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

MoS2 has long been considered as a promising catalyst for hydrogen production. At present, there are many strategies to further improve its catalytic performance, such as edge engineering, defect engineering, phase engineering and so on. However, at present, there is still a great deal of controversy about the mechanism of MoS2 catalytic hydrogen production. For example, it is generally believed that the base plane of MoS2 is inert, but it has been reported that the inert base plane can undergo a transient phase transition in the catalytic process to play the catalytic role, which is contrary to the common understanding that the catalytic activity is only at the edge. Therefore, it is necessary to further understand the mechanism of MoS2 catalytic hydrogen production. In this article, we summarized the latest research progress on the catalytic hydrogen production of MoS2, which is of great significance for revisited the mechanism of MoS2 catalytic hydrogen production.

Biohydrogen is a versatile energy carrier for the generation of electric energy from renewable sources. Hydrogenases can be used in enzymatic fuel cells to oxidize dihydrogen. The rate of electron transfer (ET) at the anodic side between the [NiFe]-hydrogenase enzyme distal iron-sulfur cluster and the electrode surface can be described by the Marcus equation. All parameters for the Marcus equation are accessible from DFT calculations. The distal cubane FeS-cluster has a three cysteine and one histidine coordination [Fe₄S₄](His)(Cys)₃ first ligation sphere. The reorganization energy (inner- and outer-sphere) is almost unchanged upon a histidine-to-cysteine substitution. Differences in rates of electron transfer between the wild-type enzyme and the all-cysteine mutant can be rationalized by a diminished electronic coupling between the donor and acceptor molecules in the [Fe₄S₄](Cys)₄ case. The fast and efficient electron transfer from the distal iron-sulfur cluster is realized by a fine-tuned protein environment which facilitates the flow of electrons. This study enables the design and control of electron transfer rates and pathways by protein engineering.

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

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

We present a critical analysis of the mechanism of reversible hydrogen evolution reaction based on thermodynamics of hydrogen processes considering atomic and ionic species as intermediates. Clear distinction between molecular hydrogen evolution/oxidation (H$_2$ER and H$_2$OR) and atomic hydrogen evolution/oxidation (HER and HOR) reactions is made. It is suggested that the main reaction describing reversible H$_2$ER and H$_2$OR in acidic and basic solutions is: $\ce{H3O^+} + 2e^- \xrightleftharpoons{\mathrm{({H}_{2}^{+}})_{ad}} \ce{H2} + \ce{OH^-}$, which proceeds via the formation of hydrogen molecular ion as intermediate and its potential is $E^{0}$ = 0.414~V (at the standard Hydrogen electrode SHE scale). We analyse experimentally reported data with models which provide \emph{quantitative} match (R.J.Kriek et al., Electrochem. Sci. Adv. e2100041 (2021)). The experimentally observed slope of $\lg(Current)$ vs. $Potential$ equal to $\approx 30$~mV/dec corroborates the presented model of H$_2$ER/H$_2$ER based on \ce{H2$^+$} as intermediate.

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

Isobaric ions having the same mass-to-charge ratio cannot be separately identified by mass spectrometry (MS) alone, but this limitation can be overcome using hydrogen-deuterium exchange (HDX) in microdroplets. Because isobaric ions may contain a varied number of exchangeable sites and different types of functional groups, each one produces a unique MS spectral pattern after droplet spray HDX without the need for MS/MS experiments or introduction of ion mobility measurements. As an example of the power of this approach, isobaric ions in urinary metabolic profiles are identified and used to distinguish between healthy individuals and those having bladder cancer.

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

Amid global energy challenges, hydrogen evolution reaction (HER) is gaining traction for green hydrogen production. While catalyst research is ongoing, recognizing electrolyte effects remains crucial for sustainable hydrogen production via renewable-powered water electrolysis. This review delves into the intricate effects of electrolytes on the kinetics of HER. It examines key factors, including pH, cations, anions, impurities, and electrolyte concentration. It is discussed that electrolyte pH alters catalyst-electrolyte interactions and proton concentrations, thereby influencing factors such as hydrogen binding energy, water adsorption, and the overall reaction kinetics. Moreover, it is briefed that electrolyte cations, such as Li+, can impact HER positively or negatively, offering opportunities for improvement based on the metal substrate. Interestingly, there is a potential that HER can be tuned using Li+ ions to modify M-H bond energy, demonstrating flexibility beyond pH levels and counter ions. Varied adsorption energies of metal cations on metal electrodes are also found to influence HER kinetics. The effects of electrolyte anions and impurities are also discussed, emphasizing both positive and negative impacts on HER kinetics. Moreover, it is pointed out that the electrolyte engineering approach enhances the HER kinetics of both metal and carbon-based electrodes without permanent catalyst surface modifications. This review underscores the importance of electrolyte composition, highlighting both challenges and potential solutions in advancing HER research for sustainable energy production.

Bottom-up synthesis of porous NiMo alloy reduced by NiMoO₄ nanofibers was systematically investigated to fabricate non-noble metal porous electrodes for hydrogen production. The different annealing temperatures of NiMoO₄ nanofibers under hydrogen atmosphere reveal that the 950 °C annealing temperature is a key to produce bicontinuous porous NiMo alloy without oxide phases. The porous NiMo alloy as cathodes in electrical water splitting demonstrates not only almost identical catalytic activity with commercial Pt/C in 1.0 M KOH solution, but also superb stability for 12 days at an electrode potential of −200 mV (v.s. RHE).

Exergy analysis evaluates the efficiency of system components by quantifying the rate of entropy generation. In general, the exergy destruction rate or irreversibility rate was directly obtained through the exergy-balance equation. However, this method cannot determine the origin of the component's entropy generation rate, which is a very important factor in system design and improvement. In this study, a thorough energy, exergy thermoeconomic analysis of a proton exchange membrane fuel cell (PEMFC) was performed, providing the heat transfer rate, entropy generation rate and cost loss rate of each component. The irreversibility rate of each component is obtained by the Gouy-Stodolar theorem. Detailed and extensive exergy and thermoeconomic analyses of PEMFC system have determined that water cooling units experience the greatest heat transfer among the components in the studied PEMFC system, resulting in the greatest irreversibility and thus the greatest monetary flow loss.

Anion exchange membrane (AEM) electrolysis is hampered by two main issues: stability and performance. Focusing on the latter, this work demonstrates a highly active NiMo cathode for hydrogen evolution in AEM electrolysis. We demonstrate an electrolyzer performance of 1 A cm⁻² at 1.9 V (total cell voltage) with a NiMo loading of 5 mg cm⁻² and an iridium black anode in 1 M KOH at 50 °C, that may be compared to 1.8 V for a similar cell with Pt at the cathode. The catalysts developed here will be significant in supporting the pursuit of cheap and environmentally friendly hydrogen fuel.

Hydrogen has a leading role in accomplishing a net zero green-house gas emission future. Today’s challenge is producing green hydrogen to cover the fuel demand of transportation and industry, to gain independence from fossil fuels. This review’s goal is to demonstrate critically the existing methods of biomass treatment and assess their ability to scale up. Biomass is an excellent hydrogen carrier and biomass-derived processes are the main target for hydrogen production as it is an innovative pathway to green hydrogen production. Comparing the existing processes, thermochemical treatment is found to be far more evolved than biological or electrochemical treatment especially with regard to scaling prospects.

Hydrogen is now recognized as the primary alternative to fossil fuels due to its renewable, safe, high energy density and environmentally friendly properties. Efficient hydrogen production through water splitting has laid the foundation for sustainable energy technologies. However, when hydrogen production is scaled up to industrial levels, operating at high current densities introduces unique challenges. It is necessary to design advanced electrocatalysts for hydrogen evolution reaction (HER) under high current densities. This review will briefly introduce chal-lenges posed by high current densities on electrocatalyst, including catalystic activity, mass dif-fusion and catalyst stability. In an attempt to address these issues, various electrocatalyst design strategies are summarized in detail. In the end, our insights into future challenges for efficient large-scale industrial hydrogen production from water splitting are presented. This review is expected to guide the rational design of efficient high current density water electrolysis electro-catalysts and promote the research progress of sustainable energy.

