The aim of this work is to present a design approach of a Shock-Induced Combustion Ramjet (Shcramjet) inlet, and present its optimization in terms of the flow and geometrical parameters. The flow properties of mixed compression type inlet of a Shcramjet are examined using analytical and numerical techniques. The geometries obtained with variations in the wedge angles, length, height and cowl lip positions are used to study the flow characteristics of inlet, identifying bow shock temperature ratio as the optimization parameter. The two-dimensional geometries of two-shock and three-shock inlet models designed analytically for shock-on-lip condition at Mach 12.5 and an altitude of 32.5 km are numerically simulated in OpenFOAM CFD Toolbox. A density based compressible CFD solver based on central upwind schemes of Kurganov and Tadmore is used to solve 2D inviscid Euler equations. The inlet total pressure recovery is expressed as a function of temperature ratios of compression shocks, and is found to have a maxima at a bow shock temperature ratio at the design condition when the bow and external shocks have equal strengths. The effect of considering the flow to be calorically imperfect is studied numerically, and the deviation from the analytical design is presented.

Abstract: An efficient and environmentally Pumice as a new catalyst for designing of 3,4- dihydropyrimidin-2(1H) ones / thiones via one-pot multi component condensation of aromatic aldehydes, urea/ thiourea and ethyl acetoacetate or acetyl acetone in excellent yields (96-99 %). The advantages using of this new catalyst is very cheap, available, non-toxic, stable under thermal conditions, easy work-up, improved yields, the product of reaction is very pure without using chromatographic methods and solvent free conditions.

This paper reviews the current knowledge of pepper anthracnose in the Philippines. We present research outputs on pepper anthracnose from the last three years. Then, we present evidence of the widespread occurrence of C. acutatum sensu lato in the Philippines. Finally, we highlight some research prospects that would contribute towards developing an integrated anthracnose management program.

Synergistic effects between reactions, reagents and catalysts can lead to minor heats of reaction and occur as an inherent result of multi-component reactions (MCRs) and their extensions. They enable syntheses to be performed at a low energy level and the number of synthesis steps to be drastically reduced in comparison with ‘classical’ two-component reactions. The very high potential for variability, diversity and complexity of MCRs additionally generates an extremely diverse range of products, thus bringing us closer to the aim of being able to produce tailor-made and extremely low-priced materials, drugs and libraries.

In this paper we report a new development on the numerical model for aluminum-steam combustion. This model is based on diffusion flame of continuum regime and the thermal equilibrium between the particle and the flow field, which can be used to calculate the aluminum particle combustion model for two phase calculation conditions. The model prediction is in good agreement with the experimental data. A new type of vortex combustor was proposed for the combustion of aluminum and steam, and the mathematical model of the two phase reacting flow with in this combustor was established. The turbulence effects are modeled using the Reynolds Stress Model (RSM) with Linear Pressure-Strain approach, and the Eddy-Dissipation model is used to simulate the gas phase combustion. Aluminum particles are injected into the vortex combustor and form a swirling flow around the chamber and their trajectories are traced using the Discrete Phase Model (DPM). The simulation results show that the vortex combustor can achieve high efficient combustion of aluminum and steam. The influencing factors, such as the eccentric distance of the inlet of aluminum particles, particle size and steam inlet diameter, etc., are studied. The work described in this paper represents an attempt to the design of a vortex combustor in order to increase aluminum combustion efficiency.

Li₂TiO₃ nanopowders were synthesized by hydrothermal process using anatase TiO₂ and LiOH H₂O as raw materials. Li₂TiO₃ crystallizes in the layered monoclinic structure (space group C2/c) with average crystallite size of 34 nm. Morphology, elemental composition and local structure of products were carried out using HRTEM, FESEM, EDS, Raman and FTIR spectroscopy. Transport properties investigated by d.c. (4-probe measurements) and a.c. (complex impedance spectroscopy) show the activation energy of 0.71 and 0.65 eV, respectively. The ionic transport properties of Li⁺ ions in nanocrystalline Li₂TiO₃ characterized by cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) validate the good electrochemical properties of this anode material for lithium-ion batteries.

The Covid-19 has hit Italy in February 2020 after its outbreak in China at the beginning of January. But why Italy first among Western countries? What are the conditions that made Italy more vulnerable and the first target of such disease? What characteristics and what diffusion patterns could be highlighted and hypothesized, from the outbreak to the end of March 2020, after containment measures - including a national lock down – were introduced? In this paper we try to provide some answers to these questions, analyzing the issue from the medical, geographical and planning points of view. In particular, we started from a hypothesis of very similar economic, geographical, climatic and environmental conditions of the areas of Wuhan – in Hubei Province in China, the outbreak of the epidemics – and the Po Valley area – in Italy – where most cases and deaths were registered. Adopting an ecological approach, we compared the spatial distribution and pattern of Covid-19-related mortality in Italy with several geographical, environmental and socio-economic variables at Provincial level, analyzing them by means of spatial analytical techniques as LISA – Local Indicators of Spatial Association. Possible evidence relating Covid-19 cases and Nitrogen-related pollutants and land take arise, particularly in the Po Valley area.

Efficient oxygen evolution reaction (OER) electrocatalysts are highly desired in the field of water electrolysis and rechargeable metal-air batteries. In this study, a chelate polymer, composed of copper (II) and dithiooxamide, was used to derive an efficient catalytic system for OER. Upon potential sweep in 1M KOH, copper (II) centers of the chelate polymer were transformed to CuO and Cu(OH)2. The carbon-dispersed CuO nanostructures formed a nanocomposite which exhibits an enhanced catalytic activity for OER in alkaline media. The nanocomposite catalyst has overpotential of 280 mV (at 1 mA/cm2) and a Tafel slope of 81 mV/dec in 1M KOH solution. It has a seven-fold higher current than IrO2/C electrode, per metal loading. A catalytic cycle is proposed, in which, CuO undergoes electrooxidation to Cu2O3 that further decomposes to CuO with releasing oxygen. This work reveals a new method to produce an active nanocomposite catalyst for OER in alkaline media using a non-noble metal chelate polymer and a porous carbon. This method can be applied to the synthesis of transition metal oxide nanoparticles used in the preparation of composite electrodes for water electrolyzers and can be used to derive cathode materials for aqueous-type metal-air batteries.

Self-assembled structures mostly arises through enzyme-regulated phenomena in nature under persistent conditions. Enzymatic reactions are one of main biological processes in fabrication and construction of supramolecular hydrogel networks required for biomedical applications. The enzymatic processes provide a unique opportunity to integrate hydrogel formation. In most of cases, structure and substrates of hydrogels are adjusted by enzyme catalysis due to the chemo-, regio- and stereo-selectivity of enzymes. Hydrogels processed by using various enzyme schemes showed remarkable characteristics as dynamic frames for cells, bioactive molecules and drugs in biomedical applications. A novel class of enzyme-mediated crosslinking hydrogels mimics the extracellular matrices by displaying unique physicochemical properties and functionalities like water-retention capacity, drug loading ability, biodegradability, biocompatibility, biostability, bioactivity, optoelectronic properties, self-healing ability, shape memory ability. In recent years, many enzymatic systems investigated hydrogel cross-linking. Results of biocompatible hydrogel products show that these mechanisms of crosslinking can fulfill requirements for variety of biomedical applications including tissue engineering, wound healing and drug delivery.

The activity and cyclability of Cu-MOF-74 as catalyst was studied for the ligand-free C-O cross-coupling reaction of 4-nitrobenzaldehyde (NB) with phenol (Ph) to form 4-formyldiphenyl ether (FDE). Cu-MOF-74 is characterized by unsaturated copper sites in a highly porous metal-organic framework. The influence of solvent, reaction temperature, NB/Ph ratio, catalyst concentration and basic agent (type and concentration) were evaluated. High conversions were achieved at 120°C, 5 mol% of catalyst, NB/Ph ratio of 1:2, DMF as solvent and 1 equivalent of K2CO3 base. The activity of Cu-MOF-74 material was higher than other ligand-free copper catalytic systems tested in this study. This catalyst was easily separated and reused in five successive runs, achieving a remarkable performance without significant porous framework degradation. The leaching of copper species in the reaction medium was negligible. The O-arylation between NB and Ph took place only in the presence of Cu-MOF-74 material, being negligible without the solid catalyst.

In wireless sensor networks (WSNs), each sensor node can estimate the global parameter from the local data in distributed manner. This paper proposed a robust diffusion estimation algorithm based on minimum error entropy criterion with self-adjusting step-size, which are referred to as diffusion MEE-SAS (DMEE-SAS) algorithm. The DMEE-SAS algorithm has fast speed of convergence and is robust against non-Gaussian noise in the measurements. The detailed performance analysis of the DMEE-SAS algorithm is performed. By combining the DMEE-SAS with diffusion minimum error entropy (DMEE) algorithms, an Improving DMEE-SAS algorithm is proposed, in non-stationary environment where tracking is very important. The Improving DMEE-SAS algorithm can avoid insensitivity of the DMEE-SAS algorithm due to the small effective step-size near the optimal estimator, and obtain a fast convergence speed. Numerical simulations are given to verify the effectiveness and advantages of these proposed algorithms.

The separation of sister chromatids during anaphase is the culmination of mitosis and one of the most strikingly beautiful examples of cellular movement. It consists of two distinct processes: Anaphase A, the movement of chromosomes toward spindle poles via shortening of the connecting fibers, and anaphase B, separation of the two poles from one another via spindle elongation. I focus here on anaphase A chromosome-to-pole movement. The chapter begins by summarizing classical observations of chromosome movements, which support the current understanding of anaphase mechanisms. Live cell fluorescence microscopy studies showed that poleward chromosome movement is associated with disassembly, or ‘melting’ of the kinetochore-attached microtubule fibers that link chromosomes to poles. Microtubule-marking techniques established that kinetochore-fiber disassembly often occurs through a ‘pac-man’ mechanism, where tubulin subunits are lost from kinetochore-attached plus ends and the kinetochore appears to consume its microtubule track as it moves poleward. In addition, kinetochore-fiber disassembly in many cells occurs partly through ‘flux’, where the microtubules flow continuously toward the poles and tubulin subunits are lost from minus ends. Molecular mechanistic models for how load-bearing attachments are maintained to disassembling microtubule ends, and how the forces are generated to drive pac-man and flux-based movements, are discussed.

The purpose of this study was to evaluate the bioactivity and cell response of a well-characterized Nurse´s A-phase (7CaO•P2O5•2SiO2) ceramic and his effect compared to a control (tissue culture polystyrene-TCPS) on the adhesion, viability, proliferation and osteogenic differentiation of ahMSCs in vitro. Cell proliferation (Alamar Blue Assay), Alizarin Red-S (AR-s) staining, alkaline phosphatase (ALP) activity, osteocalcin (OCN) and collagen I (Col I) were evaluated. Also, field emission scanning electron microscopy (FESEM) images were acquired in order to visualise the cells and the topography of the material. The proliferation of cells growing in a direct contact with the material was slower at early stages of the study because of the new environmental conditions. However, the entire surface was colonized after 28 days of culture in growth medium (GM). Osteoblastic differentiation markers were significantly enhanced in cells growing on Nurse´s A phase ceramic and cultured with osteogenic medium (OM), probably due to the role of silica to stimulate the differentiation of ahMSCs. Moreover, calcium nodules were formed under the influence of ceramic material. Therefore, it is predicted that Nurse´s A-phase ceramic would present high biocompatibility and osteoinductive properties being a good candidate to be used as a biomaterial for bone tissue engineering.

