CBC mixture). Vickers microhardness testing and scanning electron microscopy were used to evaluate the effect of processing environment on case hardening of the steel. As expected, regardless of the processing temperature, Process 1 resulted in little or no hardening of the steel surface. However, notable case hardening occurred when steel specimens were subjected to either Process 2 or Process 3. Furthermore, the inclusion of barium carbonate in Process 3 significantly enhanced the case hardening effectiveness of the cassava leaf as it pertains to rate and maximum hardness achieved. Maximum enhancement was observed at 950oC. After 1 hour, the increase in hardness were 160% and 280%, for Process 2 and Process 3, respectively. Upon increasing the processing time to 5 hours, the increase in hardness due to Process 2 was raised to 254%, while that of Process 3 remained at approximately 280%. Diffusivity of AISI 1018 was calculated using the microhardness data. Diffusivity was highest in Process 2 samples with values of 1.568 x 10-9 m2/s at 850°C and 1.893 x 10-9 m2/s at 950 °C.

The lack of accurate and feasible diagnostic tests poses a significant challenge to visceral leish-maniasis (VL) healthcare services in endemic areas. To date, various VL diagnostic tests have been or are being developed, and their diagnostic performance needs to be assessed.. In the present study, the diagnostic performance of rk39RDT, Direct Agglutination Test (DAT), Microscopy, Loop Mediated Isothermal Amplification (LAMP), and miniature direct-on-blood polymerase chain reaction - nucleic acid lateral flow immunoassay (mini-dbPCR-NALFIA) was assessed using quantitative polymerase chain reaction (qPCR) as reference test in an endemic region of Ethiopia. In this study, 235 patients VL suspected patients and 104 non-endemic healthy controls (NEHC) were recruited. Among the VL-suspected patients, 144(61.28%) tested positive with qPCR. Sensi-tivities for rk39 RDT, DAT, Microscopy, LAMP assay, and mini-dbPCR-NALFIA were 88.11%, 96.50%, 76.58%, 94.33%, and 95.80%, respectively. Specificities were 83.33%, 97.96%, 100%, 97.38%, and 98.92% for rk39 RDT, DAT, Microscopy, LAMP assay, and mini-dbPCR-NALFIA, respectively. In conclusion, Rk39 RDT and microscopy exhibited lower sensitivity, while DAT demonstrated excellent performance. LAMP and mini-dbPCR-NALFIA showed excellent perfor-mance with feasibility to implement in remote endemic areas, although the latter requires further evaluation in such regions.

Malaria is rare in Europe, but it is a medical emergency and programs for its control should ensure access to early diagnosis and prompt treatment within 24-48 h of the symptom’s onset. The consistent number of imported malaria cases and the risk of reappearance of autochthonous cases stimulated laboratories in non-endemic countries to evaluate diagnostic methods/algorithms: microscopy remains the gold standard, but with limitations. RDTs have greatly expanded the ability to diagnose malaria for rapid results due to simplicity and low cost, but they lack sensitivity and specificity. PCR-based assays provide more relevant information but need well-trained technicians. According to WHO global Technical Strategy for Malaria 2016-2030, the future direction for a rapid diagnosis is the development of Point-Of-Care Testing, which would be helpful for prompt/accurate treatment and for preventing the diseases spread. Despite the limitations of current diagnostic methods, they play important roles in dealing with the global malaria situation, including decreasing its incidence. Recently evidence suggested that Artificial Intelligence could be utilized for assisting pathologists in malaria diagnosis. Future studies need to be conducted to see whether this system can be used for routine malaria diagnostic procedures.

: Oscillation synchronization through diffusion-based communication of active materials can lead to emergence of diverse patterns and collective behaviors. A detailed general description of the formation process of synchronization or resynchronization dynamics is a challenging task. We employ a photosensitive Belousov-Zhabotinsky reaction-diffusion model (within a gel media) to investigate the recovery process of oscillation synchronization between a pair of gel patches. The recovery time for oscillation resynchronization can be modulated by patch-distance, species of signaling molecules, intensity and duration of illumination. Analysis reveals that the “switch effect” of the gel-distance and the “promotion effect” from illumination on the oscillation resynchronization originate from the competition between processes of photo-promotion of oscillation, diffusion of signaling molecules (HBrO2 and Br-) and disproportionation of HBrO2. These results will benefit studies on bio-inspired active materials and soft motors.