Intermolecular interactions are the fabrics underlying almost all processes in living organisms, where two cornerstone concepts, intermolecular binding affinity (K d ) and binding energy (ΔG), have long been established to physically describe the strengths of biomolecular interactions, e.g., drug-target K d and ΔG to describe the strength of drug-target interaction. The past two-three years saw a big step forward in the use of artificial intelligence (AI) in structural biology (e.g., AlphaFold for protein structure prediction) and drug discovery & design. In light of the roles of K d and ΔG in drug discovery & design, the speed of this AI progress raises a question of what’s next for its practical application in the pharmaceutical industry, in addition to a system-wide account of biomolecular structures and motions. Last August, the concept of a general intermolecular binding affinity calculator (GIBAC) was for the first time coined and proposed in an MDPI-published preprint. Here, this article puts forward an updated conceptual and practical framework of GIBAC, including its inception, definition, construction, practical applications, technical challenges and limitations, and future directions. Moreover, this article argues that the time is now ripe for the construction of such an accurate, precise and efficient GIBAC to be on the agenda of the entire drug discovery & design community, to ensure its applicability & reliability, and to enhance its value in drug R&D in future.

Transition metal alloys have emerged as promising electrocatalysts due to their ability to modulate key parameters such as d-band electron filling, Fermi level energy, and interatomic spacing, thereby influencing their affinity towards reaction intermediates. However, the structural stability of alloy electrocatalysts during alkaline hydrogen evolution reaction (HER) remains a subject of debate. In this study, we systematically investigate the structural evolution and catalytic activity of the c-Co/Co3Mo electrocatalyst under alkaline HER conditions. We reveal that the instability of the Co3Mo alloy and H0.9MoO3 during alkaline HER leads to the destruction of the crystal structure, resulting in the formation of hexagonal cobalt (h-Co) from hexagonal Co(OH)2 as an intermediate species. Furthermore, we explore the re-adsorption and surface coordination of the Mo element, which enhances the catalytic activity for alkaline HER. This work provides valuable insights into the dynamic behavior of alloy-based electrocatalysts, shedding light on their structural stability and catalytic activity during electrochemical reduction processes

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

Hydrogen energy is regarded as an auspicious future substitute to replace fossil fuels, because of its environmentally friendly characteristics and high energy density. In the pursuit of clean hydrogen production, there has been a significant focus on the advancement of effective electrocatalysts for the process of water splitting. Although noble metals like Pt, Ru, Pd and Ir are superb electrocatalysts for the hydrogen evolution reaction (HER), they have limitations for large-scale applications, mainly high cost and low abundance. As a result, non-precious transition metals have emerged as promising candidates to replace their more expensive counterparts in various applications. This review focuses on recently developed transition metal phosphides (TMPs) electrocatalysts for the HER in alkaline media due to the cooperative effect between the phosphorus and transition metals. Finally, we discuss the challenges of TMPs for HER.

Nickel foam substrates are frequently utilised for renewable energy applications as porous 3D-substrates. Preparation of these substrates usually includes an acid washing step, however the degree to which this step affects the final electrochemical performance after spray coating a catalyst ink is unreported. Herein, we report the effect of acid washing through physicochemical and electrochemical characterisation. The electrochemical performance was determined by repeated measurements of catalyst-coated nickel foam substrates both with and without the initial step of acid washing. Acid washing increased current density by 17.9% for the acid treated, MoS2-coated nickel foam electrode. This increment was affiliated with an electrochemically active surface area which increased by 87.1%, where Tafel analysis indicated that the acid treated, MoS2-coated electrodes facilitates the initial water dissociation step of the hydrogen evolution reaction with greater ease. Similar effects were also discovered for acid treated PtIr(1:3)/C-coated nickel foam substrates, albeit with less pronounced effects. Stability was also improved where the degradation rate was reduced by 18.9% for the acid treated, MoS2-coated electrodes. This proves the utility of acid washing nickel foam electrodes.

A systematic study has been conducted on barbiturate complexes of all five alkali metals Li–Cs prepared from the metal carbonates or hydroxide in aqueous solution without other potential ligands present, varying the stoichiometric ratio of metal ion to barbituric acid (BAH). Eight polymeric compounds (two each for Na, K, and Rb and one each for Li and Cs) have been characterised by single-crystal X-ray diffraction. All contain some combination of barbiturate anion BA− (necessarily in a 1:1 ratio with the metal cation M+), barbituric acid, and water. All organic species and water molecules are coordinated to the metal centres via oxygen atoms as either terminal or bridging ligands. Coordination numbers range from 4 (for the Li complex) to 8 (for the Cs complex). Extensive hydrogen bonding plays a significant role in all the crystal structures, almost all of which include pairs of N–H…O hydrogen bonds linking BA− and/or BAH components into ribbons extending in one dimension. Factors influencing the structure adopted by each compound include cation size and reaction stoichiometry as well as hydrogen bonding.

Lactoperoxidase (LP), which is a high-value minor whey protein, has recently drawn extensive attention from research scientists and industry due to its multi-function and potential therapeutic applications. In this study, the separation and optimization of two similar-sized proteins, LP and lactoferrin (LF) were investigated using strong cation exchange column chromatography. Optimization was started with central composite design based experiments to characterize the importance of different decision variables. The three variables used in the optimization were flow rate, length of gradient and final salt concentration in the linear elution gradient step. The obtained empiric functional model represented the effect of the significant factors on the yield as the objective function. Afterwards, the calibrated mechanistic model was employed to predict accurate optimal set of variables. The optimal operating points were found and the results were compared with validation experiments. Predictions respecting yield confirmed a very good agreement with experimental results while keeping purity, a product quality characteristic, equal or above to a predefined value.

Clausius’ virial theorem set a basis for relating kinetic energy in a body of independent material particles to its potential energy, pointing to their complementary role with respect to the second law of maximum entropy. In action mechanics, expressing the entropy of ideal gases as a capacity factor for sensible heat or enthalpy plus the configurational work to sustain the relative translational, rotational and vibrational action yields algorithms for estimating chemical reaction rates and positions of equilibrium. All properties of state including entropy, work potential as Helmholtz and Gibbs energies and activated transition state reaction rates can be estimated, using easily accessible molecular properties, such as atomic weights, bond lengths, moments of inertia and vibrational frequencies. Understanding how Clausius’ virial theorem balances the internal kinetic energy with field potential energy justifies partitioning between thermal and statistical properties of entropy, yielding a more complete view of the evolutionary nature of the second law of thermodynamics. The ease of performing these operations is illustrated by three important chemical gas phase reactions, the reversible dissociation of the hydrogen molecules, lysis of water to hydrogen and oxygen and the reversible formation of ammonia from nitrogen and hydrogen. Employing the ergal also introduced by Clausius to define the reversible internal work to overcome molecular interactions plus the configurational internal work of negative Gibbs energy as a function of volume or pressure may provide a practical guide for managing risk in industrial processes and climate change at the global scale.

Green synthesis of silver nanoparticles (AgNPs) using raw Whey has never been reported. Silver nanoparticle formation involves a reduction reaction of silver salt solution with Whey extract. Extract and metal salt concentrations, and temperature can control this reaction. In this work, incubation period, extract, AgNO3, and NaOH concentrations were used as the independent factors using central composite design under response surface methodology. The aim was to elucidate the influence these factors have on the measured UV-Vis absorption spectra fitted with a Voigt function, and to optimize the conditions for nanoparticle formation. The fitting parameters, peak wavelength (λ0), peak area (A), and Full Width at Half Maximum (FWHM), were the responses. Silver nanoparticle formation was only possible in an alkaline environment (pH 10). The peak wavelength and the FWHM are influenced mainly by extract and AgNO3 concentrations. In contrast, the peak area is influenced by a total of 33.54 % from the interaction terms of AgNO3 and extract concentrations with NaOH. Metallic AgNPs were formed for the following parameter ranges: a) Whey (0.4 – 1.6 % v/v), b) AgNO3 (0.15 – 0.6 mM), c) NaOH (10 – 50 mM), and d) Time (20 – 60 min). Silver oxide nanoparticles were also observed.

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

As marine traffic is contributing to pollution and mostly have predictable route with repetitive load profiles, to reduce their impact on environment, hybrid system with proton exchange membrane fuel cells (PEMFC-s) and battery pack, is promising replacement. For this purpose, the numerical model of repowered existing vessel that have two diesel engines with 300 kWe is developed. The goal of this paper is to develop numerical model which analyzes and determine equivalent hybrid ship propulsion system for known traveling route. The developed numerical model consists of an interconnected system with PEMFC stack and battery pack as power sources. Numerical model is developed and optimized to meet minimal required power demand for successful route demand, which has variable loads and daily sails six-time same voyage- in total 54 nautical miles. The results have shown that equivalent hybrid power system consists of 300 kWe PEMFC stack and battery pack with 424 kWh battery and state of charge varying between 20 and 87%. To power this new hybrid power system, hydrogen tank of 7200 l holding 284.7 kg at pressure of 700 bar is needed, compared to previous system that spend 1524 kg of diesel and generate 4886 kg of CO2.