We discuss the role of water bridging the DNA-enzyme interaction by resorting to recent 1 results showing that London dispersion forces between delocalized electrons of base pairs of DNA 2 are responsible for the formation of dipole modes that can be recognized by Taq polymerase. 3 We describe the dynamical origin of the high efficiency and precise targeting of Taq activity in 4 PCR. The spatiotemporal distribution of interaction couplings, frequencies, amplitudes, and phase 5 modulations comprise a pattern of fields instantiating the electromagnetic image of DNA in its 6 water environment, which is what the polymerase enzyme actually recognizes at long range. The 7 experimental realization of PCR amplification, achieved through replacement of the DNA template 8 by the treatment of pure water with electromagnetic signals recorded from viral and bacterial DNA 9 solutions, is found consistent with the gauge theory paradigm of quantum fields.

Alkali Silica Reaction (ASR) is known to be a serious problem for concrete worldwide, especially in high humidity and high temperature regions. ASR is a slow process that develops over years to decades and it is influenced by changes in environmental and loading conditions of the structure. The problem becomes even more complicated if one recognizes that other phenomena like creep and shrinkage are coupled with ASR. This results in synergistic mechanisms that can not be easily understood without a comprehensive computational model. In this paper, coupling between creep, shrinkage and ASR is modeled within the Lattice Discrete Particle Model (LDPM) framework. In order to achieve this, a multi-physics formulation is used to compute the evolution of temperature, humidity, cement hydration, and ASR in both space and time, which is then used within physics-based formulations of cracking, creep and shrinkage. The overall model is calibrated and validated on the basis of experimental data available in the literature. Results show that even during free expansions (zero macroscopic stress), a significant degree of coupling exists because ASR induced expansions are relaxed by meso-scale creep driven by self-equilibriated stresses at the meso-scale. This explains and highlights the importance of considering ASR and other time dependent aging and deterioration phenomena at an appropriate length scale in coupled modeling approaches.

Crosslinking of proteins for their irreversible immobilization on surfaces is a proven and popular method. However, many protocols lead to random orientation and the formation of undefined or even inactive by-products. Most concepts to obtain a more targeted conjugation or immobilization requires the recombinant modification of at least one binding partner, which is often impractical or prohibitively expensive. Here a novel method is presented, which is based on the chemical preactivation of Protein A or G with selected conventional crosslinkers. In a second step, the antibody is added, which is subsequently crosslinked in the Fc part. This leads to an oriented and covalent immobilization of the immunoglobulin with a very high yield. Protocols for Protein A and Protein G with murine and human IgG are presented. This method may be useful for the preparation of columns for affinity chromatography, immunoprecipitation, antibodies conjugated to magnetic particles, permanent and oriented immobilization of antibodies in biosensor systems, microarrays, microtitration plates or any other system, where the loss of antibodies needs to be avoided, and maximum binding capacity is desired. This method is directly applicable even to antibodies in crude cell culture supernatants, raw sera or protein-stabilized antibody preparations without any purification nor enrichment of the IgG. This new method delivered much higher signals as a traditional method and, hence, seems to be preferable in many applications.

This paper describes the development of a two-dimensional water quality model that solves hydrodynamic equations tied to transport equations with reactions mechanisms inherent in the processes. This enable us to perform an accurate assessment of the pollution in a coastal ecosystem. The model was developed with data drawn from the ecosystem found in Mexico's southeast state of Tabasco. The coastal ecosystem consists of the interaction of El Yucateco lagoon with the Chicozapote and Tonalá rivers, that connect the lagoon with the Gulf of Mexico. We present the results of pollutants transport simulation in the coastal ecosystem, focusing on toxic parameters for two hydrodynamic scenarios: wet and dry seasons. As it of interest in the zone, we study the transport of four metals: Cadmium, Chromium, Nickel and Lead. In order to address our objectives we solved numerically a self-posed mathematical problem,which is based on the measured data. The performed simulations show to characterise metal transport within the acceptable range of accuracy and in accordance with the measured data. The performed simulations show to characterise metals transport with an acceptable accuracy, agreeing well with measured data in total concentrations in four control points along the water body. Although for the accurate implementation of the hydrodynamic-based water quality model herein presented, boundary (geometry, tides, wind, etc.) and initial (concentrations measurements) conditions are required, it poses as an excellent option when the distribution of solutes with high accuracy is required, easing environmental, economic and social management of coastal ecosystems.

Tissue-like phantoms are widely used as a model for mimicking the optical properties of live tissue. This paper presents the results of a diffusion reflection method as well as fluorescence lifetime imaging microscopy measurements of fluorescein-conjugated gold nanorods in solution as well as inserted in solid tissue-imitating phantoms. A lack of consistency between the fluorescence lifetime results of the solutions and the phantoms raises a question about the ability of tissue-like phantoms to maintain the optical properties of inserted contrast agents.

The biophysical consequences of nanoscale curvature have been challenging to resolve due to size-dependent membrane behavior and the experimental resolution limits imposed by optical diffraction. Recent advances in nanoengineering and super-resolution techniques have enabled new capabilities for creating and observing curvature. In particular, draping supported lipid bilayers over lithographically patterned substrates provides a model system for endocytic pits. The experiments and simulations presented below describe the possible detection of membrane curvature through fluorescence recovery after photobleaching (FRAP), fluorescence correlation spectroscopy (FCS), single particle tracking (SPT), and polarized localization microscopy (PLM). FRAP and FCS depend on diffraction-limited illumination and detection. In particular, a simulation of FRAP shows no effects on lipids diffusion due to a 50 nm diameter membrane bud at any stage in the budding process. Simulated FCS demonstrated small effects due to a 50 nm radius membrane bud that was amplified with curvature-dependent lipid mobility changes. However, PLM and SPT achieve sub-diffraction-limited resolution of membrane budding and lipid mobility through the identification of the single-lipid positions with ≤15 nm spatial and ≤20 ms temporal resolution. By mapping the single-lipid step lengths to locations on the membrane, the effects of curvature on lipid behavior have been resolved.

Detailed information about graft material characteristic is crucial to evaluate their clinical outcomes. The present study evaluates the physicochemical characteristics of two xenografts manufactured on an industrial scale deproteinized at different temperatures (non-sintered and sintered) in accordance with a protocol previously used in sinus lift procedures. It compares how the physico-chemical properties influence the material performance in vivo with a histomorphometric study in retrieved bone biopsies following maxillary sinus augmentation, in 10 clinical cases. X-ray diffraction analysis revealed typical structure of hydroxyapatite for both materials. Both xenografts are porous and exhibit intraparticle pores. Strong differences were observed in terms of porosity, cristallinity, and calcium/phosphate. Histomorphometric measurements on the bone biopsies showed statistically significant differences. The physicochemical assessment of both xenografts in accordance with the protocol developed at industrial scale confirmed that these products present excelent biocompatibilitity, with characteristics similar to natural bone. The sintered HAs xenograft exhibit higher osteoconductivity although were not complete resorbable (30.80±0.88% residual material). On the other hand, the non-sintered HAs xerograft induced about 25.92±1.61% of new bone and almost complete degradation after 6 months implantation. Differences in physico-chemical characteristics found between the two HAs xenograft determine different behavior of this material.

Background: Early identification and prevention of hypoxic ischemic encephalopathy (HIE) may reduce neonatal mortality and morbidity. Objective: We aimed to correlate between urinary Activin-A and MRI (conventional and Diffusion-weighted) and the severity of HIE in full-term neonates. Methods: Forty-five full-term neonates with HIE admitted to NICU and 15 normal neonates were enrolled into the study. The concentration of urinary Activin-A was determined using enzyme immunoassay kits and MRI were done. Correlations between urinary Activin-A and MRI with the degree of HIE were done. Results: Urinary Activin-A levels were significantly higher in neonates with HIE than controls (P<0.001). It was positively correlated with the clinical grading of HIE and a cutoff value of 0.08µg/l on day-1 after birth had a sensitivity of 98.6% and specificity of 97.1% for prediction of HIE. DW-MRI detected HIE with a high sensitivity (85%) compared to the low sensitivity of conventional MRI (35%). An ADC value of ≤ 0.8 was the best sensitivity-specificity cutoff point for detecting severe ischemic injury. DW-MRI imaging was positively correlated with Urinary Activin-A and both of them were positively correlated with the clinical grades of HIE (P < 0.001). Conclusions: DW-MRI imaging is correlated well with urinary Activin-A in full-term neonates with HIE and both of them are correlated with the degree of HIE. Early determination of urinary Activin-A combined with DW-MRI imaging can early detect HIE and its severity in full-term neonates with HIE.

Compared to conventional allothermal gasification of solid fuels (e.g. biomass, charcoal, lignite etc.), plasma-assisted gasification offers an efficient method to apply energy into the gasification process to increase the flexibility of operation conditions and to increase the reaction kinetics. In particular, non-thermal plasmas (NTP) are promising, in which thermal equilibrium is not reached and electrons have substantially higher mean energy than gas molecules. Thus it is generally assumed that in NTP the supplied energy is utilized more efficiently for generating free radicals initiating gasification reactions than thermal plasma processes. In order to investigate this hypothesis, we compared purely thermal to non-thermal plasma assisted gasification of biomass in steam in a drop tube reactor at atmospheric pressure. The NTP was provided by means of gliding arcs between two electrodes aligned in the inlet steam flow. Electric power of about 1 kW was supplied using a high voltage generator operating at frequencies between 70 and 150 kHz and voltage amplitudes up to 10 kV. A laser-assisted optical method (Raman spectroscopy) was applied for measuring the gas temperature both in the conventionally heated steam and flow-down of the visible plasma filaments of the gliding arcs. Reaction yields and rates were evaluated using these measured gas temperatures. The first experimental results have shown that the non-thermal plasma not only promotes the carbon conversion of the fuel particles, but also accelerates the reaction kinetics. The carbon conversion is increased by nearly 10% using wood powder as the fuel. With charcoal powder more than 3% are converted into syngas.

In the last few decades, the dynamics of tumor cells and their growths are presented via clinical, experimental, and theoretical approaches, which leads to the development of the new idea of multiple cancer therapies to control and reduce the death rate for earlier detection. In this paper, we discussed the dynamics of tumor cell growth and its treatment process. We analyzed some simple mathematical models and generalized the study to understand the growth of tumor cells. The main proposed model is a system of ordinary differential equations which combines interactions among natural killer cells, dendritic cells and cytotoxic CD8+ T cells. The model is solved numerically to explain how the tumor cells spread and become more dangerous as well as the treatment process of cancer. It is also studied that how the cell behaves in the presence of different therapy and drugs. The optimal control of chemotherapy has been discussed. It has also been explained how much the model is effective in reducing tumor cells over time. Finally, a couple of spatially distributed models are discussed for tumor cell growth.

The purpose of the present study was to investigate the effects of psychological pressure on corticospinal excitability, the spinal reflex, lower limb muscular activity, and reaction times during a task involving dominant leg movements. Ten healthy participants performed a simple reaction time task by raising the heel of their dominant foot from a switch. After 20 practice trials, participants performed 20 non-pressure and 20 pressure trials in a counterbalanced order. Stress responses were successfully induced, as indexed by significant increases in state anxiety, mental effort, and heart rates under pressure. Significant increases in motor evoked potential (MEP) amplitude of the tibialis anterior muscle (TA) occurred under pressure. In terms of task-related EMG amplitude, the co-contraction rate between the soleus (SOL) and TA muscles significantly increased along with SOL and TA EMG amplitudes under pressure. Hoffmann reflexes for SOL and reaction times did not change under pressure. These results indicate that corticospinal excitability and leg muscle-related EMG activity increase homogeneously during lower limb movements that are performed under psychological pressure.

