Membrane Inlet Mass Spectrometry (MIMS) was used to analyze monochloramine solutions (NH₂Cl) and ammonia solutions in a compact FTICR. Chemical ionization enables identification and quantification of the products present in the permeate. The responses of protonated monochloramine and ammonium increase linearly with the solution concentration. The enrichments were respectively 1.2 and 5.5. Pervaporation is dependent on pH and only the basic form of ammonia NH₃ pervaporates through the membrane. Unexpectedly, the small ammonia molecule permeated very slowly. It could be due to interactions with water molecules inside the membrane that create clusters. Moreover, NH₂Cl solutions, in addition to the NH₃Cl⁺ signal, presented a strong NH₄⁺ signal at m/z 18.034 . Ammonia presence in the low-pressure zone before ionization is probable as NH₄⁺ was detected with all the precursors used, particularly CF₃⁺ and trimethylbenzene that presents a proton affinity higher than monochloramine. Ammonia may be formed inside the membrane due to the fact that NH₂Cl is unstable and may react with the water present in the membrane. Those results highlight the need for caution when dealing with chloramines in MIMS and more generally with unstable molecules.

The Biginelli reaction is a highly versatile reaction, which leads to dihydropyrimidinones/thiones. This scaffold is reported as being a privileged structure due to its ability to interact with biological targets. Synthesis of ethyl 4-(2-fluorophenyl)-6-methyl-2-thioxo-1-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate was achieved through the Biginelli reaction using a functionalized thiourea. In silico studies demonstrated that the compound title showed good potential for interacting with ecto-5’-nucleotidase, which has been considered as a target in designs for anti-cancer drugs.

Drug Reaction with Eosinophilia and Systemic Symptoms (DRESS) is a rare and potentially life-threatening systemic drug reaction with skin involvement. We present the unusual case of DRESS in a 16-year-old male that was treated with TMP-SMX for acne and was initially misdiagnosed with Steven Johnson Syndrome. Our case serves as an example to healthcare providers treating adverse drug reactions to having a high clinical suspicion for DRESS as delay in diagnosis and treatment can result in disseminated disease and higher patient mortality risk.

The construction of optimized biological fuel cells requires a cathode which combines the longevity of a microbial catalyst with the power density of an enzymatic catalyst. Laccase secreting fungi were grown directly on the cathode of a biological fuel cell to facilitate the exchange of inactive enzymes with active enzymes with the goal of extending the lifetime of laccase cathodes. Additionally, a functionally graded coating was developed to increase enzyme loading at the cathode. Directly incorporating the laccase producing fungus at the cathode extends the operational lifetime of laccase cathodes while eliminating the need for frequent replenishment of the electrolyte. Additionally, the hybrid microbial-enzymatic cathode addresses the issue of enzyme inactivation by using the natural ability of fungi to exchange inactive laccases at the cathode with active laccases. Finally, enzyme adsorption was increased through the use of a functionally graded coating containing an optimized ratio of titanium dioxide nanoparticles and single walled carbon nanotubes. The hybrid microbial-enzymatic fuel cell combines the higher power density of enzymatic fuel cells with the longevity of microbial fuel cells and demonstrates the feasibility of a self-regenerating fuel cell in which inactive laccases are continuously exchanged with active laccases.

In this paper, the author utilizes Saddle Theorem and variational methods to deduce existence of at least six stationary solutions for reaction-diffusion Gilpin-Ayala competition model (RDGACM). To obtain the global stabilization of the positive stationary solution of the RDGACM, the author designs a suitable impulsive event triggered mechanism (IETM) to derive the global exponential stability of the the positive stationary solution. It is worth mentioning that the new mechanism can exclude Zeno behavior and effectively reduce the cost of impulse control through event triggering mechanism. Besides, compared with existing literature, the restrictions on the parameters of the RDGACM are relaxed so that the methods used in existing literature can not be applied to the relaxed case of this paper, and so the author makes comprehensive use of Saddle Theorem, orthogonal decomposition of Sobolev space $H_0^1(\Omega)$ and variational methods to overcome the mathematical difficulty. Numerical examples show the effectiveness of the methods proposed in this paper.

The simultaneous evaluation of heat/mass transference procures momentous significance in the polymer industry and engineering activities. Extensive utilization of such aspects includes propylene flares, heat exchangers, energy transfiguration in chilling towers, and amputation of post fortuitous heat in nuclear reactors. Owing to such prospective demands, we interpreted the Jeffrey liquid reactive flow under non-linear convection. We scrutinized the transference of heat/mass under generalized Fourier-Fick relations. Thermal conductivity depends on temperature while mass diffusivity is dependent on concentration. Besides, heat source along with first-order chemical reaction aspects are accounted for. Relevant transformations are exerted to achieve non-linear differential systems that are solved through the homotopy scheme. Influences of divers factors are exhibited via graphical benchmark.

The conversion of CO2 into more synthetically flexible CO is an effective and potential method for CO2 remediation, utilization and carbon emission reduction. In this paper, the reaction of carbon-carbon dioxide (Boudouard reaction) was performed in a microwave fixed bed reactor using semi-coke (SC) as both the microwave absorber and reactant and was systematically compared with that heated in a conventional thermal field. The effects of the heating source, SC particle size, CO2 flow rate and additives on CO2 conversion and CO output were investigated. By microwave heating (MWH), CO2 conversion reached more than 99 %, while by conventional heating (CH), the maximum conversion of CO2 was approximately 29% at 900 °C. Meanwhile, for the reaction with 5 wt% Barium Carbonate added as a promoter, the reaction temperature was significantly reduced to 750 °C with almost quantitative conversion of CO2. Further kinetic calculations showed that the apparent activation energy of the reaction under microwave heating was 46.3 kJ/mol, which was only one-third of that observed under conventional heating. The microwave-assisted Boudouard reaction with catalytic barium carbonate is a promising method for carbon dioxide utilization.

The present study explores the potential impact of peers' omnipresence at school on children's academic performance. We tested 99 fourth-graders either alone or with a classmate in a task involving both numeracy and literacy skills: numerosity comparison and phonological comparison. Ninety-seven college-aged young adults were also tested on the same task, either alone or with a familiar peer. Peer presence yielded a reaction time (RT) speedup in children, and this social facilitation was at least as important as that seen in adults. RT distribution analyses indicated that the presence of a familiar peer promotes the emergence of adult-like features in children. This included shorter and less variable reaction times (confirmed by an ex-Gaussian analysis), increased use of an optimal response strategy and, based on Ratcliff’s diffusion model, speeded up non decision (memory and/or motor) processes. Peer presence thus allowed children to, at least, narrow (for demanding phonological comparisons), and, at best, virtually fill in (for unchallenging numerosity comparisons) the developmental gap separating them from adult levels of performance. These findings confirm the influence of peer presence on skills relevant to education and lay the ground for exploring how the brain mechanisms mediating this fundamental social influence evolve during development.

3,4-Dihydro-2(1H)-pyridones (3,4-DHPo) and their derivatives are privileged structures present in natural products, which has been increased its relevance due to its biological activity in front of a broad range of targets, but especially for its importance as synthetic precursors of a variety of compounds with marked biological activity. Taking into account the large number of contributions published over the years regarding this kind of heterocycle, here we presented a current view of 3,4-dihydro-2(1H)-pyridones (3,4-DHPo), which include general aspects such as those related to nomenclature, synthesis, and biological activity; but also highlighting the importance of DHPo as building blocks of other relevance structures.

Liquid manipulation by photoisomerization attracts recent attentions as a new active droplet control method for micro-chemical analysis. Such a non-inverse manipulation can be realized by a use of solution liquid of surfactant that exhibits the \emph{cis}-\emph{trans} isomerization triggered by light irradiation with a specific wavelength such as ultraviolet light. Since the isomerization is accompanied by changes in fluid properties, a light irradiation on one of liquid-air interfaces of a liquid column in a tube would generate differences in the wettability accompanied between the both sides of the finite liquid column. Although this technique has been demonstrated experimentally by Muto et al. (\emph{Euro.~Phys.~J.~Special Topics}, {\bf 226}, 2016, 1199--1205), its dynamics and developments of each isomer distribution are not understood. In order to reveal the liquid-column migration phenomenon, we have performed numerical simulations of air-liquid two-phase flows and its scalar transport of the isomer, using the Volume-of-Fluid method in conjunction with the Continuum-Surface-Force model and Continuous-Species-Transfer method. We validated present results by comparison with experimental result in terms of the migration distance of the liquid column. We confirmed a termination of the liquid-column migration occurs when the \emph{cis} isomer distribution reaches the non-irradiated region. The migration speed was less dependent on the liquid-column length and was proportional to the tube diameter.

With the evolution of toxic chemicals continuing to progress, developing methods for the destruction of chemical warfare agents (CWAs) has become an increasingly important research topic. Metal-organic frameworks (MOFs) are a class of porous crystalline solids that have sparked interest in this area. Due to their exceptional porosities and large surface areas, MOFs possess superior adsorption, reactivity, and catalytic abilities, making them structurally ideal candidates for the capture and decomposition of target species. Additionally, the tunable networks of MOFs allow their chemical functionalities to be customized for various applications and operating conditions, making them practicable in personal protective equipment and adjustable to dynamic environments. This paper reviews experimental and computational studies on CWA removal by MOFs, with a special emphasis on nerve agent (GB, GD, and VX) removal via hydrolysis and sulfur mustard (HD) removal via selective photooxidation. With extraordinary structural stability and reusability, zirconium-based MOFs are the most promising materials for hydrolytic and photooxidative degradation of CWAs and are thus the primary focus of this work. First-principles approximations of the intrinsic catalytic reaction mechanisms towards different agents in Zr-MOFs are summarized, and developments in the structure-property relationships governing Zr-MOF design rules for efficient degradation in the aqueous and solid phases are discussed. We also examine recent progress in tuning and functionalizing MOFs to promote practical CWA removal under realistic battlefield conditions.

In this work, anchoring of cinchona derivatives to trifunctional cores (hub approach) was demonstrated to obtain size-enlarged organocatalysts. By modifying the cinchona skeleton in different positions, we prepared four C3-symmetric size-enlarged cinchona derivatives (hub-cinchonas), which were tested as organocatalysts and their catalytic activities were compared with the parent cinchona (hydroquinine) catalyst. We showed that in the hydroxyalkylation reaction of indole, hydroquinine provides good enantioselectivities (up to 73% ee), while the four new size-enlarged derivatives gave significantly lower values (up to 29% ee) in this reaction. Anchoring cinchonas to trifunctional cores was found to facilitate nanofiltration-supported catalyst recovery using PolarClean alternative solvent. The C3-symmetric size-enlarged organocatalysts were completely rejected by all the applied membranes, whereas the separation of hydroquinine was found to be insufficient using organic solvent nanofiltration. Furthermore, the asymmetric catalysis was successfully demonstrated in the case of Michael reaction of 1,3-diketones and trans-β-nitrostyrene using Hub3-cinchona (up to 96% ee) as a result of the positive effect of the C3-symmetric structure using a bulkier substrate. This means an increased selectivity of the catalyst in comparison to hydroquinine in the latter Michael reaction.

The steady-state, coupled heat and mass transfer from a fluid flow to a sphere accompanied by an exothermal catalytic chemical reaction on the surface of the sphere is analysed taking into consideration the effect of thermal radiation. The flow past the sphere is considered steady, laminar and incompressible. The radiative transfer is modeled by P₀ and P₁ approximations. The mathematical model equations were discretized by the finite difference method. The discrete equations were solved by the defect correction – multigrid method. The influence of thermal radiation on the sphere surface temperature, concentration and reaction rate was analysed for three parameter sets of the dimensionless reaction parameters. The numerical results show that only for very small values of the Prater number the effect of thermal radiation on the surface reaction is not significant.

IIAEK (Ile-Ile-Ala-Glu-Lys, lactostatin) is a novel pentapeptide from bovine milk β-lactoglobulin which lowers cholesterol levels. However, the molecular mechanisms underlying the suppression of intestinal cholesterol absorption by IIAEK are unknown. Therefore, we evaluated the effects of IIAEK on intestinal cholesterol metabolism in Caco-2 cells in a human intestinal model. We found that IIAEK significantly reduced the expression of intestinal cholesterol metabolism-associated genes, particularly that of the ATP-binding cassette transporter A1 (ABCA1) protein. Subsequently, we chemically synthesized a novel molecular probe, IIXEK, which can visualize a complex of target proteins interacting with photoaffinity-labeled IIAEK by fluorescent substances. Photoaffinity labeling and MS analysis with IIXEK for the rat small intestinal mucosa and intestinal lipid raft fractions of Caco-2 cells, we identified intestinal alkaline phosphatase (IAP) as a specific molecule interacting with IIAEK and discovered IIAEK common binding amino acid sequence, GFYLFVEGGR. Transfection of IAP siRNA counteracted the decrease in ABCA1 mRNA levels in Caco-2 cells. IIAEK significantly increased IAP mRNA and protein levels, and significantly decreased ABCA1 mRNA and protein levels in Caco-2 cells. In conclusion, we found that IIAEK targets IAP to improve cholesterol metabolism via a novel signaling pathway with a specific activation of IAP and down-regulation of intestinal ABCA1.