In this paper, we investigate a financial market in which asset prices evolve based on a multi-dimensional Brownian motion process and a multi-dimensional Poisson process with different credit and deposit rates We proceed to evaluate European options by establishing upper and lower hedging prices through a transition to a suitable auxiliary market. Additionally, we address the minimization of shortfall risk and no-arbitrage price bounds in incomplete markets within this framework.

The paper covers the development of formulations and technology for low energy building materials based on the alkaline alumino-silicate binder and appropriate for special purposes. The microstructure of the binder was investigated using scanning electron microscopy and atomic force microscopy. The identification of the phase compositions was done by means of X-ray diffraction. By leach rate measurement and chemical analysis of pore liquid, the linkage of the alkali metal ions in water-insoluble composites was researched. The dependence of structure formation on mix design and curing conditions was investigated. Specific examples of manufacture and application of binder-based glues and adhesives have been considered, incl. ones for low-temperature insulating composite materials, heat insulation perlite-based materials, heat insulation of industrial boilers, and the fire resistant heat insulating system. The advantages of the binder-based temperature insulating composites compared to traditionally used ones are shown.

A new method for the synthesis of azido-propargyloxy derivatives of 1,3,5-triazine has been developed. The antibacterial activity against E. coli bacteria of propargyloxy substituted 1,3,5-triazines - 2,4,6-trispropargyloxy-1,3,5-triazine, 2-azido-4,6-bispropargyloxy-1,3,5-triazine and 2,4-diazido-6-propargyloxy-1,3,5-triazine and their hyperbranched polymers. It has been shown that the presence of an azide group in the compound directly affects the antibacterial activity. The cytotoxicity of these compounds against the M-HeLa, FetMSC and Vero cell lines was studied. The IC50 value was determined for low molecular weight compounds. It has been shown that hyperbranched polymers without azide groups don’t exhibit pronounced cytotoxicity and can be used in biomedical applications.

Sr4Al6O12SO4 samples were obtained from the compound mixture formed by a solid–state reaction of Al2O3, SrSO4, and SrCO3. Samples were compacted at 100MPa to form pellets of 1 and 4cm in diameter and were sintered at 1400°C for 4 hours. The compound was analyzed by X–ray diffraction. Static immersion and wettability tests were performed to evaluate corrosion resistance in contact with Al–Si. Corrosion tests were carried out by immersion at 800, 900, and 1000°C for 24, 50, and 100 hours, while wettability was carried out at 900, 1000, and 1100°C for 2 hours. Subsequently, the samples were prepared metallographically. Samples were analyzed by optical microscopy, scanning electron microscopy, and image analysis. In general, reaction products consisting of alumina, spinel, oxides, and sulfates were found. The contact angles obtained were 124° to 135°. It is concluded that ceramic substrate Sr4Al6O12SO4 is resistant to corrosion by Al–Si alloy, since the slight thickness of the reaction products found in the samples (100μm) considering the severe conditions of the experiment: 1000°C and 100 hours of isothermal temperature. Furthermore, it can be said that Sr4Al6O12SO4 is not wettable by Al–Si alloys.

Construction safety is especially important because the construction industry is so important to a country's development. Significant research and practice have been conducted to mitigate potential risks during construction and improve worker efficiency. With the rapid advancement of cognitive neuroscience and the incorporation of medical technology in recent years, various wearable monitoring devices have been widely used in the construction field for real-time monitoring of workers' physical and mental status. Among these, the use of EEG (Electroencephalogram) in construction environment research allows researchers to gain insight into the physical and mental states of construction workers while performing construction tasks. This review introduces EEG technology and portable EEG devices, followed by an overview of their use in both monitoring workers' adverse reactions and identifying hazards on construction sites, providing an effective guide for EEG research in the construction field and on-site safety management.