BACKGROUND: From March to April 2020, Spain was the center of the SARS-CoV-2 pandemic, particularly Madrid with approximately 30% of the cases in Spain. The aim of this study is to report the suspected serious adverse drug reactions (SADRs) in COVID-19 patients versus non-COVID-19 patients detected by the prospective pharmacovigilance program based on automatic laboratory signals (ALSs) in the hospital (PPLSH) during that period. We also compared the results with the suspected SADRs detected during the same period for 2019. METHODS: All ALSs that reflected potential SADRs (including neutropenia, pancytopenia, thrombocytopenia, anemia, eosinophilia, leukocytes in cerebrospinal fluid, hepatitis, pancreatitis, acute kidney injury, rhabdomyolysis and hyponatremia were prospectively monitored in hospitalized patients during the study periods. We analyzed the incidence and the distribution of causative drugs for the COVID-19 patients. RESULTS: The incidence rate of SADRs detected in the COVID-19 patients was 760.63 (95% CI 707.89–816.01) per 10,000 patients, 4.75-fold higher than the SADR rate for non-COVID-19 patients (160.15 per 10,000 patients,95% CI 137.09–186.80), and 5.84-fold higher than the SADR rate detected for the same period in 2019 (130.19 per 10,000 patients, 95% CI 109.53–154.36). The most frequently related drugs were tocilizumab (59.84%), dexketoprofen (13.93%), azithromycin (8.43%), lopinavir-ritonavir (7.35%), dexamethasone (7.62%), and chloroquine/hydroxychloroquine (6.91%). CONCLUSIONS: The incidence rate of SADRs detected by the PPSLH in patients with COVID-19 was 4.75-fold higher than that of the non-COVID-19 patients. Caution is recommended when using medications for COVID-19 patients, especially drugs that are hepatotoxic, myotoxic, and those that induce thromboembolic events.

Carbon supported nanoparticles of monometallic Ni catalyst and binary Ni-Transition Metal (Ni-TM/C) electrocatalytic composites were synthesized via chemical reduction method, where TM stands for the doping elements Fe, Co, and Cu. The chemical composition, structure and morphology of the Ni-TM/C materials were characterized by X-ray photoelectron spectroscopy (XPS), X-ray diffractometry (XRD), transmission electron microscopy (TEM), scanning transmission electron microscopy (STEM) and energy-dispersive X-ray spectroscopy (EDS). The electrochemical properties towards hydrogen oxidation reaction in alkaline medium were studied using the rotating disc electrode and cycling voltammetry methods. A significant role of the TM dopant in the promotion of the hydrogen electrooxidation kinetics of the binary Ni-TM/C materials were revealed. A record-high in exchange current density value of 0.060 mA cm²_Ni was measured for Ni₃Fe₁/C, whereas the monometallic Ni/C counterpart has only shown 0.039 mA cm²_Ni. In order to predict the feasibility of the electrocatalysts for hydrogen chemisorption, density functional theory was applied to calculate the hydrogen binding energy and hydroxide binding energy values for bare Ni and Ni₃TM₁.

In this work, we present some results related with the issue of the Loop Quantum Black Holes (LQBH) thermodynamics by the use of the tunneling radiation formalism. The information loss paradox is also discussed in this context, where we have considered the influence of back reaction effects.

In this paper, the nanoscale dissipative mechanisms of a Cu pad in a Ball Grid Array (BGA) packaging structure during isothermal ageing and uniaxial tension were investigated by the molecular dynamics (MD) method and experiments. From the result of the isothermal ageing test, a nonuniform consumption of Cu and large amount of Kirkendall voids were observed at the interface of Cu and Cu₃Sn. To study the effect of pressure and orientation on this phenomenon, MD simulations were conducted on four types of Cu-Cu₃Sn interface structures with different orientations of Cu. By comparing the diffusion coefficients of atoms in those cases, it was found that the tensile stress would inhibit the diffusion of atoms, whereas compressive stress would accelerate it, and this would be more significant under a larger magnitude of stress and temperature. Note that, in the model with the (101) surface Cu at the interface, both Cu and Cu₃Sn have a higher diffusion coefficient compared with the model with (001) surface Cu. Thus, the orientation of Cu will also contribute to the uniform consumption of the pad. Uniaxial tension simulation combined with DXA and CSP analyses on those models also shows the model with (001) surface Cu has a greater mechanical reliability in our simulations and related experiments.

In this paper, we first report that WO_x contained nanoalloys exhibit stable electrocatalytic performance in alkaline media, though bulk WO₃ are easy to be dissolved in NaOH solutions. Carbon supported oxide-rich Pd-W alloy nanoparticles (PdW/C) with different Pd:W atom ratios were prepared by reduction-oxidation method. Among the catalysts, the oxide-rich Pd0.8W0.2/C (Pd/W = 8:2, atom ratio) exhibits the highest catalytic activity for oxygen reduction reaction. The X-ray photoelectron spectroscopy data shows that ~40% of Pd atoms and ~60% of the W atoms are in their oxides form. The Pd 3d_5/2 peaks in oxide-rich Pd-W nanoalloys are positive shift compared with that of Pd/C, which indicates the electronic structure of Pd is affected by the strong interaction between Pd and W/WO₃. Compare to Pd/C, the onset potential of oxygen reduction reaction at the oxide-rich Pd_0.8W_0.2/C is positive shifted. The current density (mA·mg Pd⁻¹) at the oxide-rich Pd_0.8W_0.2/C is ~1.6 times of that at Pd/C. The oxide-rich Pd_0.8W_0.2/C also exhibits higher catalytic stability than Pd/C, which demonstrate that it is a prospective candidate for the cathode of fuel cells operated with alkaline electrolyte.

Inherent in every Active Magnetic Bearing (AMB) are differences between the expected geometric axes and the actual magnetic axes due to a combination of discrepancies, including physical variation from manufacturing tolerances and misalignment from mechanical assembly, fringing and leakage effects, as well as variations in magnetic material properties within a single AMB. A method is presented here for locating the magnetic axes of an AMB that will facilitate the accurate characterization of the bearing air gaps for potential improvement in field tuning, performance analyses and certain shaft force measurement techniques. This paper presents an extension of the application of the bias current perturbation method for the determination of the magnetic center [4] to the determination of magnetic axes for the further development of accurate current-based force measurement techniques [1].

The objective of this case report is to introduce a customized CAD/CAM freeze-dried bone allograft (FDBA) block for its use in Guided Bone Regeneration (GBR) procedures for severely deficient maxillary bones. Additionally, a special newly developed remote incision technique is presented to avoid wound dehiscence. The results show an optimal integration behaviour of the FDBA block after six months and the formation of new vital bone. Thus, the results of the present case report confirm the use of the customized CAD/CAM bone block for augmentation of complex defects in the maxillary aesthetic zone as a successful treatment concept.

We extended the usage of the expansion method based on Sine-Gordon equation to the two dimensional Fisher equation. The relation between the trigonometric and hyperbolic functions are derived from the Sine-Gordon equation dened in two space dimension. The complex-valued traveling wave solutions to the two dimensional Fisher and Nagumo equations are set in forms a nite series of multiplications of powers of sech(.) and tanh(.) functions.

The following article analyzes the determinants of e-government in 28 European countries between 2016 and 2021. The DESI-Digital Economy and Society Index database was used. The econometric analysis involved the use of the Panel Data with Fixed Effects and Panel Data with Variable Effects methods. The results show that the value of “e-Government” is negatively associated with “Fast BB (NGA) coverage”, “Female ICT specialists”, “e-Invoices”, “Big data” and positively associated with “Open Data”, “e-Government Users”, “ICT for environmental sustainability”, “Artificial intelligence”, “Cloud”, “SMEs with at least a basic level of digital intensity”, “ICT Specialists”, “At least 1 Gbps take-up”, “At least 100 Mbps fixed BB take-up”, “Fixed Very High Capacity Network (VHCN) coverage”. A cluster analysis was carried out below using the unsupervised k-Means algorithm optimized with the Silhouette coefficient with the identification of 4 clusters. Finally, a comparison was made between eight different machine learning algorithms using "augmented data". The most efficient algorithm in predicting the value of e-government both in the historical series and with augmented data is the ANN-Artificial Neural Network.

Water electrolysis provides efficient and cost-effective production of hydrogen from renewable energy. Currently, the oxidation half-cell reaction relies on noble-metal catalysts, impeding widespread application. In order to adopt water electrolyzers as the main hydrogen production systems, it is critical to develop inexpensive and earth-abundant catalysts. This review discusses the proton exchange membrane (PEM) water electrolysis (WE) and the progress in replacing the noble-metal catalysts with earth-abundant ones. Researchers within this field are aiming to improve the efficiency and stability of earth-abundant catalysts (EACs), as well as to discover new ones. The latter is particularly important for the oxygen evolution reaction (OER) under acidic media, where the only stable and efficient catalysts are noble-metal oxides, such as IrO_x and RuO_x. On the other hand, there is significant progress on EACs for the hydrogen evolution reaction (HER) in acidic conditions, but how many of these EACs have been used in PEM WEs and tested under realistic conditions? What is the current status on the development of EACs for the OER? These are the two main questions this review addresses.

A new synthetic approach to polyfunctional hexahydropyrrolo[3,4-b]pyrroles was developed based on cyclization of N-arylbromomaleimides with aminocrotonic acid esters. A highly chemo- and stereoselective reaction is a Hantzsch-type domino process, involving the steps of initial nucleophilic C-addition or substitution and subsequent intramolecular nucleophilic addition without recyclyzation of imide cycle.

In this paper, some new properties of the fundamental solution to the multi-dimensional space- and time-fractional diffusion-wave equation are deduced. We start with the Mellin-Barnes representation of the fundamental solution that was derived in the previous publications of the author. The Mellin-Barnes integral is used to get two new representations of the fundamental solution in form of the Mellin convolution of the special functions of the Wright type. Moreover, some new closed form formulas for particular cases of the fundamental solution are derived. In particular, we solve an open problem of representation of the fundamental solution to the two-dimensional neutral-fractional diffusion-wave equation in terms of the known special functions.

Complex and real valued exact solutions to some reaction-diffusion equations are suggested by using homogeneous balance and Sine-Gordon equation expansion method. The predicted solution of finite series of some hyperbolic functions are determined by using some relations between the hyperbolic functions and trigonometric functions based on Sine-Gordon equation and traveling wave transform. The Newel-Whitehead-Segel and Zeldovich equations are solved explicitly. Some real valued solutions are depicted for some particular choice of parameters.

The diffusion coefficients of ions are measured in a microchip filled with a cationic charged 3D hydrogel in order to study the effect of cationic charged 3D hydrogel on the diffusivity of ions. In this study, poly-diallyl-dimethyl-ammoniumchloride (poly-DADMAC) is used to produce a 3D hydrogel. Four different fluorophores are used in the 3D hydrogel rhodamine 6G, rhodamine-BSA, fluorescein isothio-cyanate (FITC) and FITC-BSA. The rhodamine 6G and rhodamine-BSA are positively charged (cations), while fluorescein isothio-cyanate (FITC) and FITC-BSA are negatively charged (anions). Two widely used techniques which are short time diffusivity measurement technique and long time diffusivity measurement techniques are used to measure the diffusion coefficients. For the short time measurement, Fluorescence recovery after photo-bleaching (FRAP) is used by a 3D confocal microscope. For the long time measurement, fluorescence images are taken for 11 days to observe a pure diffusivity without any convective movement. As a result, the diffusivity of the cations was found to be lower than that of the anions in the cationic charged hydrogel.