Introduction: Valproic acid (VPA) is an antiepileptic drug extensively used for treating partial and generalised seizures, acute mania and as prophylaxis for bipolar disorder. Drug-induced liver injury (DILI) persists as a significant issue related to fatal outcomes by VPA. The aim of this study was to increase our knowledge about this condition and to better identify patients affected. Methods: We conducted an observational retrospective case-control study that identified cases of DILI by VPA from the Pharmacovigilance Programme from our Laboratory Signals at La Paz University Hospital from January 2007 to December 2019. From the Therapeutic VPA Monitoring Programme, two control groups were assigned, VPA-tolerant patients and the other with patients who developed mild VPA-related hepatitis but who did not meet the DILI criteria, matched for date, age and sex. Results: A total of 60 patients were included in the study: 15 cases of DILI, 30 VPA-tolerant controls and 15 controls with mild hepatitis. Mean age for the cases was 45.7 years, 4(26.7%) were women and 5(33.34%) were children under 18 years, of them 3(20%) were fatal. Polytherapy with other antiepileptic drugs (p=0.047) and alcohol consumption (p<0.001) were associated with a greater risk of developing DILI by VPA. A diagnosis of epileptic seizure was more frequently related to DILI when compared with the VPA-tolerant controls (p<0.001). The cases developed hepatocellular hepatitis (p<0.001), while the mild hepatitis controls had a higher rate of cholestatic hepatitis (p<0.001). The laboratory lactate dehydrogenase values were statistically higher (even at baseline) in patients with DILI than in both control groups (p= 0.033 and p=0.039). Conclusions: VPA hepatotoxicity remains a considerable problem. This study offers interesting findings for characterising VPA-induced liver injury and at-risk patients.

Adaptive Cruise Control (ACC) is useful in the most dangerous maneuvers such as braking and acceleration. This study assesses how ACC modifies traffic flows by analysing the differences be-tween manual and autonomous driving in connected and autonomous vehicles (CAVs). Using a platoon of 80 vehicles, tested in pairs on the road, it was possible to define the speed trends during braking and acceleration and the reaction times to the driving maneuvers (PRT, TH, TCC) with a kinematic data detector. The interactions between the CAV and the driver, have been studied in-novatively, i.e through gaze analysis. Situations of potential danger, characterized by the braking of the vehicle that precedes the car with the driver equipped with the eye tracker tool, have been recreated, considering the influence of the driver’s ACC experience. Results statistically confirmed that with the ACC switched on the reaction times are greater than manual driving (2.4/3.8 sec); this can lead to a reduction in road safety, further motivated by the rapid decrease in speed. The interpolation between automated and human data, finally, has allowed the detection of some criticalities of the system that are fundamental in order to reach the second level of automation.

Background: Wolbachia sp. is an endosymbiotic bacterium that is widespread among arthropods and filarial nematodes. It affects the fertility and maturation of its arthropod hosts, which in some cases are vectors of infectious diseases of humans and animals. Acanthocheilonema reconditum is a canine filarial nematode, which can eventually infect humans through arthropods. An outbreak of A. reconditum has been reported recently in dogs in the southwest of Colombia, specifically in Cali. In addition, Wolbachia sp. is currently used for the biological control of the mosquito Aedes egypti in cities in the north and south-west of Colombia. Aedes egypti is a vector of dengue fever, a major public health disease in tropical and subtropical areas of the world. The objectives of this study were to detect Wolbachia sp. in mosquito and flea samples collected from dogs in southwestern Colombia and to determine the co-infection of Wolbachia sp. and A. reconditum in the recent outbreak of canine filariasis in Santiago de Cali. Methods: A total of 18 mosquitoes of the genera Aedes and Culex and 18 Ctenocephalides felis fleas were collected in Santiago de Cali and nearby municipalities. DNA was extracted and 16S rRNA and ftsZ gene fragments were identified using conventional and nested polymerase chain reaction. In addition, the presence of Wolbachia sp. was analyzed in 55 cases positive for A. reconditum previously detected in the city, using the same molecular techniques. Results: From the analysis of 18 mosquitoes and 18 fleas, using molecular techniques based on the 16S rRNA and ftsZ genes, Wolbachia sp. was detected in all the arthropods analyzed. Wolbachia sp. was not detected in the samples obtained from dogs infected with A. reconditum. Conclusions: Molecular analyses were shown to be effective for the identification of Wolbachia sp. in mosquitoes and fleas but not in samples positive for A. reconditum.

Purpose of the study was to explore the association of cognition with hazardous drinking, binge drinking and alcohol use disorder in schizophrenia and schizoaffective disorder. Cognitive deficits are common in schizophrenia. Alcohol might be associated with additional cognitive impairment in schizophrenia patients. The study population included 3362 schizophrenia and schizoaffective disorder patients in Finland. Hazardous drinking was screened with the AUDIT-C (Alcohol Use Disorders Identification Test for Consumption) screening tool. Binge drinking was obtained from the AUDIT-C. Alcohol use disorder (AUD) diagnoses were obtained from the national registrar data. Participants performed two computerized tasks from the Cambridge automated neuropsychological test battery (CANTAB) on tablet computer: the 5-choice serial reaction time task (5-CSRTT), or, reaction time (RT) test and the Paired Associative Learning (PAL) test. Association of alcohol use with RT test and PAL test was analyzed with log-linear regression and logistic regression, respectively. After adjustment for age, education and age at first psychotic episode, hazardous drinking in females was associated with lower median RT. Compared to never binge drinkers, male and female participants drinking 6 or more doses of alcohol monthly or less had lower median RT. In the PAL test both first trial memory score (FTMS) and total errors adjusted score (TEAS) were associated with better performance in males drinking 6 or more doses of alcohol weekly or more and in females drinking 6 or more doses monthly or less. Higher PAL TEAS was associated with AUD in females Some positive associations between alcohol and cognition were found in male and female schizophrenia and schizoaffective disorder patients with hazardous drinking and binge drinking.

Bio-devices are designed to allow biological matter to perform in vitro almost the same functions it performs in vivo. Therefore, they can benefit from the specificities of such materials and are expected to perform better than traditional devices. On the other hand, the integration of biological material with electronic/electrochemical instrumentation requires careful attention and can produce unconventional results. In this paper, we describe the impedance response of an electrochemical cell that converts sunlight into electrical power. It uses the photosynthetic system known as Reaction Center, which is the core of photosynthesis in several living beings. Under illumination, an abrupt transformation drives the cell electrical response from insulator to conductor and a photocurrent is observed. The impedance spectrum shows a peculiar shape which significantly modifies with the protein activation. It has been analyzed by means of a graphical/analytical/ numerical procedure. The modelling identifies an analogue electrical circuit, whose parameters give quantitative information about the underlying process. Finally, an appropriate normalization of data is proposed which validates data in dark and light and can be useful as a fast screening of measurements.

A key in controlling the SARS-CoV-2 pandemic is the assessment of the immune status of the population. We explored the utility of SARS-CoV-2 virus-like particles (VLPs) as antigens to detect specific humoral immune reactions in an enzyme-linked immunosorbent assay (ELISA). For this purpose, SARS-CoV-2 VLPs were produced from an engineered cell line and characterized by western blot, ELISA and nanoparticle tracking analysis. Subsequently, we collected 42 serum samples from before the pandemic (2014), 89 samples from healthy-, and 38 samples from vaccinated subjects. Seventeen samples were collected less than three weeks after infection, and 44 samples more than three weeks after infection. All serum samples were characterized for their reactivity with VLPs and the SARS-CoV-2 N- and S-protein. Finally, we compared the performance of the VLP-based ELISA with a certified in vitro diagnostic device (IVD). In the applied set of samples, we determined a sensitivity of 95.5 % and a specificity of 100 % for the certified IVD. There were 7 samples with an uncertain outcome. Our VLP-ELISA showed superior performance with a sensitivity of 97.5 %, a specificity of 100 %, and only 3 uncertain outcomes. This result warrants further research to develop a certified IVD based on SARS-CoV-2 VLPs as an antigen.

The prevalence of food allergy has increased over the last decades and consequently the food labeling policies have improved over the time in different countries to regulate allergen presence in foods. In particular, Reg 1169 in EU mandates the labelling of 14 allergens whenever intentionally added to foods, but the inadvertent contamination by allergens still remains uncovered topic. In order to warn consumers on the risk of cross-contamination occurring in certain categories of foods, a precautionary allergen labelling system has been put in place by food industries on voluntary basis. In order to reduce the overuse of PAL, reference doses and action limits have been proposed by the VITAL project representing a guide in this jeopardize scenario. Development of sensitive and reliable mass spectrometry methods are therefore of paramount importance in this regard to check the contamination levels in foods. In this paper we describe the development of a managed time MRM method based on a triple quadrupole platform for milk and egg quantification in processed food. The method was in house validated and allowed to achieve levels of proteins lower than 0.2mg of total milk and egg proteins respectively in cookies, challenging the doses recommended by VITAL. The method was finally applied to cookies labeled as milk and egg-free. This method could represent in perspective a promising tool to be implemented along the food chain to detect even tiny amounts of allergens contaminating food commodities.

Ribosomes are macromolecular complexes important to protein translation, and thus, essential to life. Comprising an ensemble of ribosomal proteins and RNA molecules, ribosomes are conserved in structure and function across all domains of life, but recent structural studies have revealed differentiated structures of ribosomes from bacterial, archaea and eukaryotes. Additionally, unique ribosomal protein mass fingerprints have been found for individual species; thereby, indicating that ribosomes are differentiated in structure amongst different species. Given that structure defines function, differentiated function likely exists amongst ribosomes of different species, which could manifest as differences in translation efficiency that could impact on cell growth rate. But ribosomal proteins also hold phylogenetic significance in informing the evolutionary trajectory of each species. Such ribosomal proteins are thus not highly conserved and offers sufficient sequence space for the evolution of differentiated structure and function in different species. Using ribosomal proteins that hold phylogenetic significance as templates, this study sought to understand the mutational and conformational limits that define functional ribosomes. Specifically, ribosomal proteins in Bacillus subtilis that hold phylogenetic cues would be mutated through error-prone polymerase chain reaction to generate variants that are subsequently transformed into Escherichia coli. To help assess the functional properties of the heterologous ribosomal proteins, endogenous ribosomal protein genes would be inactivated by multiplex CRISPR interference. Since variants in ribosomal proteins would likely impact on ribosome function and translation efficiency, live/dead screening on LB agar would be effective as a preliminary screen for functional mutants. These mutants would subsequently be inoculated into liquid LB medium in 96 well plates to quantify relative growth rates between different strains harbouring different heterologous variants of ribosomal proteins. Plasmids containing different ribosomal protein mutants would be extracted from each functional strain and subjected to Sanger sequencing for determining the specific mutations involved. Collection of such mutations would provide a comprehensive mutational map that define the limits of ribosomal protein sequence space important to ribosome function. Furthermore, biochemical isolation of ribosomal proteins and their structural characterization by X-ray crystallography or cryo-electron microscopy would further illuminate the structural significance of each mutation on ribosome structure and function; thereby, elucidating the structural tolerance space for functional ribosomes. Overall, generating a diverse pool of mutant ribosomal proteins in viability assays followed by sequencing and structural characterization would help define the mutational and conformational limits of a functional and efficient ribosome.

In this paper, Lyapunov-Razumikhin technique, design of state-dependent switching laws, a fixed point theorem and variational methods are employed to derive the existence and the unique existence results of (globally) exponentially stable positive stationary solution of delayed reaction-diffusion cell neural networks under Dirichlet zero boundary value, including the global stability criteria \textbf{in the classical meaning}. Next, sufficient conditions are proposed to guarantee the global stability invariance of ordinary differential systems under the influence of diffusions. New theorems show that the diffusion is a double-edged sword in judging the stability of diffusion systems. Besides, an example is constructed to illuminate that any non-zero constant equilibrium point must be not in the phase plane of dynamic system under Dirichlet zero boundary value, or it must lead to a contradiction. Next, under Lipschitz assumptions on active function, another example is designed to prove that the small diffusion effect will cause the essential change of the phase plane structure of the dynamic behavior of the delayed neural networks via a Saddle point theorem. Finally, a numerical example illustrates the feasibility of the proposed methods.