The concept of a Social License to Operate (SLO) has become increasingly important in the sustainability literature in recent years. Having its origins in the business discourse of the mining industry with respect to limiting opposition to mining projects, the notion of a social contract above and beyond legal requirements has since become applied across a number of different industries. Despite the concepts adoption confusion exists over the practices and outcomes of SLO, and particularly the nature of engagement. Given this situation it is surprising that not more attention to the role of marketing, and social marketing in particular, in operationalizing the concept. The paper discusses the potential of social marketing to contribute to SLO. Economic, political and social relations are complex in SLO and exchange is intricate in such relational environments. A community-based social marketing orientation is proposed as a means to improve exchange relations and enhance engagement. Seven models of SLO related social marketing models are discussed with community-based social marketing and adaptive co-marketing models being regarded as the most positive for the achievement of an SLO. Potential barriers to adoption of these approaches are noted.

The spectra and global distributions of the X-ray emissions generated by the solar wind charge-exchange (SWCX) process in the terrestrial magnetosheath are investigated based on a global hybrid model and a global geocoronal hydrogen model. The solar wind O6+ ions which are the primary charge state for oxygen ions in solar wind are considered. The line emissivity of the charge-exchange born O5+ ions are calculated by Spectral Analysis System for Astrophysical and Lab oratory (SASAL). It is found that the emission lines from the O5+ ranges from 105.607 to 118.291 eV with the strong line at 107.047 eV. We then simulated the magnetosheath X-ray emission intensity distributions with a virtual camera at two positions of north pole and dusk at six stages during the passing of a perpendicular interplanetary shock combined with a tangential discontinuity structure through the Earth’s magnetosphere. During this process, the X-ray emission intensity increases with time, and the maximum value is 27.11 keV cm-2 s-1 sr-1 on the dayside, which is 4.5 times that before the solar wind structure reaches the Earth. A clear shock structure can be seen in the magnetosheath and moves earthward. The maximum emission intensity seen at dusk is always higher than that seen at north pole.

Turner syndrome (TS) is caused by a complete or partial absence of an X or Y chromosome, including chromosomal mosaicism, affecting 1 in 2,500 female live births. Sister chromatid exchange (SCE) is used as a sensitive indicator of spontaneous chromosome instability. Cells from mosaic patients constitute useful material for SCE evaluations as they grow under the influence of the same genetic background and endogenous and exogenous factors. We evaluated proliferation dynamics and SCE frequencies of 45,X and 46,XN cells of 17 mosaic TS patients. In two participants, 45,X cells exhibited a proliferative disadvantage in relation to 46,XN cells after 72h of cultivation. The analysis of mean PI showed significant differences between 45,X and 46,XN lineages; however there were no intraindividual differences. On the other hand, mean SCE frequencies showed no differences between the two lineages, but there were intraindividual differences in 5 patients. The absence of mean SCE frequency differences between 45,X and 46,XN lineages may indicate that both were equally unstable, as more than 70% of the 46,XN lineages had an anomalous karyotype. However, 46,XN had a higher mean PI, suggesting that the amount of cells with a karyotype distinct from 45,X may increase with time in mosaic TS women.

As new vaccines reduce P. falciparum (Pf) cases, clinicians can focus on rescuing more children with cerebral malaria (CM). Adjunctive “therapeutically-rational exchange transfusion” (T-REX) refers to using special “Pf-resistant” donor red blood cells (RBCs) that secrete nano-sized RBC extracellular vesicles (EVs). Can some RBC EVs rapidly dislodge Pf-infected RBCs (iRBCs) sequestered in blood vessels and reduce inflammation? Does post-exchange “rebound parasitemia” reflect sequestration-reversal? We reviewed case-reports, EV and liposome studies, expert perspectives, and time-sequence data. In the AQUAMAT study, median coma-recovery time was 20 hours for artesunate. In contrast, a CM patient treated with type-O T-REX quickly began speaking (during the procedure). For other rapid-recovery CM patients, donor RBC variables had not been specified. Despite rapid Pf-killing, drugs need 20 hours to substantially reduce iRBC cytoadhesion while EVs can selectively bind distant inflamed tissues within 15 minutes. RBCs stressed by blood-bank storage and Pf infection secrete EVs. Post-exchange “rebound parasitemia” can occur within 60 minutes and may reflect release of sequestered iRBCs. Sequestration-reversal can be assessed by monitoring Pf parasitemia and total Pf biomass. New data suggest clinicians, working with transfusion- and laboratory-medicine physicians, can, and should, assess T-REX options and publish their findings to help clarify how RBC EVs may serve as therapeutic “decoy ligands.”

Reactions of quinones with compounds containing an amino group can produce a wide variety of addition or substitution products that depend on reactivity of both quinone and amino derivative. 6,7-Dichloropyrido[1,2-a]benzimidazole-8,9-diones undergo selective nucleophilic substitution reaction with different benzohydrazides and α-hydroxy-p-quinone imine derivatives stabilized by strong intramolecular hydrogen bond were isolated. Synthesized compounds represent a combination of several structural motifs: benzimidazole core fused with α-hydroxy-p-quinone imine which contains a benzamido fragment. The protonation/deprotonation processes were investigated in a solution using UV-Vis spectroscopy and 1H NMR titration experiment. X-ray crystallography analysis revealed a set of weak non-covalent interactions such as intra- and intermolecular hydrogen bonds and π-π stacking. Additionally, the redox behavior of 6,7-dichloropyrido[1,2-a]benzimidazole-8,9-dione and its p-imino derivative was investigated in acidic and neutral environment using cyclic voltammetry measurements. Cathode material based on 6,7-dichloropyrido[1,2-a]benzimidazole-8,9-dione could act as potential effective active electrode in aqueous electrolyte batteries, however further optimization is required.

The article delves into the crucial realm of compressing hydrogen in its gaseous state, a pivotal process for enhancing its viability in both civil and industrial sectors. The study initiates by providing a concise overview and comparison of diverse hydrogen storage methodologies, laying the groundwork with an in-depth analysis of hydrogen's thermophysical properties. It scrutinizes plausible configurations for hydrogen compression, aiming to strike a delicate balance between energy consumption, predominantly derived from the fuel itself, and the requisite number of compression stages. Notably, to render hydrogen storage competitive in terms of volume, pressures of at least 350 bar are deemed essential, albeit at an energy cost amounting to approximately 10% of the fuel's calorific value. Multi-stage compression emerges as a crucial strategy, not solely for energy efficiency, but also to curtail temperature rise, with an upper limit set at 200°C. This nuanced approach is underlined by the exploration of compression levels commonly cited in the literature, particularly 350 bar and 700 bar. Ultimately, the study advocates for a three-stage compression system as a pragmatic compromise, capable of achieving high-pressure solutions while keeping compression work below 10 MJ/kg, a threshold indicative of sustainable energy utilization.

Multi-rotor drones, a kind of unmanned equipment which is widely used in military, commercial consumption and other fields, has been developed very rapidly in recent years. However, their short flight time has hindered the expansion of their application range. This can be addressed by utilizing hydrogen fuel cells, which exhibit high energy density, strong adaptability to ambient temperature, and no pollution emissions, as the power source. Accordingly, the application of hydrogen fuel cells as the power source in multi-rotor drones is a promising technology that has attracted significant research attention. This paper summarizes the development process of hydrogen fuel cell mul-ti-rotor drones and analyzes the key obstacles that need to be addressed for the further development of hydrogen fuel cell multi-rotor drones, including structural lightweight, hydrogen storage methods, energy management strategies. Additionally, prospects for the future development of hydrogen fuel cell multi-rotor drones are presented.