Sputtered reactive multilayers applied as a heat source in electronic joining processes are an emerging technology. Their use promises low-stress assembly of components while improving the thermal contact and reducing the thermal resistance. Nanostructured surface modifications can significantly enhance adhesion and reliability of joints between different materials. This work examines reactive multilayer of nickel and aluminum, directly sputtered on nanostructured black silicon surfaces and compares their phase transformation with reference samples deposited on pristine silicon surface. The investigation of the quenched self-propagating reaction reveals a clear influence of the nanostructured surface on the prolongation of the phase transition. Rapid thermal annealing tests result in the formation of Al_1.1Ni_0.9 phase. The nanostructured interface seems to hinder the full transformation of the parent material. The surface modification improves the adhesion of the formed alloy on silicon surfaces and can possibly increase the reliability of joints based on reactive aluminum/nickel multilayer. The use of black silicon, a nanostructured surface modification, is thus a promising approach to realize reliable multi-material joints in complex systems.

Using a nonclassical symmetry of nonlinear reaction-diffusion equations, some exact multi-dimensional time-dependent solutions are constructed for a fourth-order Allen-Cahn-Hilliard equation. This models a phase field that gives a phenomenological description of a two-phase system near the critical temperature. Solutions are given for the changing phase of a cylindrical or spherical inclusion, allowing for a 'mushy zone' with mixed state that is controlled by imposing a pure state at the boundary. The diffusion coefficients for transport of one phase through the mixture, depend on the phase field value, since the physical structure of the mixture depends on the relative proportions of the two phases. A source term promotes stability of both of the pure phases but this tendency may be controlled or even reversed through the boundary conditions.

The transmission of light is one of the key optical processes in the terrestrial environment (the atmosphere and underlying surfaces). The dependence of light transmittance on the illumination/observation conditions and optical properties of the atmosphere–underlying system can be studied using the integro-differential radiative transfer equation. However, for numerous applications a set of analytical equations is needed to describe the transmitted light intensity and flux. In this paper, we describe various analytical techniques to study light transmittance through light scattering and absorbing media. A physical significance and improved mathematical accuracy of approximations are provided using the analytical models for the diffusion exponent, average cosine of the light field, spherical and plane albedos. The accuracy of various approximations is studied using exact radiative transfer calculations with various scattering phase functions, single-scattering albedos, observational conditions, and optical depths.

Proton exchange membrane water electrolyzers (PEMWEs) for water electrolysis have received tremendous attention due to their immediate response, high proton conductivity, low ohmic losses and gas crossover rate. However, design high activity, economical and long-term durable electrocatalysts in an acidic environment is still the bottleneck to realize the large-scale commercialization of PEMWEs. Iridium-based materials represent one of the most promising classes of oxygen evolution reaction (OER) catalysts due to their intrinsic stability in acid media over ruthenium-based counterparts. However, only a few innovative approaches have been developed to synthesizing iridium-based catalysts (IBCs) in the past decade, mainly due to achieving high activity may deteriorate the stability of IBCs. Accordingly, various engineering strategies of optimizing IBCs have been proposed to address this issue, including doping engineering, morphology engineering, crystal phase engineering and support engineering. Herein, a critical overview focusing on various synthesis and modulation strategies of IBCs is presented, based on an in-depth understanding of the relationship between electronic structures, charge redistribution and activity as well as stability of the electrocatalysts. In addition, the unprecedented achievements in PEMWEs are summarized. The reaction mechanisms and future perspectives are critically discussed to inspire more rational design of IBCs toward practical applications.

In this paper, we work with a diffusion-perturbed risk model comprising a surplus generating process and an investment return process. The investment return process is of standard Black-Scholes type, that is, it comprises a single risk-free asset that earns interest at a constant rate and a single risky asset whose price process is modelled by a geometric Brownian motion. Additionally, the company is allowed to purchase noncheap proportional reinsurance priced via the expected value principle. Using the Hamilton-Jacobi-Bellman approach, we derive a second-order Volterra integrodifferential equation which we transform into a linear Volterra integral equation of the second kind. We proceed to solve this integral equation numerically using the block-by-block method for the optimal reinsurance retention level that minimizes the ultimate ruin probability. The numerical results based on light- and heavy-tailed distributions show that proportional reinsurance and investments play a vital role in enhancing the survival of insurance companies. But the ruin probability exhibits sensitivity to the volatility of the stock price.

Magnetic nanoparticles are met across many biological species ranging from magnetosensitive bacteria, fishes, bees, bats, rats, birds, to humans. They can be both of biogenetic origin and due to environmental contamination, being either in paramagnetic or ferromagnetic state. The energy of such naturally occurring single-domain magnetic nanoparticles can reach up to 10-20 room k_BT in the magnetic field of the Earth, which naturally led to supposition that they can serve as sensory elements in various animals. This work explores within a stochastic modeling framework a fascinating hypothesis of magnetosensitive ion channels with magnetic nanoparticles serving as sensory elements, especially, how realistic it is given a highly dissipative viscoelastic interior of living cells and typical sizes of nanoparticles possibly involved.

Suzuki cross-coupling reaction has developed one of the furthermost effectual approaches for the synthesis of biaryls or substituted aromatic moieties from aryl halides and arylboronic acids with a palladium-catalyst in the past two era’s. Herein, Pd-free layered double hydroxide containing nickel catalysts were prepared by co-precipitation method under ultrasonic irradiation and N2 atmosphere with different molar ratios of Ni: Mg: Al and coded as (1NiLDHs-Dr), (1.5NiLDHs-Dr) and (2NiLDHs-Dr). A series of reduced catalysts under 5%H2/N2 at different temperatures were coded as 1NiLDHs-R200, 1.5NiLDHs-R200 and 2NiLDHs-R200. As-synthesized 2NiLDHs-Dr was the superlative catalyst when coupling different aryl halides with different boronic acids derivatives. Deep investigation of all catalysts was done using different techniques such as inductively coupled plasma optical emission spectroscopy (ICP-OES), x-ray photoelectron spectroscopy (XPS), powder x-ray diffraction (XRD), thermogravimetric analyses (TGA), Fourier transfer infrared (FTIR), scanning electron microscope (SEM) connected with energy dispersive x-ray (EDX) and N2-physisorption at -196 ℃. The results attained verified that ɑ-Ni(OH)2 was fashioned for 2NiLDHs-Dr catalyst and the enclosure of nickel ions in the cationic sheet of layered structure were responsible for the fascinating catalytic efficacy rather than the basic nature of material. The Ni-containing LDHs catalysts encourage forthcoming studies in Pd-free catalyzed C-C coupling reactions.

In the present work, effect of basic components on the energy pathway of ethylene oligomerization by landmark Chevron-Phillips catalyst has been explored in detail using density functional theory (DFT). Studied factors were chosen considering the main components of Chevron-Phillips catalyst, i.e. ligand, cocatalyst and halocarbon compounds, comprising i) the type of alkyl substituents in pyrrole ligand as methyl, iso-propyl, tert-butyl, and phenyl, as well as the simple hydrogen, and the electronwithdrawing fluoro and trifluoromethyl; ii) the number of Cl atoms in Al-compound (as AlMe2Cl, AlMeCl2 and AlCl3) which indicates halocarbon amount and iii) cocatalyst type as alkylboron, alkylaluminium, or alkylgallium. Besides main ingredients, solvent effect, from toluene or methylcyclohexane, on oligomerization pathway was explored as well. In this regard, the full catalytic cycles for the main product (1-hexene) formation as well as side reactions, i.e. 1-butene release and chromacyclononane formation, were calculated on the basis of the metallacycle based mechanism. Based on results, a modification on the Chevron-Phillips catalyst system, to reach higher 1-hexene selectivity and activity, is suggested.

Establishment of diagnostic methods with low detection limits plays a critical role in the maintenance of early diagnosis, prevention of serious neurological complications, and control of the spread of ZIKA. In this study, we established the micro-droplet digital polymerase chain reaction (ddPCR) and real-time fluorescent quantification PCR (qPCR) protocols for the detection of Zika virus based on the NS5 gene. For the Zika standard plasmid, the standard curve of R² was 0.999, and the amplification efficiency was 92.203%, as determined by qPCR. Both ddPCR and qPCR were positive for cell culture of Zika nucleic acid.The minimum detection limit of ddPCR is 1–2 times lower than qPCR. Moreover, all tests of Dengue virus (1–4 serotypes) were negative in cell culture. Overall, these results suggested than ddPCR may have a lower limit of detection than qPCR.

Medical institutions, where several patients are treated and medical workers engaged, are always exposed to secondary viral and bacterial infections. It is critical to prevent infection transmission by indirect as well as direct contact through air or splash. The infections of most diseases can be transmitted through the air. HEPA filters installed in air conditioning equipment are used to prevent infection transmission through air in medical institutions, but air circulation takes a long time in a large space. Virus and bacteria smaller than 0.3 μm cannot be removed by the HEPA filter; hence, those microbes remain alive throughout the air ventilation. A plasma sterilizer has the capability to provide environmental friendly sterilization by employing reactive oxide species and reactive nitrogen species at a low cost. We developed an excellent plasma sterilizer by using a non-thermal atmospheric-pressure biocompatible plasma (NBP). Ozone concentration in plasma sources has been derived by Kuhn et al. [1]. The diffusion coefficients inside (D₀) and outside (D₁) the plasma sterilizer have been calculated to be 0.0641 m² s^-1 and 0.717 m² s^-1, respectively. To sustain high O₃ concentrations over 121 ppm inside the plasma source and low O₃ concentrations below 0.05 ppm outside the sterilizer, it is necessary to keep O₃ concentrations at the exit of plasma sterilizer below 0.28 ppm. so that diffusion coefficient D₁ has been designed to be as large as 11 times of D₀.

Almost all modern inorganic light-emitting diode (LED) designs are based on double heterojunctions (DHJs) whose structure and current injection principle have remained essentially unchanged for decades. Although highly efficient devices based on the DHJ design have been developed and commercialized for energy-efficient general lighting, the conventional DHJ design requires burying the active region (AR) inside a pn-junction. This has hindered the development of emitters utilizing nanostructured ARs located close to device surfaces such as nanowires or surface quantum wells. Modern DHJ III-N LEDs also exhibit resistive losses which arise from the DHJ device geometry. The recently introduced diffusion-driven charge transport (DDCT) emitter design offers a novel way to transport charge carriers to unconventionally placed ARs. In a DDCT device, the AR is located apart from the pn-junction and the charge carriers are injected into the AR by bipolar diffusion. This device design allows the integration of surface ARs to semiconductor LEDs and offers a promising method to reduce resistive losses in high power devices. In this work, we present a review of the recent progress in gallium nitride (GaN) based DDCT devices, and an outlook of potential DDCT has for opto- and microelectronics.