The closed forms of the non-resonant thermonuclear function in the Maxwell-Boltzmann and Tsallis case with depleted tail are obtained in generalized special functions. The results are written in terms of H-function of two variables. The importance of the results in this paper lies in the fact that the reaction rate probability integrals in Maxwell-Boltzmann and Tsallis cases are not obtained by the conventional method of approximation or by means of a single variable transform technique but by means of a two variable transform method. The Behaviour of the depleted non-resonant thermonuclear functions are examined using graphs. The results in the paper are of much interest to astrophysicists and statisticians in their further work in this area.

The present work aims to explain the aluminum hydrolysis reaction kinetics based on properly chosen theoretical model with machined aluminum waste chips and alkali solutions up to 1M as a promoter, and to estimate overall reaction profit. In order to obtain results of better accuracy, we work with flat Al waste chips because a flat surface is preferable to maximally increase the time for created hydrogen bubbles to reach the critical gas pressure. At describing the reaction kinetics, flat shape allows using a planar one-dimensional shrinking core model instead of much complicated polydisperse spheric shrinking core model. We analyze the surface chemical reaction and mass transfer rate steps to obtain the first order rate constant for surface reaction and the diffusion coefficient of aqueous reactant in the byproduct layer, respectively. With our reactor we achieved H2 yield of 1145 mL per 1 g Al with 1M NaOH, which is 92% of the theoretical maximum. At estimation of the profit, we pay much attention to the loss of alkaline and find a crucial dependence on its price. Nevertheless, in terms of consumed and originated materials for sale, conversion of the aluminum waste material into green hydrogen by properly chosen reaction parameters has a positive profit even by consuming alkali of chemical grade.

Smartphones have become an integral part of our everyday lives and keep us busy while doing other primary activities such as driving, cycling or walking in traffic. The problem of digital distraction among drivers has been largely addressed, and interest is growing also on vulnerable road users as well: In fact, high percentages of pedestrians and cyclists are accustomed to checking their devices while moving in traffic. This research links to the presented theme and aims to investigate the extent to which digital distraction in the form of social media app checking influences pedestrian behavior. The focus of the study is specifically on signalized intersections. An outdoor, eye-tracking experiment was conducted on a specific route consisting of various elements typical of urban areas. Participants were asked to walk the predefined route twice, en-countering three signalized intersections: the first time they were asked to walk with their smartphone in hand, the second time without. The recordings of each participant's route were then analyzed, examining reaction time, crossing time and speed, fixations, and gaze paths. The results show a clear impact of digital devices on pedestrians' attention by increasing their reaction and crossing times and decreasing crossing speeds. In addition, the analysis of fixations found that 82.54% of the time was devoted to the smartphone, while interest in other street ele-ments decreased from 16.64% to 4.03%.

Iron-containing nickel sulfides, selenides, and sulfoselenides were synthesized via a simple two-step hydrothermal reaction (temperature 160 °C) for their application as electrocatalysts in the oxygen evolution reaction (OER) in an alkaline solution (1 mol L–1 KOH). The study demonstrated that iron-containing nickel cobalt sulfides and selenides exhibit superior OER performance with lower overpotentials compared to iron-free nickel cobalt sulfide and selenide, which highlights the significant role of iron in enhancing OER nickel cobalt electrocatalysts: Fe0.1Ni1.4Co2.9(S0.87O0.13)4, η50 = 318 mV; Fe0.2Ni1.5Co2.8(S0.9O0.1)4, η50 = 310 mV; Fe0.3Ni1.2Co2.5(S0.9O0.1)4, η50 = 294 mV; Fe0.6Ni1.2Co2.5(S0.83O0.17)4, η50 = 294 mV, Fe0.4Ni0.7Co1.6(Se0.81O0.19)4, η50 = 306 mV compared to Ni1.0Co2.1(S0.9O0.1)4, η50 = 346 mV and Ni0.7Co1.4(Se0.85O0.15)4, η50 = 355 mV (all values at current densities η50 of 50 mA cm–2). Furthermore, the iron-containing nickel cobalt sulfoselenide Fe0.5Ni1.0Co2.0(S0.57Se0.25O0.18)4 displayed exceptional OER performance with η50 = 277 mV, surpassing the benchmark RuO2 electrode with η50 = 299 mV. The superior performance of the sulfoselenide was attributed to its low charge transfer resistance (Rct) of 0.8 Ω at 1.5 V vs. the reversible hydrogen electrode (RHE). Moreover, the sulfoselenide demonstrated remarkable stability, with only a minimal increase in overpotential (η50) from 277 mV to 279 mV after a 20 h chronopotentiometry test. These findings suggest that trimetallic iron, nickel and cobalt sulfide, selenide and especially sulfoselenide materials hold promise as high-performance, cost-effective, and durable electrocatalysts for sustainable OER reactions. This study provides a valuable approach for the development of efficient electrocatalytic materials, contributing to the advancement of renewable energy technologies.

A right frontoparietal neoplastic lesion was found in a young-aged patient with analgesic refractory headache. Surgical resection was performed, and the pathologist analysis turned out a cellular ependymoma with signs of anaplasia. In the follow-up, a MRI showed a suspicious lesion, so a [18F]Fluorocholine PET/CT was performed. An increased uptake was described in the right parietal region on the margin of residual cystic lesion. The patient got a complete resection which was confirmed later by MR. In the pathology analysis, a focally congestive cerebral parenchyma with a central histiocytic reaction to foreign body area was described. Foreign body reaction in brain tissue is a very rare immune response that has not been well studied. Haemostatic material has been reported as a possible trigger of this response in other organs and could be detected by [18F]FDG PET/CT. Following the experience of the current case report, [18F]Fluorocholine PET/CT could also show a false positive related to foreign body reaction.

There is a relationship between systemic sarcoidosis (SS) and malignancy. Sarcoidosis results from an exaggerated immune response in genetically susceptible individuals. In oncologic pa-tients with sarcoidosis, tumoral antigens and antineoplastic treatment are considered potential triggering factors. The observation of a patient with granulomas in a parotid carcinoma that later developed SS led us to review previous tumors of patients with SS. The aim of the study is to see if granulomas were already present in the tumors that preceded sarcoidosis. We identified 196 sarcoidosis patients, 47 of which had a previous tumor. We were able to review 29 cases 12 of which showed tumor associated granulomas (TAGs)(41.4%). This ratio is much higher than that of the normal population. We analyzed five control patients without sarcoidosis for each tumor. In conclusion, we have observed TAGs in patients who later develop SS. In our series, the ratio of TAGs in patients with SS was significantly greater than in the normal population. To prove our findings, we suggest reviewing the history of patients with SS in search of previous tumors. The histology of such tumors should be reviewed in an attempt to identify granulomas.

Pathogen-host interaction (virus-host, bacteria-host and fungi-host) is analyzed from the perspective of biothermodynamics. A mechanistic model of pathogen-host interactions, which was earlier applied to virus-host interactions, was applied for the first time to bacteria-host and fungi-host interactions. Through a mechanistic model suggested in this research, it is possible to explain the phenomenon of tropism of microorganisms to develop infections in certain tissues. Gibbs energy of biosynthesis represents the driving force for growth of bacteria inside host organisms. A growing bacterial colony represents a thermodynamic system, while the host organism is its surroundings. The permissiveness coefficient determines the possibility of growth of bacteria in an appropriate environment (tissue).

The reckless use of non-replenishable fuels by the growing population for energy and the resultant incessant emission of hazardous gases and waste products into the atmosphere insisted scientists to fabricate materials capable of managing these global threats at once. In recent studies, photo-catalysis employed focus on utilizing renewable solar energy to initiate chemical processes with the aid of semiconductors and highly selective catalysts. A wide range of nanoparticles have showcased promising photocatalytic properties. Ultrasmall metal nanoclusters (MNCs) with sizes below 2 nm, stabilized by ligands shows discrete energy levels, exhibits unique optoelectronic properties which are vital to photocatalysis. In this review, we intend to compile information on varying photocatalytic efficiency of metal NCs with respect to changes in their properties. Review discusses about the photocatalytic activity of atomically precise ligand-protected MNCs and its hybrids in the domain of in energy conversion processes like photodegradation of dyes, Oxygen Evolution Reaction (ORR), Hydrogen Evolution Reaction (HER) and CO2 Reduction Reaction (CO2RR), and photosensitizer in solar cell.

The steady-state multiplicity of the porous, non-isothermal, catalyst pellet when two parallel and consecutive chemical reactions take place was analysed in this work. The geometry selected for the catalyst pellet is finite hollow cylinder. A numerical multigrid continuation technique with the preconditioned conjugate gradient squared as coarse grid solver was used. The continuation parameter is the dimensionless adiabatic heat rise (Prater number) for the first chemical reaction. The effect of the other governing parameters was analysed and the results are compared to those provided by the single chemical reaction.

Significant progress has been made in understanding the computational and neural architecture that mediates eye and hand movements made in isolation. However, less is known about the mechanisms that control these movements when they are coordinated. Here, we outline our computational approaches using accumulation-to-threshold and race-to-threshold models to elucidate the mechanisms that initiate and inhibit these movements. We suggest that, depending on the behavioral context, the initiation and inhibition of coordinated eye-hand movements can operate in two modes- coupled and decoupled. The coupled-mode operates when the task context requires a tight coupling between the effectors; a common command initiates both effectors, and a unitary inhibitory process is responsible for stopping them. Conversely, the decoupled mode operates when the task context demands weaker coupling between the effectors; separate commands initiate the eye and hand, and separate inhibitory processes are responsible for stopping them. We hypothesize that higher-order control processes assess the behavioral context and choose the most appropriate mode. This computational architecture can explain heterogeneous results observed across many studies that have investigated the control of coordinated eye-hand movements and may also serve as a general framework to understand the control of complex multi-effector movements.

There was a question on “how lanthanides doping in iron oxide affects cure kinetics of epoxy-based nanocomposites?” To answer, we synthesized samarium (Sm)-doped Fe3O4 nanoparticles via electrochemical method and characterized it using FTIR, XRD, FE-SEM, EDX, TEM, and XPS analyses. The magnetic particles were uniformly dispersed in epoxy resin to increase the curability of the epoxy/amine system. The effect of the lanthanide dopant on the curing reaction of epoxy with amine was explored by modeling DSC experimental data based on model-free methodology. It was found that Sm3+ in the structure of Fe3O4 crystal participates in cross-linking of epoxy by catalyzing the reaction between epoxide rings and amine groups of curing agents. In addition, the etherification reaction of active OH groups on the surface of nanoparticles reacts with epoxy rings which prolongs the reaction time at the late stage of reaction where diffusion is the dominant mechanism.

Transcriptional regulations have been widely studied as one of the main bridges between biology and other basic sciences as well as medicine. The traffic across it has been mostly unidirectional: chemistry and physics provided a lot of tools for biology, although the supply is now saturating. The traffic in opposite direction, the supply of subjects to develop chemistry and physics, has been only a little. However, if there are any, the supply will be at least from transcription, because the notion of chemical reaction is the strongest. This topic is aimed to increase the opposite traffic by introducing the forefront of physicochemical studies of transcription.

With the aim of profitable conversion of carbon dioxide (CO2) in an efficient, economical and sustainable manner, we developed a CuBr/ionic liquid (1-butyl-3-methylimidazolium acetate) catalytic system which could efficiently catalyze the three-component reactions of propargylic alcohols, 2-aminoethanols, and CO2 to produce 2-oxazolidinones and α-hydroxy ketones. Remarkably, this catalytic system employed lower metal loading (0.0125-0.5 mol%) but exhibited the highest turnover number (2960) ever reported, demonstrating its excellent activity and sustainability. Moreover, our catalytic system could efficiently work under 1 atm of CO2 pressure and recycle among the metal-catalyzed systems.