: In the realm of data management, data preservation stands as a critical undertaking aimed at preserving and upholding the integrity of data. Regardless of whether it concerns personal or enterprise data, the detrimental effects of malicious alterations implemented by attackers cannot be overlooked. Particularly in conventional industrial control environments, the prevalent practice involves the transmission of data from sensors to databases for storage purposes. However, it is essential to recognize that this process exposes the data to various vulnerabilities. Thus, to ensure the long-term security and reliability of the data, it becomes imperative to implement robust data preservation strategies within these industrial control systems. However, the reliance of these databases on physical hard disks introduces inherent vulnerabilities, including the potential for data loss due to disk damage or targeted malicious attacks. Consequently, it becomes imperative to prioritize the implementation of robust data preservation measures. These measures are crucial in mitigating the risk of disruptions and protecting critical data from compromise. By establishing effective data backup systems, employing advanced security protocols, and implementing proactive monitoring mechanisms, organizations can bolster their data preservation capabilities and safeguard against potential threats to data integrity and availability. As a result, many enterprises opt to store their data with third-party providers to ensure data integrity. However, this approach carries inherent risks. If the third-party service experiences an attack or if the data is tampered with, it becomes challenging to verify the integrity of the data. To address these concerns and ensure data preservation within the context of the Internet of Things (IoT), a growing number of individuals are integrating IoT with Distributed Ledger Technology (DLT). By leveraging DLT, the integrity of data can be ensured, reducing reliance on centralized third-party storage and enhancing security in the IoT ecosystem. In this article, IOTA is the DLT, which employs Directed Acyclic Graph (DAG) to store transaction information. Compared to Ethereum or other blockchain technologies, IOTA offers notable advantages in terms of transaction verification speed, making it highly suitable for real-time IoT environments. However, the conventional transmission path from sensors to IOTA nodes entails a complex route, involving multiple hardware devices before reaching the intended destination. This complexity poses challenges in ensuring data integrity during transmission and introduces vulnerabilities such as man-in-the-middle attacks or SQL injection attacks. To address these issues, we propose a method to streamline the transmission path between sensors and IOTA, specifically tailored for industrial fields with numerous IoT devices. Our approach involves preprocessing the data stored on the server using our method before uploading, ensuring data confidentiality, and leveraging IOTA to guarantee data integrity. To achieve the shortest path between IoT and DLT nodes, it becomes necessary to establish IOTA nodes on lower-level devices, such as Raspberry Pi or IoT controllers. By simplifying the transmission path, we can reduce the potential for tampering and enhance overall data security. Implementing our proposed method enables the assurance of data confidentiality and integrity during both transmission and storage on the server, strengthening the trustworthiness of the IoT, and IOTA integration.

Bio-molecular reagents like antibodies required in experimental biology are expensive and their effectiveness, among other things, is critical to the success of the experiment. Although such resources are sometimes donated by one investigator to another through personal communication between the two, there is no previous study to our knowledge on the extent of such donations, nor a central platform that directs resource seekers to donors. In this paper, we describe, to our knowledge, a first attempt at building a web-portal titled Bio-Resource Exchange that attempts to bridge this gap between resource seekers and donors in the domain of experimental biology. Users on this portal can request for or donate antibodies, cell-lines and DNA Constructs. This resource could also serve as a crowd-sourced database of resources for experimental biology. Further, in order to index donations outside of our portal, we mined scientific articles to find instances of donations of antibodies and attempted to extract information about these donations at the finest granularity. Specifically, we extracted the name of the donor, his/her affiliation and the name of the antibody for every donation by parsing the acknowledgements sections of articles. To extract annotations at this level, we propose two approaches – a rule based algorithm and a bootstrapped relation learning algorithm. The algorithms extracted donor names, affiliations and antibody names with average accuracies of 57% and 62% respectively. We also created a dataset of 50 expert-annotated acknowledgements sections that will serve as a gold standard dataset to evaluate extraction algorithms in the future. Contact: [email protected], [email protected] Database URL: http://tonks.dbmi.pitt.edu/brx Supplementary information: Supplementary data are available at Database online.

This study investigates the influence of adding hydrogen as an additive to gasoline in a four-stroke engine, utilizing a comprehensive thermodynamic comparative analysis conducted with self-developed engine model. The research aims to assess the performance, emissions, and efficiency of the engine when using gasoline-hydrogen blends, and to provide insights into the potential benefits of this approach. First the engine performance and emissions under different hydrogen blending levels were examined. A range of different air-to-fuel ratios (rich to lean) and varying percentages of hydrogen were considered. This systematic variation allowed for a detailed evaluation of the influence of hydrogen content on combustion efficiency, power out-put, and emissions characteristics. The analysis results included key parameters such as indicated specific fuel consumption and mean effective pressure. Additionally, the study focused on range prediction of nitrogen oxides (NOx) emissions, which are a critical environmental concern asso-ciated with internal combustion engines. The analysis of pressure and temperature profiles throughout the engine cycle shed light on the combustion characteristics and efficiency im-provements associated with hydrogen addition. In terms of emissions, the study projected that all emissions were reduced except NOx, which is highly dependent on hydrogen percentage, and it might be reduced in some cases, but with higher temperatures and pressures associated with hydrogen addition in most cases there is actually NOx increase, especially at higher engine loads.

This paper describes a novel concept of producing energy efficient ”Maroon enriched natural gas “ and then Pink hydrogen” from any hydrocarbon base. The key idea is the extraction of hydrogen from water in addition to that from the hydrocarbon in an optimal fashion. This has the benefit of higher water vapor to CO2 exhaust ratio than conventional carbonaceous fuels when generating energy via combustion, a prudent step in achieving Netzero goals in a shorter time, and creating energy independence in most places.. The process of production makes concentrated CO₂ available for use and or sequestration. The process also maximizes use of renewable electricity in hydrogen generation, and maximizes use of existing infrastructure, with a minimum capital cost by energy recycle in the process. The process design applies sound thermodynamic principles which evolved during the nineteenth century, and mimics the geochemical processes going on in some of the natural 'colorless hydrogen'.

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

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

Exogenous RNA comprises the genetic material associated with several diseases which require immediate treatment, and thus mechanisms to hinder intracellular translation and reproduction of RNA viral agents are of great importance. Applying recent developments from this lab in methods relating to the interaction of DNA with steroid hormones, cyclic compounds are presented for intermolecular binding to nucleic acids. The requirements to achieve binding with RNA nucleotide pairs are described, which involve at a minimum functional elements positioned to interact with the lateral phosphate groups for each of the RNA strands through coupling with a positively charged ion, such as Mg2+, Ca2+, or Zn2+ ions; and an intermolecular hydrogen bond with the oxygen element of uracil at the carbon two location. Additional features of the binding molecules are examined for enhancements and differentiation in binding capability and include aromatic groups that have both a structural role of steric hindrance and a functional role to stabilize the binding mechanisms. Several categories of cyclic compounds are associated to have specific binding capabilities, and the interaction of these structures with potential receptor molecules are evaluated for assessment in delivery and binding of the compound to nucleic acids.

Thymidylate synthase (TYMS) is an essential enzyme for the de novo synthesis of dTMP and has been a primary target for cancer chemotherapy. Although the physical structure of TYMS and the molecular mechanisms of TYMS catalyzing the conversion of dUMP to dTMP have been conducted thorough studies, oligomeric structure remains unclear. Here, we show that human TYMS not only exists in dimer but also octamer by intermolecular Cys43-disulfide formation. We optimize the expression condition of recombinant human TYMS using Escherichia coli system. Using HPLC-MS/MS, we show that purified TYMS has catalytic activity for producing dTMP. In the absence of reductant β-mercaptoethanol, SDS-PAGE and size exclusion chromatography (SEC) showed size of TYMS protein is about 35 KDa, 70 KDa, and 280 KDa. While the Cys43 was mutated to Gly, the band of ~280 KDa and the peak of octamer disappeared. Therefore, TYMS was determined to form octamer, dependent on the presence of Cys43-disulfide. By measuring Steady-State Parameters for monomer, dimer and octamer, we found the k_cat of octamer is increased slightly than monomer. On the basis of these findings, we suggest that octamer in the active state might have a potential influence on the design of new drug targets.

Herein we report on the use of different metal precursors in the synthesis of MoSe2 nanomaterials in order to control their morphology. The use of Mo(CO)6 as the metal precursor resulted in the formation of wrinkled few-layer nanosheets, while the use of H2MoO4 as the metal precursor resulted in the formation of nanoflowers. To investigate the effect of the morphologies on their performance as catalysts in the hydrogen evolution reaction, electrochemical characterization was done using linear sweep voltammetry, cyclic voltammetry and impedance spectroscopy. The MoSe2 nanomaterials were found to have superior electrochemical performance towards the hydrogen evolution reaction with a lower Tafel slope, on-set potential and potential at 10 mA/cm2 compared to the wrinkled few-layer nanosheets. This was found to be due to the higher effective electrochemical surface area of the nanoflowers compared to the nanosheets which suggests a higher number of exposed edge sites in the nanoflowers.