Current education in biology is devoid of mathematics in many countries, probably because many relevant biological processes are explained from a qualitative point of view rather than addressing the quantitative aspects of these phenomena. Here, we employ a case study from the yeast physiology to illustrate the importance of numeracy skills for a deeper understanding of relevant biological problems. Yeast anaerobic growth on sugars is a widespread process as it is the basis for beer, bread, and winemaking and it is much akin to lactic acid fermentation in muscle cells in response to an increased energy demand. To study the physiology of yeasts under controlled conditions and being able to compare the results quantitatively, one ought to perform measurements and calculations involving concentrations of oxygen, biomass, and organic compounds. To set-up an “anaerobic” culture of Saccharomyces cerevisiae in a defined medium, one needs to calculate how much oxygen must enter the cultivation system, to meet the requirements for ergosterol and oleic acid biosyntheses, both of which require oxygen. Using basic physicochemical principles and simple mathematical skills, students will be able to compute the oxygen requirement for yeast growth under such “anaerobic” conditions.

The COVID-19 infections in Pakistan are spreading at an exponential rate and a point may soon be reached where rigorous prevention measures would need to be adopted. Mathematical models can help define the scale of an epidemic and the rate at which an infection can spread in a community. I used ARIMA Model, Diffusion Model, SIRD Model and Prophet Model to forecast the magnitude of the COVID-19 pandemic in Pakistan and compared the numbers with the reported cases on the national database. Results depicts that Pakistan could hit peak number of infectious cases between June 2020 and July, 2020.

Background: Infectious disease is a major challenge in aquaculture and poses a constraint for development of farming of new species. In 2017, Siberian sturgeon (Acipenser baerii) juveniles were imported from Italy to a Swedish farm. Due to stressful conditions, 30% died during transport and in the first days after arrival. Ten days after arrival, mortalities started to occur again. Within two months, only 5% of the juveniles were still alive. Methods: Diseased fish were transported live to the National Veterinary Institute (SVA) for necropsy and further analysis. Pathological and histopathological investigation was conducted. Virology was performed on gills and internal organs by cell culture isolation and specific PCR protocols. Results: The juveniles displayed neurological signs such as lethargy, inability to maintain upright position and erratic swimming. Body condition was low. Gills were pale. One fish had petechial hemorrhage on the abdomen and the snout. The ventricles were air-filled with, but swim bladders were deflated. One specimen had intestinal hemorrhage. Viral cell cultures were negative, but PCR of gills and internal organs detected the presence of Acipenser Iridovirus European (AcIV-E). Conclusions: AcIV-E was associated with disease and high mortality in the sturgeon juveniles. Stress probably aggravated the course of the infection.

Aiming at the industrial scale development of a Scandium (Sc)-selective leaching process of Bauxite Residue (BR), a sufficiently numerous set of process design aspects has been investigated, by appropriate exploitation of available experimental data. The interpretation of experimental data for Sc leaching yield, with sulfuric acid as the leaching solvent, has shown significant impact from acid feed concentration, mixing residence time, liquid to solids ratio, and times of leachate re-usage onto fresh BR. The thin film diffusion model, as the fundamental theory for leaching, either with constant particle size for selective leaching, or with shrinking particle size for less-, or non-, selective leaching, interprets sufficiently well the relevant experimental data. In both cases, a concept for an unyielding core supplements the basic model. Especially for the selective leaching mild conditions, the simplest model version keeps step with the experiments, since both prove 1^st order kinetics, while especially for the extreme conditions including very low solvent excess, it is proposed a combined conversion rate model with diffusion and chemical reaction inside particles. The maximization of Sc recovery per unit of consumed solvent (i.e., specific recovery) emerged as highly critical for the process economics.

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

Background: In rheumatoid arthritis (RA), anti-citrullinated protein/peptide antibodies (ACPAs) are responsible for disease onset and progression, however, our knowledge is limited on ligand binding affinities of autoantibodies with different citrulline-peptide specificity. Methods: Citrulline-peptide specific ACPA IgGs were affinity purified and tested by ELISA. Binding affinities of ACPA IgGs and serum antibodies were compared by surface plasmon resonance (SPR) analysis. Bifunctional nanoparticles harboring a multi-epitope citrulline-peptide and a complement activating peptide were used to induce selective depletion of ACPA producing B cells. Results: KD values of affinity purified ACPA IgGs varies between 10-6-10-8 M and inversely correlate with disease activity. Based on their cross-reaction with citrulline-peptides we designed a novel multi-epitope peptide, containing Cit-Gly and Ala-Cit motifs in two-two copies, separated with a short, neutral spacer. This peptide detects antibodies in RA sera with 66 % sensitivity and 98 % specificity in ELISA and is recognized by 90% of RA sera, while none of the healthy samples in SPR. When coupled to nanoparticles, the multi-epitope peptide specifically targets and depletes ACPA producing B cells ex vivo. Conclusions: The unique multi-epitope peptide designed on the basis of ACPA cross-reactivity might be suitable to develop better diagnostics and novel therapies for RA.

We propose a wave-like design on the surface of cathode channels (wave form cathode channels) to improve oxidant delivery to gas diffusion layers (GDLs) [1-2]. We performed experiments using PEMFCs combined with wave form surface design on cathodes. We varied the factors of the distance between wave-bumps (the Adhesive distance, AD), and the size of the wave-bumps (the Expansion ratio, ER). The ADs are 3, 4, and 5 times the size of the half-circle bump’s radius, and the ERs are 1/1.5, 1/2, and 1/3 times the channel’s height. We evaluated the performances of the fuel cells, and compared the current-voltage (I-V) relations. For comparison, we prepared PEMFCs with conventional flat-surfaced oxygen channels. Our aim in this work is to identify fuel cell operation by modifying the surface design of channels, and ultimately to find the optimal design of cathode channels that will maximize fuel cell performance.

In 2013, thirty-eight treadle pumps (TPs) were installed as low-cost technology introduction for small-scale irrigation in eastern Ethiopia. This pilot project also trained six farmers on tube well excavation, installation and maintenance of pumps. In June 2015, researchers visited nine of the 38 TP villages, and found only two functional TPs. The rest were replaced with a new technology developed by the trained farmers. Adopters of the new technology stated that the limited water output and high labor demand of the conventional TP did not optimally fulfil their irrigation water requirements. The new technology had spread quickly to more than one hundred households due to three key factors. First, farmers’ innovative modifications of the initial excavation technique addressed the discharge limitations of the conventional TP by excavating boreholes with wider diameter. Second, local ownership of the new technology, including skills used in well drilling and manufacturing excavation implement, made the new irrigation technology affordable and accessible to the majority of households. Third, this innovation spread organically without any external support, confirming its sustainability. Farmers, empowered by training, gained more control in developing technology options tailored to local needs and conditions of their communities.

The energy crisis and environmental problems are becoming more and more severe due to the long-term consumption of fossil fuels. Therefore, energy conversion devices with high energy density and environmental friendliness (such as fuel cells, metal-air batteries, etc.) have been ex-pected to be reliable alternatives to traditional fossil energy. However, due to the inevitable use of precious metals as the electrode catalysts for these devices, the popularization of these alternatives is seriously hindered. Transition metal nitrides (TMNs) exhibit similar surface and adsorption properties to noble metals since the atomic distance between metal atoms increases and the d-band center of metal atoms downshift after the nitrogen atoms enter the metal lattice. TMNs have become one of the best electrode materials to replace noble metal electrocatalysts in energy storage and conversion devices. In this review, the latest development in the electrocatalytic ap-plication of TMNs nanocrystalline is covered. Firstly, we briefly discuss the structure and activity origin of TMNs and introduce the common physical and chemical methods for the preparation of TMNs. Subsequently, we illustrate the applications of unary TMNs and multivariate TMNs in oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). Finally, we summarize the challenges and problems of TMNs encountered at the present stage, and expect its future de-velopment.

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

Many empirical and theoretical studies indicate that Brownian motion and diffusion models as its mean field counterpart provide appropriate modelling techniques for individual insect movement. However, this traditional approach has been challenged and conflicting evidence suggests that an alternative movement pattern such as Lévy walks can provide a better description. Lévy walks differ from Brownian motion since they allow for a higher frequency of large steps, resulting in a faster movement. Identification of the ‘correct’ movement model that would consistently provide the best fit for movement data is challenging and has become a highly controversial issue. In this paper, we show that this controversy may be superficial rather than real if the issue is considered in the context of trapping or, more generally, survival probabilities. In particular, we show that almost identical trap counts are reproduced for inherently different movement models (such as the Brownian motion and the Lévy walk) under certain conditions of equivalence. This apparently suggests that the whole ‘Levy or diffusion’ debate is rather senseless unless it is placed into a specific ecological context, e.g. pest monitoring programmes.

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

This review describes major advances in the use of functionalized molecular metal oxides (polyoxometalates, POMs) as water oxidation catalysts under electrochemical conditions. The fundamentals of POM-based water oxidation are described together with a brief overview of general approaches to designing POM water oxidation catalysts. Next, the use of POMs for homogeneous, solution-phase water oxidation is described together with a summary of theoretical studies shedding light on the POM-WOC mechanism. This is followed by a discussion of heterogenization of POMs on electrically conductive substrates for technologically more relevant application studies. Stability of POM water oxidation catalysts are discussed on selected examples where detailed data is already available. The review finishes with an outlook on future perspective and emerging themes in electrocatalytic polyoxometalate-based water oxidation research.

Mixing is considered as a critical process parameter (CPP) during process development due to its significant influence on reaction selectivity and process safety. Nevertheless, mixing issues are difficult to identify and solve owing to their complexity and dependence on knowledge of kinetics and hydrodynamics. In this paper, we proposed an optimization methodology using Computational Fluid Dynamics (CFD) based compartmental modelling to improve mixing and reaction selectivity. More importantly, we have demonstrated that through the implementation of surrogate-based optimization, the proposed methodology can be used as a computationally non-intensive way for rapid process development of reaction unit operations. For illustration purpose, reaction selectivity of a process with Bourne competitive reaction network is discussed. Results demonstrate that we can improve reaction selectivity by dynamically controlling rates and locations of feeding in the reactor. The proposed methodology incorporates mechanistic understanding of the reaction kinetics together with an efficient optimization algorithm to determine the optimal process operation and thus can serve as a tool for quality-by-design (QbD) during product development stage.

The purpose of our work was the search for safe and effective biologically active substances of cardiotropic action among 1,3- thiazole derivatives. New derivatives of 1-[(2Z)-2-[R-imin]-4-methyl-3-R¹-2,3-dihydro-1,3-thiazole-5-yl]ethan-1-one and ethyl-(2Z)-2-[R-imin]-4-methyl-3-R¹-2,3-dihydro-1,3-thiazole-5-carboxylate were synthesized by the Hantzsch reaction. The structure of the compounds obtained was confirmed by ¹H NMR spectroscopy and by the elemental analysis. The pharmacological screening showed that the obtained substances possess cardiotropic activity. The cardiotropic properties of the new 1,3-thiazole derivatives were studied on the isolated rings of the thoracic aorta of laboratory rats. A prospective substance 1-[(2Z)-2-[(4-methoxyphenyl)imin]-4-methyl-3-(4-methylpiperazin-1-yl) -2,3-dihydro-1,3-thiazol-5-yl]ethan-1-one hydrochloride, which exhibits cardiotropic activity exceeding the activity of L-carnitine and meldonia has been revealed during pharmacological researches of the substances obtained.

This work deals with the numerical investigation of the delivery of potential therapeutic agents through dentinal discs (i.e. a cylindrical segment of the dentinal tissue) towards the dentin-pulp junction. The aim is to assess the main key features (i.e. molecular size, initial concentration, consumption rate, disc porosity and thickness) that affect the delivery of therapeutic substances to the dental pulp and consequently to define the necessary quantitative and qualitative issues related to a specific agent before its potential application in clinical practice. The CFD code used for the computational study is validated with relevant experimental data obtained using micro Laser Induced Fluorescence (μ-LIF) a non-intrusive optical measuring technique. As the phenomenon is diffusion dominated and strongly dependent on the molecular size, the time needed for the concentration of released molecules to attain a required value can be controlled by their initial concentration. Finally, a model is proposed which, given the maximum acceptable time for the drug concentration to attain a required value at the pulpal side of the tissue along with the aforementioned key design parameters, is able to estimate the initial concentration to be imposed and vice versa.