Background: Coronavirus disease (COVID-19) is an infectious disease caused by the SARS-CoV-2. In Colombia, many commercial methods are now available to perform the RT-qPCR assays, and the laboratories must evaluate its diagnostic accuracy to ensure reliable results to suspected COVID-19 patients. The purpose of the study was to compare four commercial RT-qPCR assays for detection of SARS-CoV2 virus, from nasopharyngeal swab samples referred to Laboratorio Carvajal IPS, SAS of Tunja, Boyacá - Colombia. Methods: This prospective study was conducted on 152 samples of respiratory tract samples (Nasopharyngeal Swab) from patients with suspected SARS-CoV-2 infection. Diagnostic accuracy of GeneFinderTM COVID-19 Plus RealAmp (In Vitro diagnostic), One-Step Real-Time RT-PCR (Vitro Master diagnostica), Berlin modified protocol and gold standard Berlin protocol (Berlin Charite Probe One-Step RT-qPCR Kit, New England Biolabs) as reference was assessed. Operational characteristics were estimated in terms of sensitivity, specificity, agreement, and predictive values. Results: Using Berlin Charite Probe One-Step RT-qPCR Kit as reference, the sensitivity/specificity for the diagnostic tests were found to be GeneFinderTM COVID-19 Plus RealAmp Kit 100%/92.7%, One-Step Real-Time RT-PCR, One-Step Real-Time RT-PCR 92.75%/67.47%, and Berlin modified protocol 100%/96.39%. The results of four commercially available methods were found to be consistent with those obtained from Berlin Modified protocol analysis for % of the samples and showed good agreement (κ= 0.96). Concordant SARS-CoV2 negative and positive RT-qPCR results were reported for xxx and xxx samples, respectively. Summarize something about the Ct. Conclusion: Our data demonstrate that all commercially available methods are rapid and reliable for the identification of SARS-CoV-2 virus associated with COVID-19. One-Step RT-qPCR Kit and GeneFinderTM COVID-19 Plus RealAmp assay show optimal sensitivity compared with Belin modified protocol. In addition, there is no significant correlation between xxxxx

Quantitative polymerase chain reaction (qPCR) has emerged as an important bioanalytical method for assessing the pharmacokinetics of human cell-based medicinal products after xenotransplantation into immunodeficient mice. A particular challenge in bioanalytical qPCR studies is that the different tissues of the host organism can affect amplification efficiency and amplicon detection to varying degrees, and ignoring these matrix effects can easily cause a significant underestimation of the true number of target cells in a sample. Here we describe the development and drug regulatory-compliant validation of a TaqMan® qPCR assay for quantification of mesenchymal stromal cells in the range of 125 to 20,000 cells/200 µl lysate by amplification of a human-specific, highly repetitive αsatellite DNA sequence of the chromosome 17 centromere region HSSATA17. Assessment of matrix effects in 14 different mouse tissues and blood revealed a wide range of spike recovery rates across the different tissue types from 11 to 174%. Based on these observations, we propose to perform systematic spike-and-recovery experiments during assay validation and to correct for the effects of the different tissue matrices on cell quantification in subsequent bioanalytical studies by multiplying the back-calculated cell number by tissue-specific factors derived from the inverse of the validated percent recovery rate.

Cisplatin (CDDP) is a platinum-based drug effective against various cancers, including lung, bladder, prostate, ovarian, esophageal, stomach, and cervical cancer and malignant lymphoma. It plays a central role as the first choice in current anticancer therapy. However, CDDP causes serious side effects, such as neurological disorders, myelosuppression, and renal damage, because it is a small molecule indiscriminately distributed in normal tissues. Therefore, it is very important to prevent or attenuate CDDP toxicity. We hypothesized that liposomalization of CDDP could alleviate serious side effects. Therefore, this study aimed to evaluate the safety and efficacy of CDDP liposomes. A patient with multiple recurrent liver metastases from metastatic nasal carcinoma was administered CDDP liposomes with consent. Magnetic resonance imaging showed that the patient remained stable-diseased; however, no apparent side effects were observed, and blood draw data showed no worsening of renal function. Patients undergoing partial pancreatectomy and jejunoileal biliary anastomosis for biliary tract cancer who consented to receive CDDP liposomes demonstrated a partial response on angiographic computed tomography; however, they showed slight fatigue. To our knowledge, the present study is the first in Japan to suggest that liposomalization of CDDP may have anticancer effects while alleviating renal damage and bone marrow suppression.

We search for limit cycles in the dynamical model of two-species chemical reactions that contain seven reaction rate coefficients as parameters and at least one third-order reaction step, that is, the induced kinetic differential equation of the reaction is a planar cubic differential system. Symbolic calculations were carried out using the Mathematica (or, Wolfram language) mathematical program package, and it was also used for the numerical verifications to show the following facts: the kinetic differential equations of these reactions each has two limit cycles surrounding the stationary point of focus type in the positive quadrant. In the case of Model 1, the outer limit cycle is stable and the inner one is unstable that appears in a supercritical Hopf bifurcation. Moreover, the oscillations in a neighborhood of the outer limit cycle are slow-fast oscillations. In the case of Model 2, the outer limit cycle is unstable and the inner one is stable. With another set of parameters, the outer limit cycle can be made stable and the inner one unstable.

Background: Every year, millions of people are hospitalized, and thousands die from influenza A virus (FLUAV) infection. Most cases of hospitalizations and death occur among elderly. Many of these elderly patients are reliant on medical treatment of underlying chronic diseases, such as arthritis, diabetes, and hypertension. We hypothesized that the commonly prescribed medicines for treatment of underlying chronic diseases can affect host responses to FLUAV infection, and thus contribute to morbidity and mortality associated with influenza. Therefore, the aim of this study was to examine whether commonly prescribed medicines could affect host responses to virus infection in vitro. Methods: We first identified 45 active compounds of medicines commonly prescribed in Central Norway. Then we constructed a drug-target interaction network and identified potential implication of these interactions for FLUAV-host cell interplay. Finally, we tested the effect of 45 drugs on viability, transcription and metabolism of mock- and A/WSN/33(H1N1)-infected human retinal pigment epithelial (RPE) cells. Results: In silico drug-target interaction analysis revealed that many drugs, such as acetylsalicylic acid, atorvastatin, candesartan, and hydroxocobalam, could target and modulate FLUAV-host cell interaction. In vitro experiments showed that these and other compounds at non-cytotoxic concentrations differently affected transcription and metabolism of mock- and FLUAV-infected cells. Conclusion: Many commonly prescribed drugs modulate FLUAV-host cell interactions in vitro and therefore could affect their interplay in vivo, thus, contributing to morbidity and mortality of patients with influenza virus infections.

Compared with precious metal catalysts, non-platinum catalysts have the advantages of low cost and high performance. Among them, the activated carbon (AC) with a large specific surface area (SSA) can be used as a carrier or as a carbon source of nonprecious metal/carbon system catalyst at the same time. Therefore, this paper uses cheap pine peel bio-based materials to prepare large surface area activated carbon and then compound with cobalt phthalocyanine (CoPc) to obtain a high-performance cobalt/nitrogen/carbon catalyst. The merits include AC@CoPc composite catalysts are prepared by precisely controlling the composite proportion of AC and CoPc, the atomically dispersed Co nanoparticles form and synergistically with N promote the exposure of CoNx active sites, and the Eonset of the catalyst treated with a composite proportion of AC and CoPc of 1 to 2 at 800 °C (AC@CoPc-800-1-2) is 1.01 V, which is higher than Pt/C (20 wt%) catalyst. Apart from this, the stability is 87.8% in 0.1 M KOH after 20000 s testing in compared with other AC@CoPc series catalysts and Pt/C (20 wt%) catalyst. Considering from the performance and price of the catalyst in practical application, these composite catalysts combine biomass carbon materials with phthalocyanine series, which will be widely used in the area of nonprecious metal catalysts.

Leaf mechanical wounding triggers a rapid, within minutes, release of a blend of volatile organic compounds (VOCs). Wounding-induced VOC blend is mainly composed of oxygenated ubiquitous stress volatiles such as methanol and volatile products of lipoxygenase (LOX) pathway (mainly C5 and C6 alcohols and aldehydes and their derivatives), but also includes multiple minor VOCs that collectively act as infochemicals inducing defences in non-damaged plant leaves, neighbouring plants and attracting herbivore enemies. Till present, interspecific variability of the rate of induction and magnitude of wounding-induced emissions, and the extent to which plant structural traits and physiological activity alter these emissions are poorly known. Particularly scarce is the information of the induced emissions in tropical agricultural plant species despite their economic importance and large area of cultivation at regional to global scales. We chose five tropical crops with varying photosynthetic activity and leaf structural characteristics: Abelmoschus esculentus, Amaranthus cruentus, Amaranthus hybridus, Solanum aethiopicum and Telfairia occidentalis to characterize the kinetics and magnitude of wounding-induced emissions, hypothesizing that the induced emission response is greater and faster in physiologically more active species with greater photosynthetic activity than in less active species. Rapid highly repeatable leaf wounds (12-mm cuts) were generated by a within-leaf-chamber cutting knife. Wounding-induced VOC emissions were measured continuously with a proton-transfer reaction time-of-flight mass spectrometer and gas-chromatography mass spectrometry was used to separate isomers. Twenty-three ion VOCs and twelve terpenoid molecule structures were identified, whereas ubiquitous stress volatiles methanol (on average 40% of total emissions), hexenal (24%), and acetaldehyde (11%) were the main compounds across the species. Emissions of low-weight oxygenated compounds (LOC, 70% of total), and LOX products (29%) were positively correlated across species, but minor VOC components, monoterpenoids and benzenoids were negatively correlated with LOC and LOX, indicating a reverse relationship between signal specificity and strength. There was a large interspecific variability in the rate of induction and emission magnitude, but the hypothesis of a stronger emission response in physiologically more active species was only partly supported. In addition, the overall emission levels were somewhat lower with different emission blend compared to the data reported for wild species, as well as different shares for the VOCs in the blend. The study demonstrates that wounding-dependent emissions from tropical agricultural crops can significantly contribute to atmospheric volatiles, and these emissions cannot be predicted based on current evidence of wild plant model systems.

Recently, electrocatalysts for oxygen reduction reactions (ORRs) as well as oxygen evolution reactions (OERs) hinged on electrospun nanofiber composites have attracted wide research attention. Transition metal elements and heteroatomic doping are important methods used to enhance their catalytic performances. Lately, the construction of electrocatalysts based on metal-organic framework (MOF) electrospun nanofibers has become a research hotspot. In this work, bimetallic NixCoy-ZIF nanocrystals were synthesized in an aqueous solution, followed by NixCoy-ZIF/PAN electrospun nanofiber precursors, which were prepared by a simple electrospinning method. Bimetal (Ni-Co) porous carbon nanofiber catalysts doped with nitrogen, oxygen, and sulfur elements were obtained at high-temperature carbonization treatment in different atmospheres (Ar, Air, and H2S), respectively. The morphological properties, structures, and composition were characterized by SEM, TEM, SAED, XRD, and XPS. Also, the specific surface area of materials and their pore size distribution was characterized by BET. Linear sweep voltammetry curves investigated catalyst performances towards oxygen reduction and evolution reactions. Importantly, Ni1Co2-ZIFs/PAN-Ar yielded the best ORR activity, whereas Ni1Co1-ZIFs/PAN-Air exhibited the best OER performance. This work provides significant guidance for the preparation and characterization of multi-doped porous carbon nanofibers carbonized in different atmospheres.

As the global energy crisis continues, efficient hydrogen production is one of the hottest topics these days. In this sense, establishing catalytic trends for hydrogen production is essential for choosing proper H2 generation technology and catalytic material. Volcano plots for hydrogen evolution in acidic media are well-known, while volcano plot in alkaline media was constructed ten years ago using theoretically calculated hydrogen binding energies. Here we show for the first time that the volcano-type relationships are largely maintained in a wide range of pH values, from acidic to neutral and alkaline solutions, using theoretically calculated hydrogen binding energies on clean metallic surfaces and experimentally measured hydrogen evolution overpotentials. If metallic surfaces are exposed to high anodic potentials, hydrogen evolution can be boosted or significantly impeded, depending on the metal and the electrolyte in which the reaction occurs. Such effects are discussed here and can be used to properly tailor catalytic materials for hydrogen production via different water electrolysis technologies.

It is at the chemistry-biology interface that this work that we have carried out takes place. Indeed, the expected goal is to develop simple molecules, capable of activating the catalytic action of certain metalloenzymes such as tyrosinase. The official name of an enzyme includes the type of reaction catalyzed, the name of the substrates involved. In this work, we carried out the study of the catalytic activity of the complexes of organotin carboxylates synthesized vis-à-vis the oxidation of 3,5-di-tert-butylcatecchol. The results obtained show that the various complexes exhibit good catalytic activity for the oxidation of 3,5-di-tert-butylcatecchol under mild conditions. The complexes that showed good catalytic activity are the compounds C1 and C2.