How complex morphological patterns form is an intriguing question in developmental biology. However, the mechanisms that generate complex patterns remain largely unknown. Here we sought to identify the genetic mechanisms that regulate the tan (t) gene in a multi-spotted pigmentation pattern on the abdomen and wings of Drosophila guttifera. Previously, we showed that yellow (y) gene expression completely prefigures the abdominal [1] and wing [2] pigment patterns of this species. In the current study, we demonstrate that the t gene is co-expressed with the y gene in nearly identical patterns, both transcripts foreshadowing the adult abdominal and wing melanin spot patterns. We identified cis-regulatory modules (CRMs) of t, one of which drives reporter expression in six longitudinal rows of spots on the developing pupal abdomen, while the second CRM activates the reporter gene in a spotted wing pattern. Comparing the abdominal spot CRMs of y and t, we found a similar composition of putative transcription factor binding sites that are thought to regulate the complex expression patterns of both terminal pigmentation genes y and t. In contrast, the y and t wing spots appear to be regulated by distinct upstream factors. Our results suggest that the D. guttifera abdominal and wing melanin spot patterns have been established through the co-regulation of y and t, shedding light on how complex morphological traits may be regulated through the parallel coordination of downstream target genes.

One of the factors in the mobility of a nation's economy is the stock exchange which plays a decisive role in sustainable economic development. Accordingly, and for the special place of the stock exchange in the economy, we decided to investigate the relationship between the interest and exchange rates and the Tehran stock exchange dividend and price index (TEDPIX). Using the autoregressive distributed lag method, the present study is conducted utilizing the annual data over the period of 1991 to 2020. The results indicate that the exchange rate has a positive long-run relationship with the TEDPIX, but no statistically significant relationship was found between the TEDPIX and the interest rate. Furthermore, the results of the estimation of the error correction model show that 30.786% of the disequilibrium in each period is adjusted to the long-run equilibrium.

In this study the impact of terrorist attacks on exchange rate is estimated. Particularly, the study focuses on Turkish terrorist attacks and its implication on Turkish lira versus pound sterling exchange rate. In order, to find the causal effect the study employed Autoregressive distributive lag (ARDL) bound testing approach as an estimation technique. Accordingly, the analysis reveals that terrorist attack has a negative impact on the exchange rate in both short and long-run. However, the negative effect of terrorism tends to be small in both the short-run and long-run. More precisely, terrorist attack depreciates the exchange rate between Turkish lira and pound sterling by approximately 0.00072 in the next trading day. The long-term effect also shows that terrorist attack depreciates the exchange rate on average by 0.00212.

Two polyurethanes (PUs) were similarly synthesized by reacting a cycloaliphatic isocyanate with 1,4 butanediol and two polyols of different nature (polyester, polycarbonate diol) with molecular weights of 1000 Da. The PU made with polycarbonate diol polyol (YCD) was the only showing intrinsic self-healing at 20 °C. For assessing the mechanism of intrinsic self-healing of YCD, a structural characterization by molecular weights determination, infrared and X-ray photoelectronic spectroscopies, differential scanning calorimetry, X-ray diffraction, thermal gravimetric analysis and dynamic mechanical thermal analysis was carried out. It was concluded that the self-healing at 20 °C of YCD was due to non-covalent dynamic exchange interactions among the carbonate groups of the soft segments. Therefore, the chemical nature of the polyol played a key role in developing PUs with intrinsic self-healing at 20 °C.

Modern exchange theories model a large market, but do not explain single exchange. The paper considers the phenomenon of single exchange and formulates the general exchange problem in the form of a system of two equations, subjective and objective. Subjective equilibrium is given by the Walras-Jevons marginal utility equation. Objective equilibrium equations by Walras and Jevons are averaged over all transactions in the market and can only give a rough general picture without explaining the specific price of an individual exchange. An exchange micro-condition must be found that, when averaged, will give the Walras market equilibrium macro-condition. The study of the internal structure of exchange leads to the need to consider power. The concept of generalized power is introduced. It is generalized power that serves as the primary comparable and measurable objective basis of exchange. The power theory of exchange provides the objective price-equation. It is demonstrated that money is a measure of generalized power in exchange and a certification of generalized power in subsequent exchanges. The proposed theory is able to uniformly explain any exchange, including a single one, which is impossible with the existing theories of exchange.

Liquid-liquid phase separation (LLPS) of proteins has been found ubiquitously in eukaryotic cells, critical in the controlling of many biological processes through forming a temporary condensed phase with different bimolecular components. TDP-43 is recruited to stress granules in cells and is the main component of TDP-43 granules and proteinaceous amyloid inclusions in patients with amyotrophic lateral sclerosis (ALS). TDP-43 low complexity domain (LCD) is able to demix in solution forming the protein condensed droplets. The molecular interactions regulating its LLPS were investigated at the protein fusion equilibrium stage, where the droplets stopped growing. We found the molecules in the droplet were still liquid-like but with enhanced intermolecular helix-helix interaction in the LCD. The protein would start to aggregate after about 200 minutes of lag time and aggregate slower than at the condition when the protein does not phase separate or the molecules have a reduced intermolecular helical interaction. A structural transition intermediate towards protein aggregation was also discovered involving a decrease of the intermolecular helix-helix interaction and a reduction in the helicity. Therefore, LLPS and the intermolecular helical interaction could help maintain the stability of TDP-43 LCD.

Separase is a key cysteine protease to separate sister chromatids through digestion of cohesion ring that inhibits chromosome segregation as trigger of metaphase–anaphase transition in eukaryotes and highly regulated its activity by binding with securin and cyclinB-CDK1 complex. Those bindings prevent proteolytic activity of separase until the onset of anaphase. Chromosome missegregation and aneuploidy are frequently observed in malignancies. However, there are some difficulties for biochemical examinations due to instability of separase in vitro and a few spatiotemporal resolution approaches monitoring live separase activity throughout mitotic processes. Here we have developed FRET-based molecular sensors including GFP variants with separase cleavable sequences as donor and covalently attached fluorescent dye as acceptor molecules applicable to conventional live cell imaging and flow cytometric analysis because of efficient live cell uptake. We investigated performance of equivalent molecular sensors localized or not localized inside nucleus under cell cycle control using flow cytometry. Synchronized cell cycle progression rendered significant separase activity detections in both molecular sensors. We obtained consistent outcomes with localized molecular sensor introduction and cell cycle control by fluorescent microscopic observations. We thus established live cell separase activity monitoring systems specifically or statistically that could lead to elucidate separase properties in detail.

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.

The growing importance of hydrogen as an energy carrier in a future decarbonized energy system has led to a surge in its production plans. However, the development of infrastructure for hydrogen delivery, particularly in the hard-to-abate sectors, remains a significant challenge. While the construction of new pipelines entails substantial investment, repurposing existing pipelines offers a cost-effective approach to jump-starting hydrogen networks. Many European countries are exploring the possibility of utilizing their current pipeline infrastructure for hydrogen transport. Yet, a critical aspect requiring extensive research is the expansion planning of these networks to accommodate increased capacity in the future. This study investigates the utilization of existing natural gas pipeline infrastructure for hydrogen transportation as a cost-saving measure. It explores two expansion strategies, namely pipeline looping and compression, for repurposing a segment of a 342 km x 36inch existing pipeline, from the Escravos – Lagos gas pipeline system (ELPS) in Nigeria, for hydrogen transport. Employing the Promax® process simulator tool, the study assesses compliance with the API RP 14E and ASME B31.12 standards for hydrogen and hydrogen-methane blends. Both expansion strategies demonstrate acceptable velocity and pressure drop characteristics for hydrogen blends of up to 40%. Additionally, the increase in hydrogen content leads to heightened compression power requirements until approximately 80% hydrogen in the blends for compression, and a corresponding extension in looping length until around 80% hydrogen in the blend for looping. Moreover, the compression option proves to be more economically viable for all investigated proportions of hydrogen blends for the PS1-PS5 segment of the Escravos – Lagos gas pipeline case study. The percentage price differentials between the two expansion strategies reach as high as 495% for a 20% hydrogen proportion in the blend. This study offers valuable insights into the technical and economic implications of repurposing existing natural gas infrastructure for hydrogen transportation.