It remains unclear in the literature what is the cause of the so-called alkali-carbonate reaction (ACR) damage to concrete yet, a consensus is reached when considering dedolimitization as non-expansive. However, expansion and cracks as distress features are often attributed to alkali-silica reaction (ASR) when evidence of a reactive mineral is found in the aggregate. Evidently, different types of aggregates may produce different types and degrees of damage. Therefore, this work aims to assess the damage to concrete generated and propagated by the so-called ACR susceptible reactive Kingston coarse aggregate through mechanical testing (i.e., direct shear test), microscopy (the damage rating index – DRI), and other techniques. Distinct induced expansion levels (i.e., 0%, 0.05%, 0.12%, and 0.20%) were selected to compare the distress caused by ACR to concrete affected by ASR. Result show that the behaviour of ACR, namely as captured through the DRI, is inconsistent with that of ASR thus attesting to ACR being a distinct distress mechanism.

This paper presents a Modified Gate Diffusion Input (MGDI) design with four inputs for Quantum-dot Cellular Automata (QCA) technology. QCA is a promising nanotechnology that offers benefits such as low power consumption, and high density, making it a potential alternative to CMOS technology. The proposed planar cell design has advantages over previous designs, including a 19% reduction in the number of cells, a 29% reduction in total energy consumption, and a 44% reduction in average energy loss at the same occupancy level. The proposed block is capable of implementing 21 basic combinational functions and various sequential functions. The simulation of functions in 18nm technology and energy consumption calculation indicates that the resulting circuits have improvements of 41%, 27%, 27%, and 20% compared to multiplexers, comparators, four-bit parity circuits, and single-bit memory, respectively. Additionally, the number of cells in the proposed circuits has improved by 10%, 7%, 22%, and 19%, respectively.

A unique method for synthesizing a surface modifier for metallic hydrogen permeable mem-branes based on non-classic bimetallic pentagonally structured Pd-Pt nanoparticles has been de-veloped. It was found that nanoparticles had unique hollow structure. This significantly reduces the cost of their production due to economical use of metal. According to the results of electro-chemical studies, synthesized bimetallic Pd-Pt/Pd-Ag modifier showed excellent catalytic activi-ty (up to 60.72 mA cm–2), long-term stability and resistance to COads poisoning in alkaline oxida-tion reaction of methanol. The membrane with pentagonally structured Pd-Pt/Pd-Ag modifier showed the highest hydrogen permeation flux density up to 27.3 mmol s–1 m–2. Obtained hy-drogen flux density were 2 times higher than that for membranes with classic Pdblack/Pd-Ag modifier and an order of magnitude higher than that for unmodified membrane. Since the rate of transcrystalline hydrogen transfer through a membrane increased, while the speed of transfer through defects remained unchanged, a one and a half times rise in selectivity of the developed Pd-Pt/Pd-Ag membranes was recorded and it amounted to 3514. Achieved results are due to both the synergistic effect of the combination of Pd and Pt metals in the modifier composition and the large number of available catalytically active centers, which are present as a result of non-classic morphology with high-index facets. The specific faceting, defect structure and unusual properties provide great opportunities for the application of nanoparticles in the areas of membrane reac-tors, electrocatalysis, petrochemical and hydrogen industries.

Redox-flow batteries are rechargeable batteries that store energy in two liquid electrolytes, separated by a membrane. During charging and discharging, the electrolytes flow through the membrane and undergo chemical reactions that generate or consume electrical energy. These batteries are known for their scalability and long cycle life and are versatile energy storage technologies developed to enhance efficiency and lower costs. Deep Eutectic Solvents (DES) are eco-friendly alternatives to traditional electrolytes, and their properties have been studied to improve the performance of redox-flow batteries. We investigated choline chloride/ethylene glycol (ChlCl/Eg) mixtures with LiPF6 salt at four concentrations through experimental and MD simulations. The thermophysical and transport properties of the mixture, including density, diffusion coefficient, viscosity, and ionic conductivity, were calculated across a temperature range of 298.15–398.5 K. Our findings indicate that an increase in salt concentration leads to a decrease in diffusion coefficients and ionic conductivity, while increasing the viscosity of the deep eutectic solvent. This research provides valuable insights into the behavior of DES mixtures and can aid in the design and optimization of DES-based processes for use in redox-flow batteries.