The construction of carbon-carbon bonds by direct involvement of two unactivated carbon-hydrogen bonds, without any directing group, ensures an high atom economy of the entire process. Here it is described a simple protocol for the Pd(II)/Cu(II)-promoted intermolecular cross-dehydrogenative coupling (CDC) of 5-arylimidazoles, benzimidazoles, benzoxazole and 4,5-diphenylimidazole at their C-2 position with functionalized styrenes. This specific CDC, known as Fujiwara-Moritani reaction or oxidative Heck coupling, allowed also the C-4 alkenylation of the imidazole nucleus when both 2 and 5 positions are occupied.

Background: Disentangling adverse drug reactions from confounders remains a major challenge to assess causality and severity in neonates. Vancomycin and amikacin are perceived as nephrotoxic and often prescribed in neonates. We selected these compounds to assess their impact on creatinine dynamics as sensitive tool to detect a renal impairment signal. Methods: A recently developed dynamical model that characterized serum creatinine concentrations of 217 ELBW neonates (4036 serum creatinine observations) was enhanced with data on individual administration of vancomycin and/or amikacin to identify a potential effect of antibiotic exposure by nonlinear mixed-effects modelling analysis. Results: Of our ELBW patients, 77% were exposed to either vancomycin or amikacin. Antibiotic exposure resulted in transient lower overall creatinine clearance and a modest increase in serum creatinine. Dependency on gestational age was observed in the difference in serum creatinine when exposed to antibiotics during the third week after birth (difference in creatinine for a neonate at 24 weeks gestation decreased with 56% for a 32-week-old neonate). Conclusions: A previously described model on creatinine dynamics was used to explore and quantify the impact amikacin or vancomycin exposure on creatinine dynamics. Such tools can be used to explore minor changes, or compare minor differences between treatment modalities.

Metal-organic frameworks (MOFs) are investigated for the oxygen evolution reaction (OER) due to their structure diversity, high specific surface area, adjustable pore size and abundant active sites. However, the poor conductivity of most MOFs restricts this application. Herein, through a facile one-step solvothermal method, the Ni-based pillared metal-organic framework [Ni2(BDC)2DABCO] (BDC = 1,4-benzenedicarboxylate, DABCO = 1,4-diazabicyclo[2.2.2]octane), its bimetallic nickel-iron form [Ni(Fe)(BDC)2DABCO] and their modified Ketjenblack (mKB) composites were synthesized and tested towards OER in an alkaline medium (KOH 1 mol L–1). A synergistic effect of the bimetallic nickel-iron MOF and the conductive mKB additive enhance the catalytic activity of the MOF/mKB composites. All MOF/mKB composite samples (7, 14, 22, 34 wt.% mKB) indicated much higher OER performances than the MOFs and mKB alone. The Ni-MOF/mKB14 composite (14 wt. % of mKB) demonstrated an overpotential of 294 mV at a current density of 10 mA cm–2 and Tafel slope of 32 mV dec–1, which is comparable with commercial RuO2 commonly used as a benchmark material for OER. The catalytic performance of Ni(Fe)MOF/mKB14 (0.57 wt% Fe) was improved further to an overpotential of 279 mV at a current density of 10 mA cm–2. The low Tafel slope of 25 mV dec–1 as well as a low reaction resistance due to electrochemical impedance spectroscopy (EIS) measurement confirm the excellent OER performance of the Ni(Fe)MOF/mKB14 composite. For practical applications, the Ni(Fe)MOF/mKB14 electrocatalyst was impregnated into commercial nickel foam (NF), where overpotentials of 247 and 291 mV at current densities of 10 and 50 mA cm–2, respectively, were realized. The activity was maintained for 30 h at the applied current density of 50 mA cm–2. The electrocatalytic system consisting of earth-abundant Ni and Fe metals only would be attractive for the development of efficient, practical and economical energy conversion materials for efficient OER activity.

The known three-component reaction-diffusion system modeling competition and co-existence of different language speakers is under study. A modification of this system is proposed, which is examined by Lie symmetry method; furthermore exact solutions in the form of traveling fronts are constructed and their properties are identified. Plots of the traveling fronts are presented and the relevant interpretation describing the language shift occurred in Ukraine during the Soviet times is suggested

The requirements for efficient replacement of fossil fuel, combined with the growing energy crisis, put hydrogen production into focus. Efficient and cost-effective electrocatalysts are needed for H2 production, and novel strategies for their discovery must be developed. Here we utilized Kinetic Monte Carlo (KMC) simulations to demonstrate that hydrogen evolution reaction (HER) can be boosted via hydrogen spillover to the support when the catalyst surface is largely covered by adsorbed hydrogen under operating conditions. Based on the insights from KMC, we synthesized a series of reduced graphene oxide-supported catalysts and compared their activities towards HER in alkaline media with that of corresponding pure metals. For Ag, Au, and Zn, the support effect is negative, but for Pt, Pd, Fe, Co, and Ni, the presence of the support enhances HER activity. The HER volcano, constructed using calculated hydrogen binding energies and measured HER activities, shows a positive shift of the strong binding branch. This work demonstrates the possibilities of metal|support interface engineering for producing effective HER catalysts and provides general guidelines for choosing novel catalyst-support combinations for electrocatalytic hydrogen production.

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.

In this paper, we analyze the convergence of a finite difference method with the implicit forward time central space (FTCS) scheme for solving the three-dimensional advection-diffusion-reaction equation (ADRE). It is proved that the method is unconditionally convergent. We apply the scheme to obtain numerical solutions for the transport of pollutants in street tunnel problems with various reaction coefficients and various rates of change of concentrations of sources or sinks of pollution.

In the present manuscript, we report new insights into the concept of (a)synchronicity in Diels-Alder (DA) reactions in the framework of the reaction force analysis, in conjunction with natural population calculations and atomic resolution of energy derivatives along the intrinsic reaction coordinate (IRC) path. Our findings suggest that the DA reaction transitions between a preferentially concerted mechanism to a stepwise one in a 0.10 Å window of synchronicity indices, ranging from 0.90 to 1.00 Å. We have also shown that the relative position of the global minimum of the reaction force constant with respect to the TS is an alternative and quantifiable indicator of the (a)synchronicity in DA reactions. Moreover, the atomic resolution of energy derivatives reveals that the mechanism of the DA reaction involves two inner elementary processes associated with the formation of each of the two C-C bonds. This resolution goes on to indicate that, in asynchronous reactions, the driving and retarding components of the reaction force are mostly due the fast and slow-forming C-C bonds (elementary process) respectively, while in synchronous ones both elementary processes retard and drive the process concomitantly and equivalently.

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.

Two-dimensional (2D) transition metal dichalcogenides (TMDCs) nanosheets have shown extensive applications due to their excellent physical and chemical properties. However, the low light absorption efficiency limits their application in optoelectronics. By rolling up 2D TMDCs nanosheets, the one-dimensional (1D) TMDCs nanoscrolls are formed with spiral tubular structure, tunable interlayer spacing and opening ends. Due to their increased thickness of scroll structure, the light absorption is enhanced. Meanwhile, the rapid electron transportation is confined along the 1D structure. Therefore, the TMDCs nanoscrolls show improved optoelectronic performance compared to 2D nanosheets. In addition, the high specific surface area and active edge site from bending strain of basal plane make them promising materials for catalytic reaction. Thus, the TMDCs nanoscrolls have attracted intensive attention in recent years. In this review, the structure of TMDCs nanoscrolls is firstly demonstrated and followed by various preparation methods of the TMDCs nanoscrolls. Afterwards, the applications of TMDCs nanoscrolls in the fields of photodetection, hydrogen evolution reaction, and gas sensing are discussed.

This work presents a nonlinear model predictive control scheme that challenges overcoming the obstacles holding back over decades to develop affordable autonomous control and monitoring systems applied in the large-scale industry. Among the numerous proposals in the literature, most do not consider the significant fluctuation of kinetic parameters in the reduced mathematical model ADM2, widely used for control and monitoring purposes. The prevalent cause, on a basis, is the lack of information caused by some dynamics and parameters that cannot be measured in real-time by reliable sensors. In addition, to make matters worse, those systems inherently act with nonlinear nature and have a high sensitiveness to uncontrollable inputs and perturbations. Therefore, to prevent these drawbacks, this work proposes a new methodology that reconstructs the lack of information from the non-measurable dynamics, concentration of bacterias, and the kinetic parameters related to reaction rates. Simulations results demonstrate the effectiveness of the methodology compared with traditional industrial control schemes.

Controlling and understanding Cu-catalyzed homocoupling reaction is crucial to prompt the development of efficient Cu-catalyzed cross-coupling reactions. The presence of a coordinating base (hydroxide, methoxide) enables the B-to-Cu(II) transmetalation from aryl boronic acid to CuIICl2 in methanol, through formation of a mixed Cu-(μ-OH)-B intermediates. A second B-to-Cu transmetalation to form bis-aryl Cu(II) complexes is disfavored. Instead, organocopper(II) dimers undergo a coupled transmetalation-electron-transfer (TET) allowing the formation of a bis-organocopper(III) complexes readily promoting reductive elimination. Based on this mechanism some guidelines are suggested to control the undesired formation of homocoupling product in Cu-catalyzed cross-coupling reactions.

The influence of the type and amount of oxygen (O), nitrogen (N), and/or phosphorus (P) heteroatoms on the surface of carbon nanotube (CNT) on stability and catalytic activity in the oxygen reduction reaction (ORR) was investigated in alkaline media. It is shown that the functionalization of CNT leads to the growth of the electrochemically active surface and to an increase in the activity in ORR. At the same time, a decrease in stability is observed after the functionalization of CNT under accelerated corrosion testing in an alkaline media. These results are most significant on CNT after functionalization in HNO3 due to the formation of a large number of structural defects. However, the subsequent doping by N and / or P atoms provides a further activity increase and enhances the corrosion stability of CNT. Thus, as shown by the studies of characteristic parameters (SEAS, E1/2, corrosion stability), CNT doped with N and NP are a promising catalytic system that can be recommended for use as fuel cell cathodes. An important condition for effective doping is the synthesis of carboxyl and carbonyl oxygen containing group on the surface of CNT.

We hereby describe an efficient method for the preparation of a series of new 1-substituted 1,2,3-triazole-based acetaminophen derivatives through a clean, good-yielding, simple, and expeditious procedure based on the O-propargylation reaction of the acetaminophen (APAP) obtained from expired commercial tablets and the CuBr(PPh3)3-catalyzed Huisgen reaction be-tween O-propargylated APAP and diverse organoazides prepared from commercially available anilines as available starting reagents. An interesting nitric oxide-releasing 1,2,3-triazole hybrid of APAP was also obtained easily using the developed method. The structures of the designed hybrid compounds, which are expected to be pharmacologically active, were fully characterized by FT-IR, 1H- and 13C-NMR and are reported for the first time. According to the in-silico studies performed in this work and literature analysis, these hybrids are interesting models in search of new pharmacological nontoxic agents endowed with anti-inflammatory and anticancer properties.

In this work, the influence of catalyst reuse and reaction time on the yield and quality of organic liquid products (OLP) obtained in a cracking pilot plant at 450 °C and 1.0 atm has been systematically investigated. The distillation of OLP produced 04 (four) distilled fractions. The quality of the biofuels was certified by physical-chemical analysis, as well as FT-IR and GC-MS analysis. The experimental results showed the feasibility of applying the spent sodium carbonate twice in catalytic cracking of vegetable oils. The physical-chemical properties (density, viscosity, acid value, saponification value, and flash point) of OLP decrease as the reaction time increases. The distillation of OLP yields 62.35% (wt.), producing green-like gasoline, kerosene, and diesel fractions rich in hydrocarbons. Therefore, biofuels-like fractions produced by distillation of OLP have a great potential for replacing partially petroleum derived fuels.