In the domain of drug discovery and design, the acquisition of precise structural and intermolecular Kd data for biological molecules is paramount. However, conventional methods for obtaining such data are often beset by challenges including high costs, time intensiveness, and inherent limitations in scalability and diversity. This article puts forward a high-throughput approach for in silico generation of structural and intermolecular binding affinity (Kd) data, which keeps exploring the uncharted territories of drug discovery & design by harnessing computational methodologies to synthetically generate diverse datasets. Through a meticulously designed workflow encompassing molecular structural modeling, structural biophysics-based calculations of intermolecular binding affinity (Kd), this innovative methodology transcends the constraints of traditional experimentation, offering a cost-effective, scalable, and efficient alternative. By simulating molecular interactions and binding interfaces and predicting binding affinities with reasonable accuracy, this approach not only expedites the drug development process but also enables the exploration of vast molecular space, thereby facilitating the discovery of novel therapeutics beyond conventional drug modality as a form factor. Moreover, the versatility of synthetic data extends beyond virtual screening and lead optimization, encompassing applications such as dataset augmentation, model validation, and benchmarking against experimental data. This article elucidates the conceptual underpinnings, methodological intricacies, validation strategies, and potential ramifications of in silico generated data, heralding a paradigm shift in drug discovery paradigms. By fostering synergy between computational and experimental research domains, this innovative approach promises to accelerate the pace of drug discovery, enhance the robustness of predictive models, and pave the way for transformative advancements in the entire pharmaceutical industry.

Abstract: Building Information Modelling (BIM) methodology has been empowering the quality of the construction activity in all sectors: multidisciplinary designs development; construction planning and monitoring; building management and maintenance. A BIM environment aggre-gates several disciplines and different professional skillsets and in order to control and improve the quality of a BIM project, a BIM manager is required. The BIM manager has the responsibility to coordinate all tasks involved in a building design and associated activities usually workout over the project documents. This professional can access to the distinct discipline models, located in a shared platform, and request for amendments if inconsistencies are detected. The topic of the present study is illustrated with three building cases were distinct specific projects, disciplines and tasks were elaborated: collaboration between disciplines (architecture, structures and con-struction); structural analyses and reinforcement details; quantity take-off of materials and cost estimation; construction scheduling and simulation. Although there are still limitations in the implementation of BIM methodology in all sectors and stages, within the construction industry, BIM has been bringing an important improvement in the quality of a building design, reflected in the quality of the final product. The present study put in evidence the BIM manager role in pro-jects that aggregates several disciplines and experts, bringing an important contribution in the quality of a building design. BIM methodology is a current demand in the construction industry supported on advanced technology and in an adequate management of projects.

The Foreign Exchange rate is very much crucial for determining the economic health level of the country. The foreign exchange rate provides financial stability, enhances purchasing power and allows global trades. This rate usually fluctuates due to the market forces which control the supply and demand of the currency. Nominal and relative inflation and income level have a substantial effect on determining the exchange rates. Government measures, international situations, natural disasters or any unexpected situation like Covid-19, Rohingya crisis etc. can affect the exchange rates. Besides this, the interaction between the factors can create different reasoning to affect the market. This study tries to identify some factors with relevant examples.

We introduce a novel key exchange protocol based on non-commutative matrix multiplication defined in $\mathbb{F}_p^{n \times n}$. The security of our method does not rely on computational problems as integer factorization or discrete logarithm whose difficulty is conjectured. We show that the public, secret and channel keys become indistinguishable to the eavesdropper under matrix multiplication. Remarkably, for achieving a 512-bit security level, the public key is 1024 bits and the private key is 768 bits, making them the smallest keys among post-quantum key exchange algorithms. Also, we discuss how to achieve key authentication, interdomain certification and Perfect Forward Secrecy (PFS). Therefore, Lizama's algorithm becomes a promising candidate to establish shared keys and secret communication between (IoT) devices in the quantum era.

We introduce a novel key exchange protocol based on non-commutative matrix multiplication defined in $\mathbb{Z}_p^{n \times n}$. The security of our method does not rely on computational problems as integer factorization or discrete logarithm whose difficulty is conjectured. We claim that the unique eavesdropper's opportunity to get the secret/private key is by means of an exhaustive search which is equivalent to the unsorted database search problem. Furthermore, we show that the secret/private keys become indistinguishable to the eavesdropper. Remarkably, to achieve a 512-bit security level, the keys (public/private) are of the same size when matrix multiplication is done over a reduced 8-bit size modulo. Also, we discuss how to achieve key certification and Perfect Forward Secrecy (PFS). Therefore, Lizama's algorithm becomes a promising candidate to establish shared keys and secret communication between (IoT) devices in the quantum era.

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

Inflation and exchange rates have great influence on consumer prices especially on imports and exports. Exchange rate fluctuations create inefficiency and distort world prices whereas changes in inflation rates have a direct impact on consumer goods prices which incidentally include exchange rates. There is a direct interdependence between inflation and exchange rates and this paper is aimed at investigating this relationship in dynamic context. It tries to find out how changes in inflation and exchange rates impact on another by adopting the econometric and copula approaches. Both inflation and exchange rates data are susceptible to volatility clustering, possess fat tails and are skewed coupled with conditional heteroskedasticity. Hence we model the univariate distributions by using ARMA$(p,q)$-GARCH$(x,y)$ so as to capture the most important stylized features of inflation and exchange rates. A bivariate model is then constructed by coupling the marginal distributions of inflation and exchange rates using the survival Clayton copula. Empirical results from monthly inflation and exchange rates data show positive correlation between the two based on Kendall $\tau$ test which confirms that a change in inflation results in change of exchange rates an vice versa hence there is co-movement. Furthermore, by the Granger causality test, exchange rates spikes cause changes in inflation rates. The results of the study have implications on economic policy design and hedging strategies for traders on imports and exports.

This study employs the FLACS code to analyze hydrogen leakage, vapor dispersion, and subsequent explosions. Utilizing pseudo-source models, a liquid pool model, and a hybrid model combining both, we investigate dispersion processes for varying leak mass flow rates (0.225 kg/s and 0.73 kg/s) in a large open space. We also evaluate explosion hazards based on overpressure and impulse effects on humans. The computational results, compared with experimental data, demonstrated reasonable hydrogen vapor cloud concentration predictions, especially aligned with the wind direction. For higher mass flow rate of 0.73 kg/s, the pseudo-source model and hybrid model proved appropriate, while the liquid pool model was more suitable for lower mass flow rate of 0.225 kg/s. Regarding explosion analyses using overpressure-impulse diagram, higher mass flow rates leaded to potentially fatal overpressure and impulse effects on humans. However, lower mass flow rates may cause severe eardrum damage at the maximum overpressure point.

In Shark Bay, a large hypersaline bay in Western Australia, longitudinal density gradients force gravitational circulation that is important for Bay-ocean exchange. Observations of vertical stratification and velocity are presented, confirming a steady near-bed dense water outflow from Shark Bay’s northern Geographe Channel that persisted through all stages of the tide. Outflow velocities were 2–3 times stronger than the outflows recorded previously in Naturaliste Channel (in the west) and were more resistant to breakdown by tidal mixing. Estimates of turbulent kinetic energy production derived from ADCP data using the variance method showed a more complex structure in Geographe Channel, due to shear associated with the stratified conditions, with peak levels of turbulence occurring during reversal of tidal flows. For both channels the main source of turbulence was tidal flow along the seabed, with the bottom current speed cubed, |U_b³|, providing a reasonable proxy for tidal mixing and prediction of dense water outflows from Shark Bay the majority of the time. Orientation and deeper water of Geographe Channel along the main axis of the longitudinal density gradient provided an explanation for the predominant outflow from the Bay’s northern entrance. These density-driven currents could potentially influence recruitment of commercially fished scallops and prawns through dispersal and flushing of larvae.

Martensitic steels are used at a wide range of strength levels in environments which expose them to hydrogen or water vapor over a large range of partial pressures and temperatures. Hydrogen can cause catastrophic failures under many seemingly benign conditions. The effect of hydrogen on the dimension stability of high strength martensitic steels under such conditions has been poorly understood, and existing models do not seem to adequately account for it. Experiments were conducted to measure the variation in volume due to the uptake of hydrogen of such steels under near-ambient conditions, and the results were compared to theoretical estimates derived from the density of defects acting as hydrogen traps. Based on these results a new model for hydrogen embrittlement was developed. The hydrogen lattice dilation (HLD) model isolates volume expansion as a primary driver of hydrogen embrittlement. It provides and distinguishes two modes of failure acceleration: the fast, brittle, stress-intensity independent cracking under higher static crack loading, and a slower, highly stress-intensity dependent tearing mode at lower stress intensity. The relationship between the two is explained, as is how hydrogen absorption by defects accounts for the crack threshold and crack velocity of each.