The (Ti, Nb)(C, B)/IN625 composite coating with both homogeneous and defect-free microstructure were successfully prepared by in situ on the surface of 42CrMo steel using the coupling of the ultra-high-speed laser cladding (EHLA in German) technology with the direct reaction synthesis (DRS) technology, and were comparatively analyzed with the IN625 coating prepared by the EHLA. The microstructure of the fused cladding layer was investigated by selected scanning electron microscopy (SEM), energy dispersive spectrometer (EDS) and double spherical aberration transmission electron microscopy (DSA-TEM). The residual stress distribution on both sides of the fused cladding interface was characterised by nanoindentation stress test based on the modified O&P method and the G&S energy method. The results show that the interface of (Ti, Nb)(C, B)/IN625 composite coatings is affected by about 670 kJ Joule heat released from the in-situ reaction, and the interfacial width reaches 24 μm, so that it is 6 times higher than that of IN625 coating prepared by EHLA, which effectively reduces the stress gradient in the interfacial region and alleviates the stress mismatch on both sides of the interface. However, the surface hardness of (Ti, Nb)(C, B)/IN625 composite coating is lower than that of the IN625 coating, with a value of about 240 HV0.2, and the average wear weight loss was only 10% of that of the IN625 coating, which is on the one hand attributed to the in-situ authigenic TiCB, TiC, NbMo3B4, and NbMo2B2 phases supporting the (Ti, Nb)(C, B)/IN625 composite coating substrate to achieve the abrasion reduction and wear resistance. On the other hand, it is attributed to the formation of nano-equiaxial ultrafine grains in the depth range of 250 nm below the wear surface area by the coupling of the three fields of plastic rheology-heat-force, which dynamically strengthens the wear surface.

We present a modified characteristic finite element method that exhibits second-order spatial accuracy for solving convection-reaction-diffusion equations on surfaces. The temporal direction adopted backward-Euler method, while the spatial direction employed surface finite element method. In contrast to regular domains, it is observed that the point in the characteristic direction traverses the surface only once within a brief time. Thus, the good approximation of the solution in the characteristic direction holds significant importance for the numerical scheme. In this regard, Taylor expansion is employed to reconstruct the solution beyond the surface in the characteristic direction. The stability of our scheme is then proved. A comparison is made with an existing characteristic finite element method based on face mesh. Numerical examples are provided to validate the effectiveness of our proposed method.

Partially automated driving functions (SAE Level 2) can control a vehicle's longitudinal and lateral movements. However, taking over the driving task involves automation risks that the driver must manage. In severe accidents, the driver's ability to avoid a collision must be assessed, considering their expected reaction behavior. The primary goal of this study is to generate essential data on driver reaction behavior in case of malfunctions in partially automated driving functions for use in legal affairs. A simulator study with two scenarios involving 32 subjects was conducted for this purpose. The first scenario investigated driver reactions to system limitations during cornering. The second scenario examined driver responses to phantom braking caused by the AEBS. As a result, the first scenario shows that none of the subjects could control the situation safely. Due to partial automation, we could also identify a new part of the reaction time, the hands-on time, which leads to increased steering reaction times of 1.18 to 1.74 seconds. In the second scenario, we found that 25 of the 32 subjects could not override the phantom braking by pressing the accelerator pedal, although 16 subjects were informed about the system analog to the actual vehicle manuals. Overall, the study suggests that the current legal perspective on vehicle control and the expected driver reaction behavior for accident avoidance should be reconsidered.

Water electrolysis is a highly efficient route to produce ideally clean H2 fuel with excellent energy conversion efficiency and high gravimetric energy density, without producing carbon trace unlike steam methane reforming, and resolves the issues of environmental contamination via replacing the conventional fossil fuel. Of special importance lies in the advancement of highly effective non-precious catalysts for the oxygen evolution reaction (OER). The electrocatalytic activity of an active catalyst mainly depends on the material conductivity, accessible catalytically active sites, and intrinsic OER reaction kinetics, which can be tuned via introducing heteroatom N in the catalyst stricture. Herein, an efficacious nitrogenation of CuS has been accomplished, which was synthesized using hydrothermal procedure, and characterized for their electrocatalytic activity towards OER. The nitrogen-doped CuO@CuS (N,CuO@CuS) electrocatalyst exhibits superior OER activity than pristine CuS (268 and 602 mV), achieving the low overpotential of 240 and 392 mV at a current density of 10 and 100 mA/cm2, respectively, ascribed to the favorable electronic structural modification triggered by nitrogen incorporation. The N,CuO@CuS also exhibits excellent endurance under varied current rates and a static potential response over 25 h stability measured at 10 and 100 mA/cm2.