Sam Granick opened his seminal 1957 paper titled Speculations on the Origins and Evolution of Photosynthesis with the assertion that there is a constant urge in human beings to seek beginnings (I concur). This urge has led to an incessant stream of speculative ideas and debates on the evolution of photosynthesis that started in the first half of the twentieth century and shows no signs of abating. Some of these speculative ideas have become common place, are taken as fact, but find little support. Here I review and scrutinise three widely accepted ideas that underpin the current study of the evolution of photosynthesis: firstly, that the photochemical reaction centres used in anoxygenic photosynthesis are more primitive than those in oxygenic photosynthesis; secondly, that the probability of acquiring photosynthesis via horizontal gene transfer is greater than the loss of photosynthesis; and thirdly, and most importantly, that the origin of anoxygenic photosynthesis predates the origin of oxygenic photosynthesis. I shall attempt to demonstrate that these three ideas are often grounded on incorrect assumptions built on more assumptions with no experimental nor observational support. I hope that this brief review will not only serve as cautionary tale, but also that it will open new avenues of research aimed at disentangling the complex evolution of photosynthesis and its impact on the early history of life and the planet.

The Maxwell equations of electrodynamics describe electrical and magnetic forces with great accuracy in the vacuum of space. But the equations of electrodynamics applied to material systems are usually written in a way that obscures their accuracy. The usual formulation of the Maxwell equations includes a dielectric constant as a single real number that grossly over-approximates the actual properties of matter, particularly liquid matter so important in applications of electrodynamics to biology and chemistry. We rewrite two Maxwell equations here to make clear the precision of the Maxwell equations in the presence or absence of matter. We discuss and derive two well known corollaries that are as universal and precise as the Maxwell equations themselves: (1) a continuity equation that relates charge and flux and (2) a conservation equation in which total current never accumulates at all. The total current is the right hand side of the Ampere-Maxwell law. Total current is perfectly incompressible. It is conserved exactly, everywhere and at every time, independent of the microphysics of charge conduction. The total current combines the flux of charges and the ethereal current. The ethereal current \varepsilon_{o\ }\sfrac{\partial\mathbf{E}}{\partial t}\ exists everywhere, including the interior of atoms, because it is a property of space, not matter. The ethereal current exists, and thus flows, in a vacuum devoid of mass. The ethereal current is a consequence of the relativistic (Lorentz) invariance of charge. Charge does not change even if it moves at speeds approaching the velocity of light. Total current has properties quite distinct from flux of mass because of the ethereal current. Most strikingly, in the one dimensional unbranched systems of electronic circuits and biological ion channels, the total current is independent of location, even if the flux of charges varies a great deal. Indeed, the Maxwell equations—and thus conservation of total current—act as a perfect low pass spatial filter, converting the infinite variation of (the Brownian model of) thermal motion of charges to the zero variation of the total current.

Pulsed-field gradient (PFG) diffusion experiments can be used to measure anomalous diffusion in many polymer or biological systems. However, it is still complicated to analyze PFG anomalous diffusion, particularly the finite gradient pulse width (FGPW) effect. In practical applications, the FGPW effect may not be neglected such as in clinical diffusion magnetic resonance imaging (MRI). Here, two significantly different methods are proposed to analyze PFG anomalous diffusion: the effective phase shift diffusion equation (EPSDE) method and an observing the signal intensity at the origin method. The EPSDE method describes the phase evolution in virtual phase space, while the method to observe the signal intensity at the origin describes the magnetization evolution in real space. However, these two approaches give the same general PFG signal attenuation including FGPW effect, which can be numerically evaluated by a direct integration method. The direct integration method is fast and without overflow. It is a convenient numerical evaluation method for Mittag-Leffler function type PFG signal attenuation. The methods here provide a clear view of spin evolution under field gradient, and their results will help the analysis of PFG anomalous diffusion.

In this study, the effect of hot stamping forming process on the properties change of compound layer in Al–Si coated high-strength steel sheet with different thickness was investigated. The coating layer in hot stamped high-strength steel sheet was composed of a diffusion layer and a compound layer. As the hot stamping temperature and holding time for forming increased, the thickness of the compound layer in the Al–Si coated high-strength steel sheet increased. The thickness of coating layer with the hot stamping for 500 sec at 890, 910 and 950 °C was obtained 8.9, 11.8, and 20.6 micrometer, respectively. The thickness of coating layer with hot stamping for 180, 500 and 550 sec at 910 ^oC was obtained 5.7, 11.8, and 17.8 micrometer, respectively. The compound layer in hot stamped high-strength steel sheet with Al–Si coating layer consists of Al_5.4Fe₂ and Fe₂Si phases. In the compound layer, Al and Si were irregularly distributed.

The development of novel porous composite materials for organic dye degradation and removal has received increasing attention due to water contamination problem. In this paper, hydrothermal synthesized nano zeolite A have been encapsulated with porous periodic mesoporous organosilica (PMO) through a simple modified StÖber method an organosilane-directed growth-induced etching strategy, the obtained yolk-shell structured sample was further functionalized by the impregnation of copper, realizing the composite material with hierarchical porous and catalytic properties. The morphology, porosity and metal content of the zeolite Cu/A and Cu/A@Et-PMO were fully characterized. As compared to the parent material, the composite Cu/A@Et-PMO have an efficient adsorption and catalytic degradation performance on methylene blue (MB), the removal efficiency reached as high as 95% of 60 mg/L MB with 10min. These novel structured porous composites may have great potential for adsorption and degradation application including waste effluents.

In advanced world stroke is one of the disabling cause of death that can be managed with thrombolysis if presents early despite further risk of intracerebral haemorrhage. Secondary prevention is an important objective in ischaemic stroke where recurrence is very high with subsequent stroke. Carotid End Arterectomy impact a definitive and effective role for both symptomatic and asymptomatic carotid stenosis for secondary stroke prevention in selective cases. Thrombolysis is a potential primary management for certain group whereas carotid surgery employs secondary preventative measure in a specified ischaemic stroke group.

The authors determined mass concentrations of 12 elements (As, Cd, Cr, Cu, Mn, Ni, Pb, Se, Sr, Tl, V, Zn) in blood and urine taken from 100 rural children living in unremarkable condition in the West Ural region of the Russian Federation. We applied inductively coupled plasma mass spectrometry in conformity with Methodical Guidelines 4.1. 3230-14 (FR.1.31.2014.17064) designed by us and detailed in the paper. The article contains setting parameters for Agilent 7500cx quadrupole inductively coupled plasma mass spectrometer . The authors present grounds for an optimal scheme of samples preparation which helps to eliminate "matrix" effect and explain why it is advisable to use reaction/collision functioning mode as it enables interference overlaps suppression.To prepare whole blood samples for analysis, we used acid dissolution in concentrated nitric acid followed by centrifugation. The arithmetic mean (AM) of element content in blood amounted to 0.34 µg/l (As); 0.39 µg/l (Cd); 6.41 µg/l (Cr); 866.11 µg/l (Сu); 13.73 µg/l (Mn); 5.86 µg/l (Ni); 23.65 µg/l (Pb); 87.43 µg/l (Se); 33.54 µg/l (Sr); 0.04 µg/l (Tl); 0.16 µg/l (V); 4713.48 µg/l (Zn). The validity of the results was confirmed by means of SERONORM ^TM Whole Blood L2 standard samples (Norway). Urine samples were directly analyzed after 1/10 (V/V) dilution with 1% nitric acid solution. The arithmetic mean of element content of urine corresponded to 18.99 µg/l (As); 0.12 µg/l (Cd); 1.91 µg/l (Cr); 13.28 µg/l (Сu); 0.96 µg/l (Mn); 1.84 µg/l (Ni); 0.83 µg/l (Pb); 22.55 µg/l (Se); 239.09 µg/l (Sr); 0.16 µg/l (Tl); 0.68 µg/l (V); 270.56 µg/l (Zn). The validity of the results was confirmed by analyzing the SERONORM ^TM standard urine samples (Norway). Regional differences from levels found in other countries included higher concentrations of Cr, Mn and Ni in blood and lower levels of Se and Zn levels in West Ural children. Urine concentrations of West Ural children showed higher levels of As and Sr.

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

Objectives: This meta-analysis was designed to assess the effect of addition of a bead-beating step during DNA extraction to effectively isolate Trichuris trichura DNA for quantitative Polymerase Chain Reaction (qPCR)-based diagnosis. Abstract was reported according to PRISMA-DTA abstract checklist. Methods: Eligibility criteria: qPCR-based molecular studies comparing the inclusion of bead-beating step during the DNA extraction from stool samples with extraction without the step were included in the analysis. Information sources: Studies using real patient samples in community settings were included. PubMed and Google search engine were searched in December 2019. Risk of bias and applicability: Risk of bias and applicability were assessed using QUADAS-2 checklist. Synthesis of results: Odds ratio for individual studies were combined to estimate Random Effects Model odds ratio. Additional literature were searched to discuss biochemical nature of helminth eggs. Results:Included studies: A total of six independent sub-studies were gathered from two published original articles. Division of the two major studies into six sub-studies was indispensable due to natures of the study carried. 128 of total 192 samples (in all studies) were positive for Trichiuris trichiura when bead-beating was used during DNA extraction compared to 108/192 when bead-beating was excluded. Combined odds ratio was 1.66 (95% CI: 1.059 to 2.602). Biochemical nature of helminth eggs was discussed. Discussions: Strengths and limitations: Though only two article were included in the study, six exclusive individual sub-studies were analyzed. Inherent differences in the background prevalence of helminth in study population could impact sensitivity of qPCR. Interpretation: It was found that the inclusion of the bead-beating step during DNA extraction significantly increased the sensitivity of the test.

Master equations define the dynamics that govern the time evolution of various physical processes on lattices. In the continuum limit, master equations lead to Fokker-Planck partial differential equations that represent the dynamics of physical systems in continuous spaces. Over the last few decades, nonlinear Fokker-Planck equations have become very popular in condensed matter physics and in statistical physics. Numerical solutions of these equations require the use of discretization schemes. However, the discrete evolution equation obtained by the discretization of a Fokker-Planck partial differential equation depends on the specific discretization scheme. In general, the discretized form is different from the master equation that has generated the respective Fokker-Planck equation in the continuum limit. Therefore, the knowledge of the master equation associated with a given Fokker-Planck equation is extremely important for the correct numerical integration of the latter, since it provides a unique, physically motivated discretization scheme. This paper shows that the Kinetic Interaction Principle (KIP) that governs the particle kinetics of many body systems, introduced in [G. Kaniadakis, Physica A 296, 405 (2001)], univocally defines a very simple master equation that in the continuum limit yields the nonlinear Fokker-Planck equation in its most general form.