Reactive oxygen species (ROS), which were originally classified as exclusively deleterious compounds, have gained increasing interest in the recent years given their action as bona fide signalling molecules. The main target of ROS action is the reversible oxidation of cysteines, leading to the formation of disulfide bonds, which modulate protein conformation and activity. ROS endowed with signalling properties are mainly produced by NADPH oxidases at the plasma membrane, but their action also involves a complex machinery of multiple redox-sensitive protein families that differs in their subcellular localization and their activity. Given that the levels and distribution of ROS are highly dynamic in part due to their limited stability, the development of various fluorescent ROS sensors, some of which are quantitative (ratiometric), represents a clear breakthrough in the field and have been adapted to both ex vivo and in vivo applications. The physiological implication of ROS signalling will be presented mainly in the frame of morphogenetics processes, embryogenesis, regeneration, and stem cell differentiation. Gain and loss of function as well as pharmacological strategies have demonstrated the wide but specific requirement of ROS signalling at multiple stages of these processes and its intricate relationship with other well-known signalling pathways.

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.

Experimental systems to simulate future elevated CO2 conditions in the field often have large, rapid fluctuations in CO2. To examine possible impacts of such fluctuations on photosynthesis, intact leaves of field grown plants of five species were exposed to two-minute cycles of CO2 between 400 and 800 mol mol-1 lasting a total of 10 minutes, with photosynthesis, stomatal conductance and PSII fluorescence measured at the end of each half-cycle, and also 10 minutes after the end of the cycling. Prior to the cyclic CO2 treatments, steady-state responses of leaf gas exchange and fluorescence to CO2 were determined. In four of the five species, in which stomatal conductance decreased with increasing CO2, the cyclic CO2 treatments reduced stomatal conductance. In those species, both photosynthesis and the photochemical efficiency of PSII were reduced at limiting internal CO2 levels, but not at saturating CO2. In the fifth species, there was no change in stomatal conductance with CO2, and no change in either photosynthesis or PSII efficiency at any CO2 level with CO2 cycling. It is concluded that in many, but not all, species fluctuations in CO2 may reduce photosynthesis at low CO2 partly by decreasing the photochemical efficiency of photosystem II, as well as by decreasing stomatal conductance.

The majority of E-commerce transactions reveal private information such as customers' identities, order contents, and payment information during the transaction. Other personal information such as health conditions, religion, and even ethnicity may be also deduced. Even when deploying electronic cryptocurrencies such as Bitcoin, anonymity cannot be fully guaranteed. Also, many anonymous payment schemes suffer from possible double spending circumstances. E-commerce privacy is basically a difficult problem as it involves parties with concurring interests. Three major e-commerce requirements are highly difficult to resolve: anonymous purchase, anonymous delivery, and anonymous payment. This work presents a possible e-commerce system addressing all three anonymity requirements for electronic-items business on open networks. The system offers anonymous entities authentication mechanisms up to completing a fair anonymous e-commerce transaction. The system is based on deploying a physically clone-resistant hardware token for each relevant involved party. The tokens are made clone-resistant by accommodating a Secret Unknown Cipher (SUC) in each hardware-token as a digital PUF-like identity. A set of novel generic system-setups for units, protocols and e-commerce schemes is introduced. The proposed anonymization is basically attained by virtually-replacing relevant e-commerce entities by low-cost, unique and clone-resistant tokens/units using SUCs. The units act as trustable anonymous, authenticated and non-replaceable entities monitored by their acting users.

This work shows the physicochemical and mineralogical characterization of diatomites form the Hidalgo and Jalisco States, Mexico. In the case of the mineral from Hidalgo State, this has the following chemical composition; 70.0 % wt. SiO₂, 11.63 wt. % Al₂O₃, 1.95 wt. % FeO, 1.79 wt. % MgO, 2.41 wt. % K₂O, 0.85 wt. % CaO and 6.10 wt. % Na₂O. On the other hand, the mineral from Jalisco has the following chemical composition; 93.58 wt. % SiO₂, 3.03 wt. % Al₂O₃, 1.81 wt. % FeO, 0.40 wt. % MgO, 0.92 wt. % K₂O, 0.11 wt. % CaO and 0.24 wt. % Na₂O. For recovery of metals, both minerals got arsenic, silver, lead and nickel recoveries upper to 95 % and lower to 10 % for chromium. According to efficiency of interchange, the mineral from Hidalgo is slightly higher in the case of arsenic, lead and silver; while for nickel and particularly chromium (VI) the efficiency is higher for the mineral from Jalisco.

This paper discusses about the quantum energy levels of muonic hydrogen considering only Coulomb interaction. The computational analysis in this paper will help the reader get a good understanding of how different a muonic hydrogen is from its electronic counterparts. Energy eigenvalues are calculated by numerical method and the probability density distribution of muon around the nucleus is plotted for different quantum states using special functions. The code is written in python. A comparative study of emission spectra between the muonic hydrogen and hydrogen has also been discussed.

A sustainable green one pot procedure for the synthesis of dihydropyrimidinones (DHPMs) derivatives by a three-component reaction of β-ketoester derivatives, aldehyde and urea or thiourea over the alkali-treated H-ZSM-5 zeolite under ball-milling has been developed. The product was isolated by simple washing of the crude reaction residue with ethyl acetate followed by evaporation of solvent. The hierachical zeolite catalyst (MFI27_6) showed high yield (86–96%) of dihydropyrimidinones (DHPMs), in very short time (10-30 min). The catalyst is recycled for subsequent reactions in four runs without appreciable loss of activity and high yields of products provide efficient protocol for Biginelli reactions.

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.

In this paper, I propose new models of quantum information processing using the exchange interaction in physical systems. The partial SWAP operator that can be realized using the exchange interaction is used as the underlying resource for defining models of quantum computation, quantum communication, quantum memory and decoherence-free subspaces. Given the non-commutativity of these operators (for adjacent operators operating on a common qubit), a number of quantum states and entanglement patters can be obtained. This zoo of states can be classified, due to the parity constraints and permutation symmetry of the states, into invariant subspaces that are used for the definition of some of the applications in this paper.

Catalyst material plays a pivotal role in the pharmaceutical industry process. Among them, Friedel-Craft acylation reaction is a well-known reaction to synthesis acetophenone derivatives. However, Friedel-Craft acylation mostly used acetyl chloride as starting material with Lewis acid as homogeneous catalyst, which is nonenvironmental friendly process. In this work, a simple and efficient Friedel-Craft acylation reaction is reported by using the palladium oxide doped on activated bentonite (PdOAB) as the heterogeneous catalyst. The PdOAB catalyst material was characterized with scanning electron microscopy-energy dispersive X-ray (SEM-EDX), nitrogen isotherm adsorption, Fourier transform infrared (FTIR), X-ray powder diffraction (XRD), and thermogravimetric-differential thermal analysis (TG-DTA). The acetophenone derivatives with R = -H, -Cl, -CH₃, -OCH₃, -OH and -NH₂ at para position were successfully synthesized from its corresponding aromatic compounds with glacial acetic acid in 86.6, 7.9, 91.7, 86.6, 82.7, and 78.9% yield, respectively. Therefore, a green method was established because the byproduct is water and the catalyst material can be recovered. Furthermore, the substituent (σ) constants were obtained by using Hammet equation, and the catalysis mechanism has been proposed.

Conventional economic theory outlines that developing countries experience economic growth through an undervalued exchange rate and that exchange rate overvaluations has negative long term effects on economic growth. This paper examined the impact of exchange rate movements as well as exchange rate misalignments on economic growth for the Trinidad and Tobago economy over the period 1960 to 2016. We find statistically significant evidence that both exchange rate appreciation and misalignments impact negatively on economic growth in the T&T economy. Drilling deeper we find interestingly that there exist no non-linear effects of exchange rate misalignments on growth. Specifically we find statistically significant evidence that both overvaluations and undervaluations hamper economic growth in the Trinidad and Tobago economy. We attribute this to T&T’s small and underdeveloped manufacturing sector that tends to be overlooked on account of its energy resources, in addition to the fact that its manufacturing sector is highly import oriented. A major policy recommendation would be for the critical reassessment of the rules governing the HSF, as government expenditure was allowed to follow energy revenues due to its current limitations.