The surprisingly high catalytic activity of gold has been known to the heterogeneous catalysis community since the mid-1980s. Significant effort has been directed towards improving the reactivity of these surfaces towards important industrial reactions. One such strategy is the introduction of small amounts of other metals to create Au-based surface alloys. In this work, we investigate the synergistic effect of Pt doping of the Au(111) surface towards decreasing the activation barrier of the methanol dehydrogenation elementary step, within first-principles density functional theory. To this aim we construct several models of \ce{Pt}-doped Au(111) surfaces, including a full \ce{Pt} overlayer and monolayer. The effect of \ce{Pt} surface doping is then investigated via the computation of adsorption energies of the various chemical species involved in the catalytic step, and the estimation of activation barriers of methanol dehydrogenation. Both electronic and strain effects induced by \ce{Pt} surface doping concur in substantially lowering the activation energy barrier of this important reaction elementary step. Morever, in the presence of preadsorbed atomic oxygen, \ce{Pt} surface doping can be used to reduce the activation energy for methanol dehydrogenation to as low as 0.1 eV.

The nanocomposites with reversible cross-linking covalent bonds were prepared by reacting furfurylamine (FA)-modified diglycidyl ether of bisphenol A (DGEBA) and furfuryl-functionalized aniline trimer-modified graphene (TFAT-G) with bismaleimide (BMI) via Diels-Alder (DA) reaction. The successful synthesis of the TFAT modifier is confirmed by NMR hydrogen spectroscopy and IR spectroscopy tests. The structure and properties of TFAT-G epoxy nanocomposites are characterized by SEM, DSC, tensile and resistivity CES. The results show that TFAT-G was uniformly dispersed in the resin, and 1wt% TFAT-G composites increase to 233% for tensile strength, 63% for elongation at break, 66.1% for modulus and 7.8℃ for Tg. Overall, the graphene/self-healing resin nanocomposites have both good self-healing function and electrical conductivity by adding 1% modified graphene and still maintain the original 83% strength and 89% electrical conductivity after one cycle of heating repair.

This feature study attempts on setting a granules involving mesoscopic matter-aggregation context as a problem of passing locally by the matter-aggregating system from classical stochastic (mesoscopic limit) to a quantum description (nanoscale quantum-size effect limit). A d-dimensional entropy-production aggregation of the granules-involving matter is considered in terms of a (sub)diffusive realization. It turns out that when taking a full d-dimensional pathway of the aggregation toward the nanoscale, one is capable of disclosing a Heisenberg type (diffusional) relation, setting up an upper uncertainty bound for the (sub)diffusive very slow granules-including environment that matches the quantum limit of h/2pm (m– average mass of a granule; h – the Planck’s constant) for the diffusion coefficient of the aggregation, likely first proposed by Fürth in 1933, and qualitatively foreseen by Schrödinger some years before, both in the context of a diffusing particle cluster. The classical-quantum passage uncovered here, also termed insightfully the quantum-size effect (as borrowed from the quantum dots’ parlance), works properly for the three-dimensional (d=3) case, making use of a substantial physical fact that the (nano)granules interact readily via their surfaces with the also granular surroundings in which they are immersed. This natural observation is embodied in the basic averaging construction of the diffusion coefficient of the aggregation of interest. Certain, possibly biomedical, applications of the model can also be viewed by prospective inspection of tiny inhomogeneities in nanofibrillar and/or lamellar matter for which certain numerical realizations are plausible to prepare based on thorough nanoscale experiments.