The aggregate aftermath of persistent inflammation in patients with inflammatory bowel disease (IBD) places them at increased risk for the advancement to colitis-associated colorectal cancer (CACRC). CACRC is preceded by IBD, the highly heterogenous, pharmacologically incurable, pertinacious, reverting/worsening, and immune-mediated inflammatory pathologies of the colon and rectum. The molecular and immunological basis of CACRC is highly correlated with the length/duration and stringency/severity of colon inflammation predisposed by the exogenous/free hemoglobin alpha chain (HbαC) the byproduct of infiltrating immune cells, extravasated erythrocytes, and macrophage erythrophagocytosis. The exogenous free HbαC prompts oxygen-free radical-arbitrated DNA damage (DNAD) through increased cellular reactive oxygen species (ROS) exacerbated by decreased tissue antioxidant defenses. Mitigation of Fenton reaction via pharmaceutical therapy would attenuate the ROS, promote apoptosis, DNAD repair, and subsequent prevent the incidence of CACRC. Three pharmaceutical options that attenuate hemoglobin toxicity include haptoglobin, deferoxamine, and flavonoids (vitamins C/E). Haptoglobin’s clearance rare from plasma is inversely correlated with its size; the smaller the size, the faster the clearance. Thus, the administration of Hp1-1 may prove to be beneficial. Furthermore, deferoxamine’s hydrophilic structure limits its ability to cross cell membranes. Thus, it may be beneficial if administered intracellularly to avoid the higher plasma concentrations and longer incubation periods associated with extracellular administration. Finally, the effectiveness of flavonoids and natural herb antioxidants is associated with high reactivity of hydroxyl substituents. Multiple analyses are currently underway to assess the clinical context of CACRC and outline the molecular basis of HbαC-induced ROS pathogenesis by exposing colonocytes and/or colonoids to HbαC. These cells are then treated with haptoglobin, deferoxamine (DFO), and flavonoids in order to separate free HbαC and measure their impact on hydroxyl radical formation therapies. The molecular pathogenesis of sporadic colorectal cancer (SCRC) i.e., “inflammation-dysplasia-carcinoma” progression sequence is well described, but the immunopathogenesis of CACRC herein reviewed is broadly still in prodromal stage/phase to be validated and understood. Therefore this timely review outlines the molecular and immunological basis of disease pathogenesis and the pharmaceutical intervention as a protective measure for CACRC.

Starting from acid chlorides, alkynes, tryptamines, and acroyl chloride, 21 densely substituted tetrahydro-beta-carbolines are prepared in a four-component one-pot reaction. In this study, the aza-Michael addition step to generate intermediate enaminones is optimized in the presence of ytterbium triflate. Moreover, apart from acroyl chloride, all reactants can be deployed in almost equimolar ratios, which increases the atom economy of the sequence. For mechanistic rationali-zation, the concluding aza-anellation was investigated by DFT calculations on potential inter-mediates and corresponding activation energies, revealing that the aza-anellation rather pro-ceeds via ene-reaction than via electrocyclization.

Na⁺/H⁺ exchangers (NHEs) are known to be important regulators of pH in multiple intracellular compartments of eukaryotic cells. Sperm function is especially dependent on changes in pH and thus it has been postulated that NHEs play important roles in regulating the intracellular pH of these cells. For example, in order to achieve fertilization, mature sperm must maintain a basal pH in the male reproductive tract and then alkalize in response to specific signals in the female reproductive tract during the capacitation process. Eight NHE isoforms are expressed in mammalian testis/sperm: NHE1, NHE3, NHE5, NHE8, NHA1, NHA2, NHE10, and NHE11. These NHE isoforms are expressed at varying times during spermatogenesis and localize to different subcellular structures in developing and mature sperm where they contribute to multiple aspects of sperm physiology and male fertility including proper sperm development/morphogenesis, motility, capacitation, and the acrosome reaction. Previous work has provided evidence for NHE3, NHE8, NHA1, NHA2, and NHE10 being critical for male fertility in mice and NHE10 has recently been shown to be essential for male fertility in humans. In this article we review what is known about each NHE isoform expressed in mammalian sperm and discuss the physiological significance of each NHE isoform with respect to male fertility.

Perhaps the greatest challenge in the graft copolymerization of acrylic acid onto starch initiated by Fenton’s is the selectivity of the grafting reaction. Low selectivity means that too much of unwanted homopolymer polyacrylic acid is produced. In this paper, it has been analyzed why with this reaction system, involving a water soluble monomer and indirect initiation, the graft selectivity is such a challenge. Several other grafting reactions, especially with monomers of low water solubility or when direct initiation is applied, show a better grafting performance. A scheme is presented based on reaction engineering principles, that supports an explanation of the observed differences. A more selective activation of starch is a factor, but perhaps even more important is a low monomer to starch ratio at the starting sites of graft reactions. Based on these insights, several methods to improve the graft selectivity are evaluated, with the help of literature data but mostly by experimental explorations in our laboratory. Most promising appears to be a dedicated dosage method, to add monomer in portions over time, tested in a batch reactor with gelatinized cassava starch. This way, both grafting percentage and graft selectivity could be improved. Such could not be realized with the more conventional dosage, which is to add all monomer before the start of the reaction. This can be considered a principal breaktrough. Still, more research and development would be needed to refine the method and to implement the idea also in a continuous reactor at larger scale.

In the first wave of COVID-19, up to 20% of patients had skin lesions with variable characteristics. There is no clear evidence of the involvement of the SARS-CoV-2 virus in all the cases; some of these lesions may be secondary to drug hypersensitivity. To analyze the possible cause of the skin lesions, we performed a complete allergology study on 11 patients. One year after recovery from COVID-19, we performed a lymphocyte transformation test (LTT) and Th1/Th2 cytokine secretion assays of PBMC. We included 5 nonallergic patients treated with the same drugs without lesions. Except for one patient who had an immediate reaction to azithromycin, all patients had a positive LTT to at least one of the drugs tested (azithromycin, clavulanic acid, hydroxychloroquine, lopinavir, and ritonavir). None of the nonallergic patients had a positive LTT. We found mixed Th1/Th2 cytokine secretion (IL-4, IL-5, IL-13, and IFN-γ) in patients with skin lesions corresponding to mixed drug hypersensitivity type IVa and IVb. In all cases, we identified a candidate drug as the culprit for skin lesions during SARS-CoV-2 infection, although only three patients had a positive drug challenge. Therefore, it would be reasonable to recommend avoiding the drug in question in all cases.

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 &lt; 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.

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.

Oxygen evolution reaction is a momentous part of electrochemical energy storage and conversion devices such as rechargeable metal-air batteries. It is particularly urgent to develop low-cost and efficient electrocatalysts for oxygen evolution reactions. As a potential substitute for noble metal electrocatalysts, transition metal selenides are still challenging in improving the activity of oxygen evolution reaction and the research of reaction intermediates. In this study, a simple one-step solvothermal method was used to prepare a polymetallic compound carbon matrix composite (Co9Se8/Ni3Se4/Fe3O4@C) with a multilayered nanosheets structure. It exhibited good OER activity in an alkaline electrolyte solution with an overpotential of 268 mV at 10 mA/cm2 in an alkaline medium. Besides, this catalyst also showed excellent performance in the 24 hours stability test. The composite presents a multi-layer sheet structure, which effectively improves the contact between the active site and the electrolyte. The selenide formed by Ni and Co has a synergistic effect, Fe3O4 and Co9Se8 form a heterojunction structure, which can effectively improve the reaction activity by initiating the electronic coupling effect through the interface modification. In addition, carbon quantum dots have rich heteroatoms and electron transferability, which improves the electrochemical properties of the composites. This work provides a new strategy for the preparation of highly efficient OER electrocatalysts utilizing the multimetal synergistic effect.

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 this paper, impulsive control on a single-species Markovian jumping ecosystem leads to a stability criterion, and the newly-obtained theorems improve the related existing results. Numerical examples illuminate the effectiveness.

In this paper, Akbari-Ganji's and Taylor series methods are applied to find analytical solutions to nonlinear differential equations that arise in an immobilized-cell photobioreactor. Approximate analytical expressions for substrate and product concentrations and both liquid and gas phases for various parameter values are derived using both methods. Efficiency, accuracy, and convergence of the two methods relative to highly accurate numerical methods are investigated to establish reliable profiles of these two methods for solving general nonlinear equations that model various physical phenomena. Numerical simulations are presented to validate the theoretical investigations.

Controlling the selectivity of detonation initiation reaction of explosive is a Holy Grail, and it seems to be an “idiot's daydream”, by strengthening external electric field, to reduce the explosive sensitivity. The effects of external electric fields on the initiation reactions in NH2NO2∙∙∙NH3, a model system of the nitroamine explosive with alkaline additive, were investigated at the MP2/6-311++G(2d,p) and CCSD/6-311++G(2d,p) level. The concerted effect in the intermolecular hydrogen exchange is characterized by an index of the imaginary vibrations. Due to the weakened concerted effects by the electric field along the −x-direction opposite to the “reaction axis”, the dominant reaction changes from the hydrogen exchange to 1,3-intramolecular hydrogen transference with the increase of the field strengths. Furthermore, the stronger the field strengths, the higher the barrier heights become, indicating the lower sensitivities. Therefore, by strengthening the field strength and adjusting the orientation between the field and “reaction axis”, not only can the reaction selectivity be controlled, but also the sensitivity can be reduced, in particular under a super-strong field. Thus, a traditional concept, which the explosive is dangerous under the super-strong external electric field, is broken theoretically. Compared to the neutral medium, the low sensitivity of the explosive with alkaline can be achieved under the stronger field. Employing atoms in molecules, reduced density gradient and surface electrostatic potentials, the origin of the reaction selectivity and sensitivity change is revealed. This work provides a new idea to the technical improvement for adding the external electric field into the explosive system.

The present study employed a modifed QuEChERS method to systematically analyze the presence of fifteen Quinolones and seven Tetracyclines antibiotic residues in local animal food. Additionally, a multi-level-four-factor Box-Behnken design (BBD) within the framework of Response surface methodology (RSM) was utilized to evaluate the various factors affecting the detection efficiency of the sample pretreament procedure. The optimization was performed by Design Expert®, the factors including volume of the acetonitrle, the addition of formic acid, the duration of extract and the addition of EDTA were combined to experiment design until reach an optimal solution. Finally, the sample test was conducted by ultra-high performance liquid chromatography-quadrupole-linear ion trap mass spectrometry in both multiple reaction monitoring (MRM) and enhanced product ion (EPI) scan modes on a QTRAP® 5500 instrument. The overall average recoveries from actual samples fortified with 22 antibiotics at three levels ranged from 74.7 to 122.6% based on the use of matrix-fortified calibration with the variation ranging from 2.1 to 18.2% (n=6). The limits of detection and quantification were 0.3 μg kg-1 and 1.0 μg kg-1, respectively.

The work presents a mathematical model of a thermogravimetric curve for the growth and simultaneous sublimation of scale on a metal or alloy surface. Reduction of the reaction area as a result of the formation of oxides of alloying elements (for obtaining the basic oxide) is considered for the alloy. For metals, the case where this area is increased as a result of powder metal crushing is also considered. The equations that were obtained are employed to explain the kinetic curves of the mass change of the samples.

Different inlet structures have a significant impact on the internal flow characteristics of a solid-magnesium powder water ramjet engine. Based on the magnesium-water reaction model, a computational fluid dynamics (CFD) method is applied to establish a numerical simulation method for the internal flow field of the engine, and the internal flow characteristics of the engine under different inlet structure conditions are studied. The simulation results show that high-temperature gas can effectively promote the ignition of magnesium powder at the top of the combustion chamber, while accelerating the evaporation of the first inlet water and increasing the combustion rate of magnesium powder. The secondary inlet has the most significant effect on the temperature inside the combustion chamber. When the secondary inlet flow rate increases towards the top of the combustion chamber, it increases the amount of heat absorbed by the evaporating water at the top of the chamber, thereby reducing the temperature at the top of the combustion chamber. However, when the flow rate is low, it results in insufficient oxidizer at the top of the combustion chamber, which is unfavorable for the combustion of magnesium powder.

Personal Mobility Vehicle (PMV) which has an inward tilting angle turns with the lateral force due to large camber angle, so it is necessary to consider the lateral movement of the tire vertical load axis during turning. Although the steering torque mechanism are very different from those of automobiles, there are not many examples which studied the steering torque mechanism of PMV. In this paper, based on the effects of six components force acting on the tires, a method for setting the steering axis specifications is derived, including the geometrical minimization of steering moment disturbance due to the vertical load reaction force during turning. Although, automobile tires have a significant ground camber angle when traveling on rutted roads, they do not have it on slant roads because the vehicle body tilts along the road surface. On the other hand, in PMV, the vehicle body always keeps upright when traveling both on slanted roads and on rutted roads. Therefore, the tires have ground camber angles on both types of road surface. We study the straight running ability under such road surface disturbances based on the geometrical minimization of steering moment disturbance due to the vertical load reaction force during turning. This straight running ability can be a remarkable strong point of PMV with an inward tilt mechanism.