Alternative fuel vehicles, such as battery electric vehicles and hydrogen fuel cell vehicles, support the imperative to decarbonise the transport sector, but are not yet at a stage in their development where they can successfully compete with conventional fuel vehicles. This paper examines the influence of knowledge and persuasion on the decision to adopt or reject alternative fuel vehicles, underpinned by Rogers’ Diffusion of Innovations theory. A household questionnaire survey was undertaken with respondents in the Sutton Coldfield suburb of the United Kingdom city of Birmingham. This suburb was previously identified as having a strong spatial cluster of potential early adopters of alternative fuel vehicles. The results confirm that among respondents the knowledge of alternative fuel vehicles was limited and perceptions have led to the development of negative attitudes towards them. The reasons largely relate to three problems: purchase price, limited range, and poor infrastructure availability. The majority of respondents have passively rejected alternative fuel vehicles, such that they have never given consideration to adoption. This confirms that a concerted effort is required to inform the general public about alternative fuel vehicles.

Li₂MnO₃ is critical component in the well-studied Li-excess cathode materials xLi₂MnO₃•(1- x)LiMO₂ for achieving high lithium storage capacity. In this article, the diffusion of Li ions in Li₂MnO₃ is studied using molecular dynamics (MD) simulation with well-behaved empirical force fields obtained by fitting against the crystal structure from experiment and phonons calculated using Density Function Theory (DFT). We have found two possible tetrahedral hopping channels, 0-TM and 1-TM(Mn⁴⁺) channel, which are differentiated by the face sharing octahedral cations. Simulation results show that the 0-TM channel is active for Li hopping, while 1-TM(Mn4+) channel is inactive. During the delithiation process, the Li ions in the TM layered are firstly removed, then those in the Li layer. However, the Li ions will be trapped in the tetrahedral 0-TM channels as long as the four face sharing octahedral sites are cleared. Up to x=1.0 for Li₂-xMnO₃, almost all the Li ions are located at the tetrahedral sites, forming a regular array along a axis. The de-intercalation of tetrahedral Li ions requires a high voltage (>5.2 V vs. Li/Li+), limiting the practical capacities measured in lab. The diffusion of Mn ions into the Li layers is observed in a deeper delithiated structure (x=1.2 for Li₂-xMnO₃), indicating an initial phase transformation to a spinel-like structure. However, the Mn ions are mainly trapped in the tetrahedral sites in the Li layer, instead of the octahedral sites fin spinel-like structure. A few of Mn ions diffusing into the octahedral sites in Li layers have no face sharing tetrahedral Li ions, revealing a further Li de-intercalation is imperative for the complete phase transformation. Our model is not stable for x≥1.4 in Li₂-xMnO₃. Other charge compensation mechanism should be considered in this high delithiation stage, eg. oxygen release.

Polyphenols are well-known health promoting agents, but they have some limitations due to their spontaneous oxidation. This evidence has limited their use as drugs in the last years. In this field, several chemical modifications have been proposed to overcome these restrictions; among these, the esterification seems to be the preferred. Ester derivatives could be able to reduce the bioavailability problems connected to polyphenols. On the other hand, the presence of the esterase enzymes in the body guarantees the ester hydrolysis, which in turn frees the two molecules that make it up. Lipase-catalyzed esterifications afforded several derivatives of flavonoids glycosides, in green conditions. In this short note, pancreatic porcine lipase was firstly used as a cheap bio-catalyst, to synthesize oleoyl derivatives of quercetin in aglycone form. Results demonstrated how the enzyme acyl regioselective in position C-3, with high yields and easy purification processes

In this paper we present the measurement of charged pion two-particle femtoscopic correlation functions in $\sqrt{S_{NN}}$= 200 GeV Au+Au collisions, in 31 average transverse mass bins, separately for positive and negative pion pairs. Lévy-shaped source distributions yield a statistically acceptable description of the measured correlation functions, with three physical parameters: correlation strength parameter λ , Lévy index α and Lévy scale parameter R. The transverse mass dependence of these Lévy parameters is then investigated. Their physical interpretation is also discussed, and the appearance of a new scaling variable is observed.

This paper reveals the physical properties of Jeffery nanofluid flow past a moving plate embedded in porous medium under the existence of radiation and thermal diffusion. The analysis is carried out in three cases of moving plate, namely stationary plate λ = 0, forth-moving plate λ = 1, back-moving plate λ = −1. Finite difference method is applied to solve the governing equations of the flow and pointed out the variations in velocity, temperature and concentration with the use of graphical presentations. The impact of several parameters on local skin friction, Nusselt number and Sherwood number is also noticed and discussed. Enhancement of velocity is observed under the impact of Jeffery parameter for the cases of stationary plate and back-moving plate, whereas reverse nature is found in the case of forth-moving plate. The velocity enhances as the values of porosity parameter increases for the case of stationary plate and forth-moving plate but a reverse nature is noticed in the case of back-moving plate.

Fractional differential equations have become a fundamental modelling approach for understanding and simulating the many aspects of nonlocality and spatial heterogeneity of complex materials and systems. Yet, while real-order fractional operators are nowadays widely adopted, little progress has been made in extending such operators to complex-order counterparts. In this work, we introduce new definitions for the complex-order fractional Laplacian, fully consistent with the theory of averaging of smooth functions over fractal sets, and present tailored spectral methods for their numerical treatment. The proposed complex-order operators exhibit a dual particle-wave behaviour, with solutions manifesting wave-like features depending on the magnitude of the imaginary part of the fractional order. Reaction-diffusion systems driven by the complex-order fractional Laplacian exhibit unique spatio-temporal dynamics, such as equilibrium of diffusion in random materials by interference of scattered waves, conduction block and highly fractionated propagation, or the generation of completely novel Turing patterns. Taken together, our results support that the proposed complex-order operators hold unparalleled capabilities to advance the description of multiscale transport phenomena in physical and biological processes highly influenced by the heterogeneity of complex media.

For efficient electrode development in an electrolysis system, Fe₂O₃, MnO, and heterojunction Fe₂O₃-MnO materials were synthesized via a simple sol-gel method. These particles were coated on a Ni-foam electrode, and the resulting material was used as an electrode to be used during an oxygen evolution reaction (OER). A 1000-cycle OER test in a KOH alkaline electrolyte indicated that the heterojunction Fe₂O₃-MnO/NF electrode exhibited the most stable and highest OER activity: it exhibited a low overvoltage (n) of 370 mV and a small Tafel slope of 66 mV/dec. X-ray photoelectron spectroscopy indicated that the excellent redox performance contributed to the synergy of Mn and Fe, which enhanced the OER performance of the Fe₂O₃-MnO/NF electrode. Furthermore, the effective redox reaction of Mn and Fe indicated that the structure maintained stability even under 1000 repeated OER cycles.

In our tactic to construct bio-active molecules, a series of novel pyrimido[2,1-c][1,2,4]triazine-3,4-diones based heterocycles, were synthesized and evaluated for their in vitro antimicrobial impacts. The exploratory bioassay results declared that, the majority of the evaluated compounds exhibited considerable anti-microbial activity comparable to the reference drugs. Conjugates 15j, 15f, 15i, 15h, 15g and 15a were found to be the most potent antibacterial, indicating that conjugates bearing electron-attracting substituents exhibited higher potency than these with electron-releasing substituents.

Objective: This study assessed hearing aid benefits for people with a normal audiogram but hearing-in-noise problems in everyday listening situations. Design: Exploratory double-blinded case control study whereby participants completed retrospective questionnaires, ecological momentary assessments, speech-in-noise testing, and mental effort testing with and without hearing aids. Twenty-seven adults reporting speech-in-noise problems but normal air-conduction pure-tone audiometry took part in the study. They were randomly separated into an experimental group who trialled mild-gain hearing aids with advanced directional processing and a control group fitted with hearing aids with no gain or directionality. Results: Self-reports showed mild-gain hearing aids reduce hearing-in-noise difficulties and provide a better hearing experience (i.e., improved understanding, participation, and mood). Despite the self-reported benefits, the laboratory tests did not reveal a benefit from the mild-gain hearing aids, with no group differences on speech-in-noise tests or mental effort measures. Further, participants found the elevated cost of hearing aids to be a barrier for their adoption. Conclusions: Hearing aids benefit the listening experience in some listening situations for people with normal audiogram who report hearing difficulties in noise. Decreasing the price of hearing aids may lead to greater accessibility to those seeking remediation for their communication needs.

Due to the complexity, high-risk, and conservative character of construction companies, advanced digital technologies do not become widely adopted in the short term, while vendors make determined efforts to overcome this and disseminate their technologies. This paper presents the methods of an investigation addressing the extremely complex issues related to the current practices of digital technology adoption in construction. It discusses how construction companies follow a specific logical process linked to need, project objectives, characteristics of the adopting organization, and the characteristics of the new technology to be adopted. The study aims to demonstrate a novel method of data collection and analysis including data and methodological triangulation techniques including the use of NVivo and AHP to explore how companies make the decision to uptake a new technology (e.g. advanced crane, tunnel boring machine or drones) by focusing on customer and vendor activities, their interactions, contributing factors, and people involved in the process. The major original contribution of this paper is to develop an innovative methodological Cube for investigating the Construction Technology Adoption Process (CTAP) covering technology adoption, acceptance, diffusion and implementation concepts. CTAP is a framework that delineates the phases of the process that customer organizations use when deciding to adopt a new digital technology and the parallel vendor activities. The significance of these contributions is that they enable vendors to understand how to match their strategies with customer expectations in each phase of the CTAP. It also provides a benchmark for new construction companies to use the current best practice of decision making. Future research is warranted to more clearly delineate any differences with developing nations or related industries such as mining and property management.

This review describes how resonance in amides is greatly affected upon substitution at nitrogen by two electronegative atoms. Nitrogen becomes strongly pyramidal and resonance stabilisation, evaluated computationally, can be reduced to as little as 50% that of N,N-dimethylacetamide. However, this occurs without significant twisting about the amide bond, which is borne out both experimentally and theoretically. In certain configurations, reduced resonance and pronounced anomeric effects between heteroatom substituents are instrumental in driving the HERON (Heteroatom Rearrangement On Nitrogen)^† reaction, in which the more electronegative atom migrates from nitrogen to the carbonyl carbon in concert with heterolysis of the amide bond, to generate acyl derivatives and heteroatom-substituted nitrenes. In other cases the anomeric effect facilitates S­_N1 and S_N2 reactivity at the amide nitrogen.

FRAP technique have been used for decades to measure movements of molecules in 2D. Data obtained by FRAP experiments in cell plasma membranes are assumed to be described through means of two parameters, a diffusion coefficient D (as defined in a pure Brownian model) and a mobile fraction M. Nevertheless, it has also been shown that recoveries can be nicely fit using anomalous sub-diffusion. FRAP at variable radii has been developed using the Brownian diffusion model to access geometrical characteristics of the surrounding landscape of the molecule. Here we performed numerical simulations of continuous time random walk (CTRW) anomalous subdiffusion and interpreted them in the context of variable radii FRAP. These simulations were compared to experimental data obtained at variable radii on living cells using the PH domain of the membrane binding protein EFA6 (exchange factor for ARF6, a small G protein). This protein domain is an excellent candidate to explore the structure of the interface between cytosol and plasma membrane in cells. By direct comparison of our numerical simulations to the experiments, we show that this protein does not exhibit anomalous diffusion in BHK cells. The non Brownian PH-EFA6 dynamics observed here is more related to spatial heterogeneities such as cytoskeleton fences effects.