In this perspective article, we ponder topographical enhancements of artificial neural networks. In our recent paper in JMLR, we proved a quasi-equivalence between the network width and depth and also discussed the power of intra-links, which can be viewed as network height. In 1982, Hopfield published a network to model human associative memory, which contains many loops for dynamic evolution toward fixed points. Based on noising-denoising loops, diffusion models are recently developed to enable Bayesian modeling and inference with big data. Furthermore, we envision development of multi-AI-agent systems through “netware” engineering as a quantum leap of software engineering for emergent behaviors and autonomous AI at individual and population levels. We believe that the novel use of links and loops in space and time via multi-scale coupling would catalyze the next-generation neural networks.

The service life of the reinforced concrete structure in the marine environment can be impaired significantly due to chloride-induced corrosion. However, how the chloride diffusion in pre-cracked concrete structures is affected by the hydrostatic pressure magnitude is poorly understood. This study experimentally examined the effect of hydrostatic pressure on the chloride diffusion in pre-cracked concrete. Cracks with five different widths, i.e., 20 μm, 40 μm, 60 μm, 80 μm, and 100 μm, were manually created using a splitting tensile apparatus respectively. The chloride diffusion in the concrete with a certain crack was then studied under four different hydrostatic pressures of 0 MPa, 0.1 MPa, 0.3 MPa, and 0.5 MPa. Experimental results show that the chloride diffusion in concrete with a crack greatly relies on both the hydrostatic pressure and the crack width. The chloride concentration increases as the hydrostatic pressure grows, particularly for the wider cracks with width ranging from 60 μm to 100 μm. Surprisingly, the hydrostatic pressure has a negligible effect on the chloride distribution in the concrete with a crack width no larger than 40 μm. Both the chloride diffusion coefficient and the surface chloride concentration of concrete increased gradually as the hydrostatic pressure increased. The experimental findings enrich our understanding of the behavior of pre-cracked concrete when exposed to chloride-induced corrosion at different depths of marine environments.

Dam breaches have catastrophic consequences, causing severe property damage, life loss, and environmental impact. The Kulekhani reservoir rockfill dam break was studied to evaluate the downstream impact. The appropriate breaching parameter of MacDonald and Langridge (1984) regression equations was selected based on the sixteen observed dam failure cases and cross-sectional geometry of the existing dam of Kulekhani. The 2D Diffusion Wave and Full Dynamic Wave Equation were applied for downstream flood assessment, Full Dynamic Wave was able to capture the physical flow phenomena like river bend effects resulting in higher flow velocity at the outer bend, and formation of eddies considering losses. The application of a Full Dynamic Equation was found to be appropriate for rapidly varying unsteady flow considering steep slopes, and sudden changes in channel geometry. Flood mapping of water depth, flow velocity, flood intensity, and arrival time were carried out for flood hazard assessment classified by the American Society of Civil Engineers (ASCE). Flow depth and extension of the flow area were compared to identify the affected area, higher flow depth and larger extension were observed using a Full Dynamic Wave Equation as a result of less flow velocity considering the losses. Almost 17 minutes of the arrival time of peak difference at the Bagmati River confluence was evaluated between the models which plays an important role in decision-making for selection of the flood model. Flood mitigation with river diversion works through a hydraulic measure of Levee was suggested to protect the highly affected households of Ranche, Nagmar, Khanikhet, and Debaltar towns. Most of the household was found to be safe after the construction of the Levee except for eleven houses that lie along the river below flood elevation of 1269.6 m.a.s.l. This signifies the importance of room for the rivers and the human settlement near the river might be life-threatening.

Valsartan (Val) is an important antihypertensive medication with side effects such as dizziness and angioedema. These constraints are due to the low oral bioavailability and relatively short half-life. The goal here is to incorporate Val into a mixed micelles system that can enhance transdermal delivery. Thin-film hydration and micro-phase separation were used to produce Val-loaded mixed micelle systems. A variety of factors, including surfactant type and drug-to-surfactant ratio, were optimized to produce micelles with low size and high Val entrapment efficiency (EE). The size, polydispersity index (PDI), zeta-potential, and drug entrapment efficiency of the prepared micelles were all measured. The drug release profiles in vitro were assessed using dialysis bags, and the permeation through abdominal rat skin was assessed using a Franz diffusion cell. All formulations had high EE levels exceeding 90% and low particle charges. The micellar sizes ranged from 107.6 to 191.7nm, with average PDI values of 0.3. The in vitro release demonstrated a uniform slow rate that lasted one week with varying extents. F7 demonstrated a significant (P < 0.01) transdermal efflux of 68.84 ± 3.96 µg/cm2/h through rat skin when compared to the control. As a result, the enhancement factor was 16.57. Val-loaded mixed micelles were successfully prepared using two simple methods with high reproducibility, and extensive transdermal delivery was demonstrated in the absence of any aggressive skin modifying enhancers.