Recent advancements in the study of the protein complex photosystem II have clarified the sequence of events leading to the formation of oxygen during the S3->S4->S0 tran-sition, wherein the inorganic Mn4Ca(µ-O)6(OHx)4 cluster finishes photo-catalyzing the water splitting reaction (Greife et al, Nature 2023, 617, 623-628; Bhowmick et al, Nature 2023, 617, 629-636) . During this final step a tyrosine radical (TyrZ), stable for a couple of milliseconds, oxidizes a cluster bound oxygen while the hydrogen bonding patterns of nearby waters shift a proton away. A treatment of this redox reaction within the context of accepted transition state theories predicts rate constants that are significantly higher than experimentally recovered values (10^12s^-1 versus 10^3s^-1). In an effort to understand this disparity, temperature dependent experiments have revealed large entropic con-tributions to the rates with only a moderate energy of activation. We suggest that the entropic source may be related to the observed proton rearrangements, and further possible near isoenergetic variations in the nearby extended h-bonding network de-laying the realization of an ‘ideal’ transition state. In the following we explore this re-lation in the context of Eyring’s transition state theory and Marcus’ electron transfer theory, and evaluate their compatibility with the experimental evidence.

(1)Aims of the study: calculating the underreporting ratio for two different medications, a fixed combination of 0.5% timolol + 0.2% brimonidine + 2.0% dorzolamide (antiglaucoma) and a fixed combination of sodium hyaluronate 0.1% + chondroitin sulfate 0.18% (artificial tear) and characterizing the features influencing the reporting of adverse drug reactions (ADRs) in spontaneous reporting; (2) Methods: the underreporting ratio was calculated by comparing the adverse drug reactions reported in the spontaneous reporting database for every 10,000 defined daily doses marketed and the adverse drug reactions from an active surveillance study for every 10,000 defined daily doses used for different drugs (antiglaucoma and artificial tear). The factors related to the report in spontaneous reporting through statistical tests were also determined; (3) Results: The underreporting ratio of spontaneous reporting was 0.006029% for antiglaucoma and 0.003552% for artificial tear; additionally, statistically significant differences were found for severity, unexpected adverse drug reactions, and incidence of adverse drug reactions in females; (4) Conclusions: The underreporting ratio of ADRs related to ophthalmic medications indicates worry since the cornerstone of pharmacovigilance focuses on spontaneous reporting. Besides, since underreporting seems to be selective, the role of certain aspects like gender, seriousness, severity, and unexpected ADRs, must be considered in future research.

Large volume bone defect regeneration is complex and demands time to complete. Several regeneration phases with unique characteristics including immune responses follow, overlap, and interdepend on each other and, if successful, lead to the regeneration of the organ bone's form and function. However, during traumatic, infectious, or neoplastic clinical cases, the intrinsic bone regeneration capacity may exceed, and surgical intervention is indicated. Scaffold-guided bone regeneration (SGBR) has recently shown efficacy in preclinical and clinical studies. To investigate different SGBR strategies over periods of up to 3 years we have established a well characterized large segmental tibial bone defect ovine model, for which we have developed and optimized immunohistochemistry (IHC) protocols. We present an overview of the immunohistochemical characterization of different experimental groups in which all ovine segmental defects were treated with a bone grafting technique combined with a three-dimensionally printed medical-grade polycaprolactone-tricalcium phosphate (mPCL-TCP) scaffold. The qualitative data set is based on osteoimmunological findings gained from IHC analyses of over &gt;350 sheep surgeries over the past two decades. Our systematic and standardized IHC protocols enabled us to gain further insight into the complex and long-drawn-out bone regeneration processes, which ultimately proved to be a critical element for successful translational research.

The perturbations of DNA methyltransferase 3 alpha (DNMT3A) may cause uncontrolled gene expression, resulting in cancers and tumors. The DNMT inhibitors Azacytidine (AZA) and Zebu-larine (ZEB) inhibit the DNMT family with no specificities and consequently would bring side effects during the treatment. Therefore, it is vital to understand their inhibitory mechanisms in DNMT3A to inform the new inhibitor design for DNMTs. Herein, we carried out molecular dynamics (MD) and quantum mechanics/molecular mechanics (QM/MM) simulations to investigate the inhibitory mechanisms of AZA and ZEB. The results were compared to the methyl transfer of cytosine. We showed AZA might stop the methyl transfer process, whereas the ZEB might be stuck in a me-thyl-transferred intermediate (IM3). Such IM3 state then fails the elimination due to the unique protein dynamics that result in missing the catalytic water chain. Our results brought atomic-level insights into the mechanisms of the two drugs in DNMT3A, which could benefit the new generation of drug design for the DNMTs.

This study involved the fabrication of a set of Aluminum ion-grafted SBA-15 utilizing ethylene-diamine and trimethylamine ionic liquids. The primary objective was to examine the impact of the fabrication environment on the physicochemical characteristics of the catalysts. Comprehensive characterization of the Al-SBA-15 catalysts was conducted using various techniques, including XRD, FTIR, surface area, pyridine FTIR, 27Al-NMR, TGA, HRTEM, and FESEM, to analyze their physicochemical characteristics. Furthermore, the acidic characteristics were examined by con-ducting potentiometric titration in a nonaqueous solvent and employing FTIR spectroscopy to an-alyze the chemisorbed pyridine. The effectiveness of the fabricated acid materials was evaluated by testing their performance in the acetic acid esterification with butanol. The findings obtained reveal that the mesostructured of SBA-15 remains intact following the successful inclusion of Al3+ ions into the silica frameworks. Additionally, a remarkable enhancement in the existence of both Bronsted and Lewis acid centers is noted due to the grafting process of Al3+ ions. At temperatures of 80°C and 100°C, the reaction in Al-SBA-15(T-120) proceeds swiftly, reaching approximately 32% and 38% conversion, respectively, within a span of 110 minutes. The excellent catalytic performance observed in the esterification reaction can be attributed to two factors: the homogeneous distribution of Al3+ ions within the SBA-15 frameworks and the acidic character of Al-SBA-15. The findings further indicate that the grafting process for incorporating Al3+ ions into the silica matrix is more efficient.

In this study, we created a series of N, S, and P-doped and co-doped carbon catalysts using a single graphene nanoribbon (GNR) matrix and thoroughly evaluated the impact of doping on ORR activity and selectivity in acidic, neutral, and alkaline conditions. The results obtained showed no significant changes in the GNR structure after the doping process, though changes were observed in the surface chemistry in view of the heteroatom insertion and oxygen depletion. Of all the dopants investigated, nitrogen (mainly in the form of pyrrolic-N and graphitic-N) was the most easily inserted and detected in the carbon matrix. The electrochemical analyses conducted showed that doping impacted the performance of the catalyst in ORR through changes in the chemical composition of the catalyst, as well as in the double-layer capacitance and electrochemically accessible surface area. In terms of selectivity, GNR doped with phosphorus and sulfur favored the 2e- ORR pathway, while nitrogen favored the 4e- ORR pathway. These findings can provide useful insights into the design of more efficient and versatile catalytic materials for ORR in different electrolyte solutions, based on functionalized carbon.

Biomimetic N-acetylcysteamine thioesters are essential for the study of polyketide synthases, non-ribosomal peptide synthetases and fatty acid synthases. The chemistry for their preparation is however limited by their specific functionalization and their susceptibility to undesired side reactions. This is especially detrimental to transition metal-catalyzed reactions. Here we report a method for the rapid preparation of N-acetylcysteamine (SNAC) 7-hydroxy-2-enethioates, which are suitable for the study of various enzymatic domains of megasynthase enzymes, particularly oxygen heterocycle-forming cyclase domains. The method is based on a one-pot sequence of hy-droboration and Suzuki-Miyaura reaction. Optimization of the reaction conditions made it possi-ble to suppress potential side reactions and to introduce the highly functionalized SNAC meth-acrylate unit in high yield. The versatility of the sequence was demonstrated on a dienal precur-sor, which was subjected to Brown crotylation followed by the hydroboration-Suzuki-Miyaura reaction sequence and deprotection, finally giving a complex polyketide SNAC thioester. Back-bone extension by six carbons and a terminal SNAC enethioate was achieved, introducing an E-configured double bond and two adjacent stereocenters in a highly selective manner. The pre-sented method allows for the synthesis of the target motif in significantly fewer steps and with higher overall yield than previously described approaches, while maintaining higher flexibility and control over the stereogenic elements. It is also the first reported example of a transition met-al-catalyzed cross-coupling reaction in the presence of an SNAC thioester.

This work presents a methodology that seeks to be a new standard in modeling identification in anaerobic digestion reactors. Because it is not possible to measure all variables with reliable and cost-efficient real-time methods, a specific structure composed of an asymptotic observer for the concentration of state variables; acidogenic and methanogenic bacterias, unlock the use of new types of raw sludges for industrial control and monitoring purposes. New yield parameters were included in the reduced anaerobic digestion model (ADM2) used as the core, precisely two terms in total alkalinity, to bring about the modeling of additional organic materials at inlet containing proteins or amino acids. The fermentation of these substances introduces ammonium, providing variations in the amount of alkalinity available inside the reaction. The new model is used to solve an optimization problem that calculates the parameters that best fit the dynamics of state variables with the same information taken on the experimental data. The adjustment process started with the genetic algorithm; however, to improve the performance, a novel method is proposed called step-ahead. Together, including the design of an asymptotic observer, numerical simulations demonstrate the strengths of the structure, which constitutes a significant step in paving the way further to implement feasible, cost-effective control and monitoring systems in the industry.

The present work is a numerical simulation of velocity and mixture fraction fields in a turbulent non-reaction Propane jet flow issuing into parallel co-flowing air, in isothermal condition which has been experimentally described here: http://www.sandia.gov/TNF/DataArch/ProJet.html. The objective is a better understanding of the flow structure and mixing process, a situation in which there is no chemical interaction and heat-transfer. The two-equation Realizable k-ε eddy viscosity turbulence model has been used to simulate the turbulent flow field on a 2D plane (i.e., on a 5-degree sector of the experimental domain), because Realizable k-ε more accurately predicts the spreading rate of both planar and round jets and presents the best proficiency in comparison with all versions of the k-ε models. Afterward, axial and radial profiles of mean velocities, turbulence energy, mean mixture fraction, the mixture fraction half radius (Lf), and the mass flux diagram have been numerically elicited for grid independent mesh (mesh B) and compared with corresponding experimental data to assess the numerical model. To obtain turbulence kinetic energy, k, due to lack of w' in the experimental data, the assumption of w'=v' seems to be valid. Simulations have demonstrated that mean mixture fraction (at radial profiles at locations x/D=0, 4, 15, 30 and 50) and its half radius, Lf, which characterizes jet width expanse, are prominently well-captured; Moreover, mean vertical velocity fields (in X-direction: Umean) have revealed less accuracy but still conspicuously well-captured. However, mean vertical velocity fields (in Y-direction: Vmean) have disclosed less resolution; Likewise, turbulence kinetic energy, k, have manifested moderate accuracy (between Umean and Vmean). It should be noticed that although numerical results for absolute pressure, p, have been obtained on aforementioned sections, there were no experimental data to compare with them. Thus, the corresponding numerical data has not been demonstrated in this study.

The design and fabrication of low-cost catalysts for highly efficient oxygen reduction is of paramount importance for various renewable energy-related technologies, such as fuel cells and metal-air batteries. Herein, we report the in situ growth of Fe3N nanoparticles encapsulated N-doped carbon nanotubes on the surface of flexible biomass-derived carbon cloth (Fe3N@CNTs/CC) via a simple one-step carbonization process. Taking advantage of its unique structure, Fe3N@CNTs/CC was employed as a self-standing electrocatalyst for oxygen reduction reaction (ORR) and possessed high activity as well as excellent long-term stability and methanol resistance in alkaline media. Remarkably, Fe3N@CNT/CC can directly play the role of both gas diffusion layer and electrocatalytic cathode in a zinc-air battery without additional means of catalyst loading, and display higher open circuit voltage, power density, and specific capacity in comparison with the commercial Pt/C catalyst. This work is anticipated to inspire the design of cost-effective, easy-preparation, and high-performance air electrodes for advanced electrochemical applications.

To realize the energy recovery of wheat straw, the pyrolysis behavior of wheat straw was studied at three heating rates (10, 20, and 30 K/min) based on thermogravimetric analysis (TG–DTG). Kinetics and thermodynamics were analyzed using Flynn–Wall–Ozawa (FWO) and Kissinger–Akahira–Sunose (KAS) model-free methods, and reaction mechanism was determined using Coats–Redfern (CR) model-fitting method. The results show that there are three weightlessness stages in the pyrolysis process, of which the second stage was the main weightlessness stage and two distinct peaks of weightlessness were observed in this stage. With increasing heating rate, the main pyrolytic weightlessness peaks of DTG curve shifts to higher temperature. The pyrolysis activation energy calculated by FWO and KAS methods are 165.17–440.02 kJ/mol and 163.72–452.07 kJ/mol, and the pre-exponential factor vary in the range of 2.58×1012–7.45×1036 s-1 and 1.91×1012–8.66×1037 s-1, respectively. The thermodynamic parameters indicates that wheat straw has the favorable conditions for product formation and containes potential energy to be utilized for bioenergy production, its pyrolysis reaction was non-spontaneous and the energy output is stable. CR method analysis shows that the A1/3 random nucleation model is the most suitable mechanism to characterize the pyrolysis process, and random nucleation may be in charge of the main pyrolysis stage. This study can provide a theoretical basis for the thermochemical conversion and utilization of wheat straw.