Spherical microparticles of TiO₂ were synthesized by the ionic liquid-assisted solvothermal method at different reaction time (3, 6, 12 and 24h). The properties of the prepared photocatalysts were investigated by means of UV-vis diffuse-reflectance spectroscopy (DRS), BET surface area measurements, scanning electron microscopy (SEM), X-ray diffraction analysis (XRD), and X-ray photoelectron spectroscopy (XPS). The results indicated that the efficiency of phenol degradation was related with a time of the solvothermal synthesis as determined for TiO₂_EAN(1:1)_24h sample. Microparticles of TiO₂_EAN(1:1)_3h formed during the only 3h of synthesis time revealed really high photoactivity under visible irradiation – 75%. This value increased to 80% and 82% after 12h and 24h, respectively. The photoactivity increase was accompanied by the increase of the specific surface area thus pores size, as well as ability to absorb UV-vis irradiation. The high efficiency of phenol degradation of IL-TiO₂ photocatalysts was ascribed to the interaction between the surface of TiO₂ and ionic liquid components (carbon and nitrogen).

Carbon nanotubes (CNTs) are effective supports for nano metals and together they represent hybrids that combine unique properties of both. A microwave induced reaction was used to deposit nano palladium on carboxylated and octadecylamine functionalized multiwall CNTs, which were used to carry out C-C coupling reactions in DMF and toluene. These hybrids showed excellent catalytic activity with yield as high as 99.8% while its enhancement with respect to commercially available Pd/C catalyst reached as high as 109%, and the reactions times were significantly lower. Polarity of the functionalized form was found to be a significant factor with the polar carboxylated CNT showing better activity in DMF while the relatively nonpolar octadecyl amine was better in toluene. The results suggest the possibility of tailor making functionalized CNT when used as catalyst supports

This work demonstrates that a plasmid can function as an efficient biocatalyst in mediating the nitroaldol (Henry) reaction at high temperatures in ultrapure water. Compared with ssDNA, the plasmid displayed a remarkable catalytic efficiency (97% yield within 20 min). Aromatic aldehydes which bear strong or moderate electron-withdrawing groups reacted satisfactorily with nitromethane, which afforded the corresponding β-nitroalcohols in good yields within 2 h (up to 98%). By contrast, aliphatic and aromatic aldehydes with electron-donating groups did not react. Moreover, the yield significantly dropped when the size of the carbanion increased, and the yield was only 10% when nitropropane was used as the donor.

We present a new mathematical model of disease spread reflecting specialties of covid-19 epidemic by elevating the role social clustering of population. The model can be used to explain slower approaching herd immunity in Sweden, than it was predicted by a variety of other mathematical models; see graphs Fig. \ref{GROWTH2}. The hierarchic structure of social clusters is mathematically modeled with ultrametric spaces having treelike geometry. To simplify mathematics, we consider homogeneous trees with $p$-branches leaving each vertex. Such trees are endowed with algebraic structure, the $p$-adic number fields. We apply theory of the $p$-adic diffusion equation to describe coronavirus' spread in hierarchically clustered population. This equation has applications to statistical physics and microbiology for modeling {\it dynamics on energy landscapes.} To move from one social cluster (valley) to another, the virus (its carrier) should cross a social barrier between them. The magnitude of a barrier depends on the number of social hierarchy's levels composing this barrier. As the most appropriate for the recent situation in Sweden, we consider {\it linearly increasing barriers.} This structure matches with mild regulations in Sweden. The virus spreads rather easily inside a social cluster (say working collective), but jumps to other clusters are constrained by social barriers. This behavior matches with the covid-19 epidemic, with its cluster spreading structure. Our model differs crucially from the standard mathematical models of spread of disease, such as the SIR-model. We present socio-medical specialties of the covid-19 epidemic supporting our purely diffusional model.

An efficient, eco-compatible and very cheap method for the construction of triazoles via eliminative azide–olefin cycloaddition (EAOC) reaction has been developed by a catalytic system IL/FeCl3, offering an highly regioselective approach to structurally diverse 1,5-disubstituted 1,2,3-triazoles in up to 95% yield. This strategy features the reuse of catalytic system through simple operations. Mechanistic studies indicated that an asynchronous concerted dipolar cycloaddition-elimination process might be involved.

For the past few decades, researchers have been intrigued with glassy polymers, which have applications ranging from gas separations to corrosion protection to drug delivery systems. The techniques employed to examine the sorption and diffusion of small molecules in glassy polymers are the subject of this review. Diffusion models in glassy polymers are regulated by Fickian and non-Fickian diffusion, with non-Fickian diffusion being more prevalent. The characteristics of glassy polymers are determined by sorption isotherms, and different models have been proposed in the literature to explain sorption in glassy polymers during the last few years. This review also includes the applications of glassy polymer. Despite having so many applications, current researchers still have difficulty in implementing coating challenges due to issues like as physical ageing, which is briefly discussed in the review.

This paper questions the potential shift of reproduction towards assisted reproductive technologies due to benefits provided by genetic manipulation of embryos. In order to examine the viability of such a shift and its implications from a regulatory perspective, we relied on two panels of experts from Israel and Spain, using the Delphi method and a series of in-depth interviews. We anticipate, at a first stage, a continuous-steady growth in the use of IVF, supplemented by preimplantation genetic diagnosis and the introduction of CRISPR/Cas. At a second stage, attracting a growing share of fertile people would require developments in genomics. While it is unclear whether these developments will fully materialize, they could be replaced by technoscientific imaginaries generating perceived benefits. We conclude that the regulation of reproductive genetics is becoming more critical and complex. The aim should be to ensure good practices and equity, while providing more information to the public. A broad and inclusive societal debate may overcome the difficulty of drawing a clear line between medical uses and non-medical uses of genetic selection and engineering and may contribute to finding the right balance between allowing autonomous decisions of patients and protecting the public interest.

Abstract: Coal bed methane (CBM) reservoirs are complex systems whose properties differ from those of conventional reservoirs. Coal seams are dual-porosity systems that comprise the porosities of the matrix and cleat system. Gas in the coal seams can be stored as free gas in the cleat system and as adsorbed gas in the porous medium. The flow mechanisms of the natural gas through the formation include desorption, diffusion, and Darcy’s flow regimes. The permeability of CBM reservoirs is more sensitive to pressure variations than conventional gas reservoirs. To study the flow behavior of CBM reservoirs it is mandatory to use a model that considers their unique characteristics. The objective of this study was to propose a physical and mathematical model of production performance for horizontal wells in CBM reservoirs whose permeability is dependent on pressure. A solution for the model was obtained by applying Pedrosa´s transformation, perturbation theory, Laplace transformation, the point source method, and Sthefest´s algorithm. The solution to this problem was validated with previous work thoroughly. The type curves of the model were built and the pressure transient behavior of the model was analyzed and discussed. The effects of several parameters on pressure behavior were also discussed.

Furfuryl alcohol (FA) is a biobased monomer derived from lignocellulosic biomass. The present work describes its polymerization in presence of protic polar solvents, i.e. water or isopropyl alcohol (IPA), using maleic anhydride (MA) as acidic initiator. The polymerization was followed from the liquid to the rubbery state by combining DSC and DMA data. In the liquid state, IPA disrupts the expected reactions during all the FA polymerization due to a stabilization of the furfuryl carbenium center. This causes the initiation of the polymerization at higher temperature, which is also reflected by higher activation energy. In water system, the MA opening allows to start the reaction at lower temperature. A higher pre-exponential factor value is obtained in that case. The DMA study of final branching reaction occurring in the rubbery state has highlighted continuous increase of elastic modulus until 290 °C. This increasing tendency of modulus was exploited to obtain activation energy dependences (Eα) of FA polymerization in the rubbery state.

Plant proteins being considered to become the most important protein source of the future, they must be able to replace the animal-derived proteins currently in use as technofunctional food ingredients. This poses challenges because plant proteins are oftentimes storage proteins with a high molecular weight and low water solubility. One promising approach to overcome these limitations is the glycation of plant proteins. The covalent bonding between the proteins and different carbohydrates created via the initial stage of the Maillard reaction can improve the technofunctional characteristics of these proteins without the involvement of potentially toxic chemicals. However, compared to studies with animal-derived proteins, glycation studies on plant proteins are currently still underrepresented in literature. This review provides an overview of the existing studies on the glycation of the major groups of plant proteins with different carbohydrates using different preparation methods. Emphasis is put on the reaction conditions used for glycation as well as the modifications to physicochemical properties and technofunctionality. Different applications of these glycated plant proteins in emulsions, foams, films, and encapsulation systems are introduced. Another focus lies on the reaction chemistry of the Maillard reaction and ways to harness it for controlled glycation and to limit the formation of undesired advanced glycation products. Finally, challenges related to the controlled glycation of plant proteins to improve their properties are discussed.

We have developed IrO_x/M-SnO₂ (M = Nb, Ta, and Sb) anode catalysts, IrO_x nanoparticles uniformly dispersed on M-SnO₂ supports with fused-aggregate structures, which make it possible to evolve oxygen efficiently, even with a reduced amount of noble metal (Ir) in proton exchange membrane water electrolysis. Polarization properties of IrO_x/M-SnO₂ catalysts for the oxygen evolution reaction (OER) were examined at 80 °C in both 0.1 M HClO₄ solution (half cell) and a single cell with a Nafion^® membrane (thickness = 50 μm). While all catalysts exhibited similar OER activities in the half cell, the cell potential (E_cell) of the single cell was found to decrease with the increasing apparent conductivities (σ_{app, catalyst}) of these catalysts: an E_cell of 1.61 V (voltage efficiency of 92%) at 1 A cm^-2 was achieved in a single cell by the use of an IrO_x/Sb-SnO₂ anode (highest σ_{app, catalyst}) with a low Ir-metal loading of 0.11 mg_Ir cm^-2 and Pt supported on graphitized carbon black (Pt/GCB) as the cathode, with 0.35 mg_Pt cm⁻². In addition to the reduction of the ohmic loss in the anode catalyst layer, the increased electronic conductivity contributed to decreasing the OER overpotential due to the effective utilization of the IrO_x nanocatalysts on the M-SnO₂ supports, which is an essential factor in improving the performance with low noble metal loadings.

The efficiency of performance in various sports has the development of certain specific skills at its core. In ice hockey, both the technical aspects (techniques, stance) and the cognitive ones (keeping attention on the puck, game strategy, etc.) are highly important. This study is aimed at the identification of specific features that determine the performance efficiency of professional hockey players. We used virtual reality (VR) to study the differences between professional ice hockey players and novices in terms of motor responses to the puck’s presentation on different levels of difficulty. The study involved 22 participants, 13 of them being professional ice hockey players (M_age=20±2.9; mean age of training experience М=14.18±3.8) and 9 being not experienced participants (M_age=20±1.4). The study showed that the stick response time of professional hockey players is significantly higher (0.98 ms vs 1.5 ms, p≤0.05) in more difficult situations close to a real game. Moreover, professionals proved to have more stable movement patterns of the knee and hip joints. They also make fewer head movements as a response to stimuli during all runs (0.66 vs 1.25, p≤0.05). Therefore, the results indicate specific spatial-temporal, technical and tactical, and energetic determinants, that ensure higher performance efficiency in hockey players

The theoretical limits of water sorbate based chemical sorption heat storage are investigated in this study. First, a classification of \textit{thermochemical heat storage} is proposed based on bonding typology. Then, thermodynamics of chemical solid/gas sorption is introduced. The analysis of the reaction enthalpy from the literature indicates that this value is only slightly varying for one mole of water. Using this observation, and with the help of thermodynamical considerations, it is possible to derive conclusions on energy efficiency of closed and open heat storage systems. Whatever the salt, the main results are 1) the energy required for evaporation of water is, at least, 65% of the available energy of reaction and 2) the maximum theoretical energy efficiency of the system is about 1.8.