A new mesogenic non-symmetric dimeric monomer with a terminal olefin function, forming a twist bend nematic (Ntb) as well as a nematic (N) phase was synthesized, using an enhanced synthetic methodology, which avoids isomerization of the terminal double bond in the preparation of the dimer. This monomer was attached to a pentamethyldisiloxane group, resulting in SmA LC phase behaviour of the ensuing material. Linking the monomer to a siloxane main chain resulted in nematic phase behaviour. Detailed studies with the Ntb phase forming dimer DTC5C7 show full miscibility of the dimer and the new LC polymer in the LC state, suggesting that the side-chain LC polymer forms a Ntb phase as the low temperature nematic phase. Copolymerizing the monomer with a cyanobiphenyl based monomer allows to tune the glass transition and phase behavior further.

The effect of Localized Surface Plasmon (LSP) of 5 nm mean size Au particles deposited on TiO2 P25 was investigated during the photo-thermal water gas shift reaction (WGSR). The effects of CO concentration, excitation light flux and energy, and molecular oxygen addition during the reaction were investigated. The photocatalytic WGSR rate under light excitation with wavelengths extending from 320 to 1100 nm was found to be higher than the thermal reaction alone at the same temperature (85 oC). A ratio H2/CO2 of near unity was found at high concentrations of CO. Addition of molecular oxygen during the reaction resulted in a slight decrease of molecular hydrogen production while the rates of CO2 formation and that of CO consumption changed by one order of magnitude. More important, it was found that the WGSR rates were still high under only visible light excitation (600 - 700 nm). The results prove that Au LSP alone triggers this chemical reaction without the need to excite the semiconductor on which they are deposited.

In the paper, we develop some numerical schemes including finite difference scheme and finite volume scheme for the fractional Laplacian operator, and apply the resulted numerical schemes to solve some fractional diffusion equations. First, the fractional Laplacian operator can be characterized as the weak singular integral by a integral operator with zero boundary condition. Second, because of the solution of fractional diffusion equation is usually singular near the boundary, we apply finite difference scheme to discrete fractional Laplacian operator and fractional diffusion equation by fractional interpolation function. Moreover, it is find that the differential matrix of the above scheme is symmetric matrix, and strictly row-wise diagonally dominant in special fractional interpolation function. Third, we show finite volume scheme to discrete fractional diffusion equation by fractional interpolation function, and analyze the properties of differential matrix. Finally, the numerical experiments are given, and verify the correctness of theoretical results and the efficiency of the schemes.

Agriculture is pivotal in national economies, with pest detection significantly influencing food quality and quantity. Pest classification remains challenging in automated agriculture monitoring systems, exacerbated by the non-uniform pest scales and the scarcity of high-quality datasets. In this study, we constructed a pest dataset by acquiring domain-agnostic images from the Internet and resizing them to a standardized 299x299 pixel format. Additionally, we employed diffusion models to generate supplementary data. While Convolutional Neural Networks (CNNs) are prevalent for prediction and classification, they often lack effective global information integration and discriminative feature representation. To address these limitations, we propose the RS Transformer, an innovative model that combines elements like the Region Proposal Network, Swin Transformer, and ROI Align. Additionally, we introduce the Randomly Generated Stable Diffusion Dataset (RGSDD) to augment the availability of high-quality pest datasets. Extensive experimental evaluations demonstrate the superiority of our approach compared to both two-stage models (SSD and Faster R-CNN) and one-stage models (YOLOv3, YOLOv4, YOLOv5m, YOLOv8, and DETR). We rigorously assess performance using metrics such as mean Average Precision (mAP), F1Score, Recall, and mean Detection Time (mDT). Our research contributes to advancing pest detection methodologies in automated agriculture systems, promising improved food production and quality.