The host-guest inclusion strategy has potential to surpass the limitations of energy density and suboptimal performances of single explosives. The guest molecules can not only enhance the detonation performance of host explosives but can also enhance their stability. Therefore, the deeply analysis the role of guest influence on the pyrolysis decomposition of the host-guest explosive is necessary. The whole decomposition reaction stage of CL-20/H2O, CL-20/CO2, CL-20/N2O, CL-20/NH2OH was calculated by ReaxFF-MD. The incorporation of CO2, N2O and NH2OH significantly increase the energy levels of CL-20. However, different guest has little influence on the initial decomposition paths of CL-20. The Ea1 and Ea2 values of CL-20/CO2, CL-20/N2O, CL-20/NH2OH systems are higher than the CL-20/H2O system. Clearly, incorporation of CO2, N2O, NH2OH can inhibit the initial decomposition and intermediate decomposition stage of CL-20/H2O. Guest molecules get heavily involved in the reaction and influence on the reaction rate. k1 of CL-20/N2O and CL-20/NH2OH systems are significantly larger than that of CL-20/H2O at high temperatures. k1 of CL-20/CO2 system is much complex, which can be affected deeply by temperatures. k2 of CL-20/CO2, CL-20/N2O system is significantly smaller than that of CL-20/H2O at high temperatures. k2 of CL-20/NH2OH system is little difference at high temperatures. For the CL-20/CO2 system, the k3 value of CO2 is slight higher than that for CL-20/H2O, CL-20/N2O, CL-20/NH2OH systems, while the k3 values of N2 and H2O are slight smaller than that for CL-20/H2O, CL-20/N2O, CL-20/NH2OH systems. For the CL-20/N2O system, the k3 value of CO2 is slight smaller than that for CL-20/H2O, CL-20/CO2, CL-20/NH2OH systems. For the CL-20/NH2OH system, the k3 value of H2O is slight larger than that for CL-20/H2O, CL-20/CO2, CL-20/N2O systems. These mechanisms revealed that CO2, N2O and NH2OH molecules inhibit the early stages of the initial decomposition of CL-20, and play an important role for the decomposition subsequently.

To investigate the process and chemistry of reaction zone formation, we conducted detailed petrographic observations and major-trace element analysis of rocks and minerals of lherzolite xenoliths from basanites of Tumusun volcano (Baikal Rift Zone). The reaction zones gradually disappear from contact toward center of xenoliths. This indicates their formation as a result of lherzolite-basanite interaction. The influence of basanite melt on major-trace element composition of secondary minerals of reaction zones is notable only at distance up to 100-200 μm from the contact. The major-trace element composition of secondary clinopyroxenes from orthopyroxene reaction zone indicates their formation from a melt formed by dissolution of orthopyroxene and influenced by element diffusion from basanite melt. Inside xenoliths the secondary minerals have Mg# values equal to or higher than Mg# of primary minerals. The secondary clinopyroxenes inherit their depleted or enriched REE pattern from primary pyroxenes. The major-trace element variations in secondary clinopyroxenes testify melt heterogeneity. Secondary clinopyroxene has slightly higher LILE and similar abundances of other trace elements compared to unreacted part of clinopyroxene grain. This is consistent with model developed from experimental studies: due to the interaction with basanite, incongruent dissolution of orthopyroxene occurs to form a melt which circulates in lherzolite and leads to pyroxenes and spinel dissolution. Non-dissolved centers of minerals are homogenous and similar in major-trace element composition to primary minerals. The process of peridotite-basanite interaction is not isochemical: even the centers of large xenoliths become enriched in LILE.

The polymerase chain reaction (PCR) is a widely used technique in the biosciences and has become increasingly popular in recent years. One of the key elements of this technique is the use of a DNA polymerase that is heat-stable and retains fidelity during the process. To this end, archaeal Fam-ily-B DNA polymerases are preferred due to their high thermostability and fidelity. In particular, the DNA polymerase from Thermus aquaticus (Taq DNApol) is widely utilized in PCR procedures. In this work, a novel in-silico structure-based methodology was employed to examine the most heat-tolerant DNA polymerase available. In spite of this, Thermococcus kodakarensis and Geobacillus stearothermophilus DNApol are more stable and heat-tolerant DNApols due to their high number of intra-protein interactions. Variations in the content of polar amino acids also played a significant role in the increase in heat stability. A further factor contributing to the stability of proteins is the stabilization of helix in secondary structure through the use of charged amino acids. DNApol from these organisms has been shown to be suitable for use in PCR, as well as in other biological processes able to withstand high temperatures. In this study, it has been demonstrated that im-provements in PCR performance can be easily obtained by blending elements from closely related archaeal polymerases, a strategy that may, in the future, be extended to other archaeal polymer-ases. This approach allowed for a comprehensive analysis of the enzyme's thermal stability and fidelity, leading to an improved understanding of the polymerase's properties and potential ap-plications

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.

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.

Polymerase chain reaction (PCR) technique is one of the molecular methods in amplifying DNA for the detection of malaria. However, the limitations of PCR especially when used for routine clinical practice can hamper its sensitivity and specificity. With that, this study focuses on designing a microfluidic device that will mimic the function of a conventional genus-specific PCR based on 18S rRNA gene to detect malaria parasites (Plasmodium falciparum) at low grade parasitemia. The design was drawn and simulated using ANSYS 14.5 Computational Fluid Dynamics (CFD). The simulation shows that adding loops to the design increases its relative deviation but to a minimal extent as compared to having only a straight path design, which indicates that looping is acceptable in designing a microfluidic device to minimize chip length. Also, increasing the cross-sectional area of the fluid path decreases the efficiency of the design, thus, the design with a relatively smaller cross-sectional area is favored. And lastly, among the three materials utilized, the chip made of polypropylene is the most efficient with a relative deviation of 0.94 as compared to polycarbonate and polydimethylsiloxane which have relative deviations of 2.78 and 1.92, respectively.

To reduce environmental impacts from sodium silicate synthesis it was suggested the use of sugarcane bagasse ash (SCBA) as a source of silicon dioxide and sodium carbonate using the ceramic method. Although the production of sodium silicate is carried out on a large scale, it should be noted that its process requires temperatures above 1000 °C or the use of highly corrosive agents such as sodium hydroxide and chlorine gas used to neutralize the remaining sodium hydroxide. In the present work, the synthesis temperatures were reduced to 800 °C with a reaction time of 3 hours by pressing equimolar mixtures of previously purified SCBA and sodium carbonate, then heat treatment was carried out under the indicated conditions. The resulting materials were analyzed by Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD). Among the crystalline phases, calcium disodium silicate was identified, in addition to sodium silicate, so it was inferred that the other components of the ash can interfere with the synthesis of silicate. Therefore, to obtain the highest composition of sodium silicate, a leaching treatment of the SCBA is required.

The plastic deformation behavior of 3Y-TZP with weak electric current in oxygen-lean atmosphere was investigated. An electrochemical reduction reaction, induced by the electric current, can significantly promote the plastic deformation of 3Y-TZP at furnace temperature of 1200 °C and a strain rate of 6.67 × 10−4 s−1. Especially, a remarkable variation of the electrical property and grain growth were observed in 3Y-TZP during the deformation. The stress exponent ranging within 2~3 indicated that the deformation was dominated by grain boundary sliding. The applied electric current decreased the apparent activation energy Q of the deformation from 465 kJ mol-1 to 315 kJ mol-1, resulting in a transition of the diffusion mechanism from the lattice diffusion to the grain boundary diffusion. These phenomena were mainly attributed to the enhancement of the cation diffusion caused by the electrochemical reduction reaction, which induced by the electric current in oxygen-lean atmosphere.

The hydrogenation of CO2 is a reaction of key technological and environmental importance, as it contributes to the sustainable production of fuels while assisting in the reduction of a major greenhouse gas. The reaction has been studied extensively in the literature, with noble metal catalysts receiving significant attention within the catalysis and electrocatalysis communities. In this respect, the Electrochemical Promotion of Catalysis (EPOC) has been applied successfully to the CO2 hydrogenation reaction to improve the catalytic activity and selectivity of conductive films supported on solid electrolytes. However, designing an effective electrocatalytic reactor remains a challenge due to the connections required between the electrodes and the external potentiostat/galvanostat. This drawback could be alleviated if the catalytic reaction occurs in a reactor that simultaneously operates as a power generator. In this work, the Electrochemical Promotion of the CO2 hydrogenation reaction in a low temperature solid oxide fuel cell (SOFC) reactor is studied using yttria-stabilized zirconia (YSZ) and a platinum (Pt) catalyst. The system has been studied in two distinct operation modes: (i) when the necessary energy for the electrochemical promotion is produced through the parallel reaction of H2 oxidation (galvanic operation) and (ii) when a galvanostat/potentiostat is used to impose the necessary potential (electrolytic operation).

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.

The genetic diversity of coronavirus (CoV) is high, and its infection in animals has not yet been fully revealed. By RT-PCR detection of partial RNA dependent RNA polymerase (RdRp) gene of CoV, we screened a total of 502 small mammals belonging to 18 species in 12 genera and 4 orders collected in Dali and Nujiang Prefecture of Western Yunnan Province, China. The prevalence of β-CoV in Chevrieri's field mouse (Apodemus chevrieri) and Lancangjiang field mouse (A. ilex) were 3.54% (4/113) and 6.67% (6/90), respectively; the prevalence of α-CoV in White-footed Indochinese rat (Rattus nitidus) and long-tailed red-toothed shrew (Episoriculus leucops) was 75% (3/4) and 5.88% (1/17), respectively. The co-infection rates of β-CoV and α-CoV in Kachin red-backed vole (Eothenomys cachinus), Norway rat (R. norvegicus) were 2.22% (2/90), 3.85% (1/26) respectively. The identity of the partial RdRp genes obtained of 13 strains of β-CoV was 83.42%-99.23% at nucleotide level, and it is worth noting that the two strains from Kachin red-backed vole showed highly homology to BOV-36/IND/2015 from Indian bovine and DcCoV-HKU23 from one-humped camel (Camelus dromedarius) in Morocco, the nucleotide similarity between 97.86%-98.33%. Similarly, the identity of the 7 strains of α-CoV among the partial RdRp sequences was 94.00%-99.18% at nucleotide levels. The viral load in different tissues was measured by quantitative RT-PCR (qRT-PCR). The average CoV viral load in small mammalian intestinal tissue was 1.25×106copies/g, differently, the mean CoV viral load in liver, heart, lung, spleen and kidney tissue was from 1.29×103 to 4.02×103copies/g, which revealed that CoV has extensive tropism of intestinal tissue in small mammals (P &lt; 0.0001). This result revealed the genetic diversity, epidemiology, and infective tropism of α-CoV and β-CoV in small mammals from Dali and Nujiang, which deepens the comprehending of the retention and infection of coronavirus in natural hosts.

The poor conductivity and instability of layered dihydroxides (LDHs) limit their widespread application in oxygen evolution reaction (OER). In this study, the composite electrode of NiMn-LDHs, reduced graphene oxide (rGO) and nickel foam (NF), i.e., NiMn-LDHs/rGO/NF, was prepared by a hydrothermal method. When subjected to oxygen evolution reaction (OER) catalytic performance in a solution of 1 M KOH, the NiMn-LDHs/rGO/NF composite catalyst exhibited an overpotential of only 140 mV at a current density of 10 mA cm-2 and a Tafel slope of 49 mV dec-1, which is not only better than the comparing RuO2/NF catalyst, but also better than most of the Mn-based and the Ni–Fe containing bimetallic OER catalysts reported in the literature. The excellent electrocatalytic performance is ascribed to the efficient integration of ultrathin NiMn-LDHs sheets, thin-layered rGO and NF, contributing a lot to the decrease in charge transfer resistance and the increase in electrochemically active surface area. Moreover, NF plays a role of current collector and a role of rigid support for the NiMn-LDHs/rGO composite, contributing extra conductivity and stability to the NiMn-LDHs/rGO/NF composite electrode.