The current study primarily aimed to simulate detonation initiation via turbulent jet flame acceleration in partial-premixed H2-air mixtures. Different vertical concentration gradients were generated by varying the duration of hydrogen injection (referred to as diffusion time) within an enclosed channel filled with air. H2-air mixtures with average hydrogen concentrations of 22.5% (lean mixture) and 30% (near stoichiometric mixture) were investigated at diffusion times of 3, 5, and 60 seconds. Numerical results show that the vertical concentration gradient has a major influence on the early-stage of flame acceleration (FA). In the stratified lean mixture, detonation began in all the diffusion times, and comparing the flame-speed graphs showed that a decrease in the diffusion time and an increase in the mixture inhomogeneity speeded up the flame propagation and the jet flame to detonation transition occurrence in the channel. In the stratified H2-air mixture with an average hydrogen concentration of 30%, transition from a turbulent jet flame to detonation occurred in all the cases, and the mixture inhomogeneity weakened the FA and delayed the detonation initiation.

The increase in carbon dioxide emissions has a significant impact on human society and the global environment. As the most abundant and cheap C1 resource, the conversion and utilization of carbon dioxide has received extensive attention from researchers. In many methods of carbon dioxide conversion and utilization, the reverse water gas conversion reaction is considered to be one of the most effective ways. In this paper, the research progress of reverse water gas conversion reaction in recent years is introduced.

The resistance of Candida spp to fluconazole is a serious problem; Therefore, it must be investigated to expand the understanding of the phenomenon with a view to its clinical applicability. The aim was to evaluate the expression of ERG3, ERG11, CDR1, and SNQ2 genes involving computational analysis. Relative expression was quantified by RT-qPCR. Metrics were obtained by molecular docking and through Fisher's discriminant functions, a predictive classification against susceptibility to fluconazole was performed. The expression of ERG3, CDR1, and SNQ2 genes was higher in resistant strains than in dose-dependent sensitive strains. The gene with the highest expression in strains exposed to fluconazole was CDR1 and, in both resistant and dose-dependent sensitive strains exposed to fluconazole, the ERG11 gene had lower expression. The molecular docking model generated lower median fluconazole-ERG11 contacts than the median fluconazole-ERG3, -CDR1, and -SNQ2 contacts. The predicted classification through the multivariate model for fluconazole sensitivity obtained an accuracy of 73.5%. Resistant strains had a significant expression of CDR1, SNQ2 and ERG3 genes, compared to a comparatively low expression of ERG11. Molecular analysis identified a low affinity between fluconazole and its drug target, which may explain a lower intrinsic susceptibility of the fungus.

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.

Oxygen evolution reaction (OER) is a key half-reaction in electrocatalytic water splitting. Large-scale water electrolysis is hampered by the commercial precious metal-based OER electrocatalysts owing to their high cost and slow kinetics. To address these issues, we present a facile one-pot room-temperature coprecipitation method to quickly synthesize carbon nanotubes-interconnected amorphous NiFe-layered double hydroxides (NiFe-LDH@CNT) as low-cost, efficient and stable OER electrocatalyst. NiFe-LDH@CNT hybrid catalyst delivers outstanding OER performance with a low onset overpotential of 255 mV and a small Tafel slope of 51.2 mV dec-1, as well as outstanding long-term stability. The terrific catalytic capability of NiFe-LDH@CNT can be associated with the synergistic effects of its room-temperature synthesized amorphous structure, bi-metallic modulation, and conductive CNT skeleton. The room-temperature synthesis can not only offer economic feasibility, but also obtain amorphous NiFe-LDH without crystalline boundaries, facilitating long-term stability during OER process. The bi-metallic nature of NiFe-LDH guarantees a modified electronic structure, providing additional catalytic sites. Simultaneously, the highly conductive CNT network fosters a nanoporous structure, facilitating electron transfer, O2 release and enriching catalytic sites. This study presents a strategy to purposefully design nanoarchitecture and facilely synthesize amorphous transition metal-based OER catalysts, ensuring the cost effectiveness, production efficiency, and long-term stability.