The Residential and Industrial zones as is, rely heavily, if not exclusively, on Hydrocarbons. Hydrocarbon thermal machinery such as Spark Ignition-Compression Ignition engines, Gasoline-Diesel generators, Coal-Lignite gasifiers, residential diesel-powered heating systems, Pyrolysis units and so on, are commonly met all around the planet. Such technology practically oxidizes Hydrocarbons to produce either heat, steam or useful mechanical work depending on the application, though energy losses are not, by any means, insignificant. Advanced material processing is an industrial sector who’s energy demand is significant and it is important for the general public to come to terms with the fact that by implementing Hydrogen technology to power such plant while at the same time improving the energy equilibrium of houses(advanced materials), communities would be taking major steps towards Climate Change effects debilitation. The downside of Hydrocarbon thermochemical exploitation can be described by the limited resources-reserves and the gaseous pollutant emissions (CO2, CO, NOx, SOx). In recent years, the Industrial zone as a whole has began taking a turn towards Electrification without having established the necessary infrastructure to support such a transition. Indicatively, at current rate of production, dead Lithium-Ion batteries are projected to reach as high as 11,000 metric tons by 2030, yet there is no recycling scheme in place, not to mention the prospect of that number rising even more, given the recent e-mobility trend. As it pertains to Electrification, such powertrains-machinery require electricity and a battery. Electricity production is mainly achieved through Coal-Lignite gasification, Batteries require metals, among others, for manufacturing, meaning that up-on mining, local water resources are contaminated, another very important ‘aspect’ of Lithium(per say) mining is that child labor is often associated with such processes, a truly despicable act. All of the above paint a crystal-clear picture as to how ‘environmentally friendly’ reckless-rushed Electrification really is. Climate Change is up-on us and it’s effects on the planet are obvious, the most important of which is glacier melting due to rising of the global Temperature. The COVID-19 crisis is a sign of what could come from glacier melting could as ice contains potentially harmful-toxic to humans, biological entities that are sure to be introduced to the general public if we were to continue exploiting mineral resources. Purpose of this paper is to provide a general overview of the technology around Hydrogen.

Shrubs are a significant component of urban vegetation residing in parks, but they experience various influences of biotic and abiotic agents, among which aphids play an important role. In this work, the effect of aphid colonization on three shrub species in urban environment was examined. Fourteen parameters have been analyzed, describing photosynthetic pigment content and gas exchange to carbon, nitrogen, and hydrogen partition. While no significant effect of colonization was found on photosynthetic pigment parameters, the effect was significant on gas exchange parameters. The strongest effect aphid colonization achieved on nitrogen partition and C/N ratio, parameters that could be suggested in further similar studies. All parameters were classified in two groups according to principal component analysis, suggesting correlation between nitrogen and carbon content, C/N ratio, measured gas exchange parameters and chlorophyll a content. The ratio between net photosynthesis and dark respiration (A/K) was in the second group, suggesting that this parameter provide additional information on the effect of aphid colonization, and deserve special attention in further studies. There were differences in reaction of examined shrub species, where the strongest reaction by gross primary productivity (GPP) achieved Hybiscus syriacus, and by nitrogen partition and C/N ratio Spirea trilobata and Cydonia japonica.

This paper uses panel data to find the determinants of tracking errors in exchange traded funds (ETFs) in the Hong Kong stock market. A comparison of tracking errors between physical and synthetic ETFs also indicates that the synthetic ETFs have higher tracking errors. The magnitude of tracking errors is found to be negatively related to size but positively related to dividend yield, trading volumes of funds, and market risk. However, this study also finds that expense ratio has a negative impact on tracking error, which is not consistent with previous studies, and which this paper addresses.

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.

As the global demand for clean and sustainable energy sources intensifies, hydrogen emerges as a promising alternative fuel. The widespread adoption of hydrogen, however, is impeded by the lack of efficient systems for storage and transportation. This review aims to summarize the recent advancements and prevailing challenges within the realm of hydrogen storage and transportation, thereby providing guidance and impetus for future research and practical applications in this domain. Through a systematic selection and analysis of the latest literature, this study highlights the strengths, limitations, and technological progress of various hydrogen storage methods, including compressed gaseous hydrogen, cryogenic liquid hydrogen, organic liquids hydrogen, solid materials hydrogen storage, as well as the feasibility, efficiency, and infrastructure requirements of different transportation modes such as pipelines, road and seaborne transportation. The findings reveal that challenges such as low storage density, high costs, and inadequate infrastructure persist despite progress in high-pressure storage and cryogenic liquefaction. The review also underscores the potential of emerging technologies and innovative concepts, including metal-organic frameworks, nanomaterials, and underground storage, along with the potential synergies with renewable energy integration and hydrogen production facilities. In conclusion, interdisciplinary collaboration, policy support, and ongoing research are essential in harnessing hydrogen’s full potential as a clean energy carrier. This review concludes that research in hydrogen storage and transportation is vital to global energy transformation and climate change mitigation.

Ongoing investigations have highlighted that MIM of Mg shows high potential for mass production of small lightweight components as well as of degradable implants with complex geometry. However, prior research activities have shown that Mg reacts sensitively to atmosphere impurities like oxygen and specific thermal decomposition products of the used backbone polymers. Polyethylene based polymers reveal a negative influence on sintering of Mg while polypropylene based polymers behave uncritically. This work is highlighting that when hydrogen instead of argon atmosphere is used during sintering, the negative influence caused by carbon residuals at the particle boundaries can be prevented. Mg-0.9Ca elongation increased with a slight decrease in UTS revealing a strengthening effect of the carbon residuals at the particle boundaries. For pure Mg UTS could be increased from 7 MPa up to 80 MPa with elongation of 6% showing the positive effect of hydrogen on the sintering of Mg.

It is unclear whether military shoes (combat boots and sports shoes) attenuate loading rate or affect force transfer during walking. Therefore, this study compared ground reaction forces (GRF) related to impact and force transfer between combat boots, military sports shoes and running shoes. Ten army recruits walked over a walkway with two force plates embedded. GRF were measured when walking barefoot (for data normalization) and with combat boots, military sports shoes and running shoes. Loading rate, first and second peak forces and push-off rate of force were computed along with temporal analysis of waveforms. Reduced loading rate was observed for the running shoe compared to the combat boot (p = 0.02 and d = 0.98) and to the military sports shoe (p = 0.04 and d = 0.92). The running shoe elicited a smaller second peak force than the combat boot (p < 0.01 and d = 0.83). Walking with military shoes and combat boots led to larger force transfer then running shoes potentially due to harder material used in midsole composition (i.e. styrene-butadiene rubber). These results could lead to a potentially larger risk of injuries while long duration walking in military shoes and boots compared to traditional running shoes.

It is known that ammonium has a higher permeability through anion-exchange and bipolar membranes compared to K+ cation that has the same mobility in water. However, the mechanism of this high permeability is not clear enough. We develop a mathematical model based of the Nernst-Planck and Poisson equations for diffusion of ammonium chloride through an anion-exchange membrane; proton exchange reactions between ammonium, water and ammonia are taken into account. It is assumed that ammonium, chloride and OH− ions can only pass through membrane hydrophilic pores, while ammonia can also dissolve in membrane matrix fragments not containing water and diffuse through these fragments. It is found that due to the Donnan exclusion of H+ ions as coions, the pH in the membrane internal solution increases when approaching the membrane side facing distilled water. Consequently, there is a change in the principal nitrogen-atom carrier in the membrane: in the part close to the side facing the feed NH4Cl solution (pH&lt;8.8), it is the NH4+ cation, and in the part close to distilled water, NH3 molecules. The concentration of NH4+ reaches almost zero at a point close to the middle of the membrane cross-section, which approximately halves the effective thickness of the diffusion layer for the transport of this ion. When NH3 takes over the nitrogen transport, it only needs to pass through the other half of the membrane. Leaving the membrane, it captures an H+ ion from water, and the released OH− goes towards the membrane side facing the feed solution to meet the NH4+ ions. The comparison of the simulation with experiment shows a satisfactory agreement.

In this paper, we investigate the “statics and dynamics” return and volatility spillovers transmission across developed and developing countries. Quoted against the U.S. dollar, we study twenty-three global currencies over 2005 – 2016. Focusing on the spillover index methodology, the generalised VAR framework is employed. Our findings indicate no evidence of bi-directional return and volatility spillovers between developed and developing countries. However, a unidirectional volatility spillover from developed to developing countries is highlighted. Furthermore, our findings document significant bi-directional volatility spillovers within the European region (Eurozone and non-Eurozone currencies) with the British Pound (GBP) and the Euro (EUR) as the most significant transmitters of volatility. The findings reiterate the prominence of volatility spillovers to financial regulators.

The impact of monetary policies and their implementation by exchange rate covered the economic condition of Ghana. The social inclusion and conversion factors change the implemented policies of nations, where the real price, trade, technology, a price rate and price level of ratio take an important part of growth. The reform of the financial sector favors the free floating of the exchange rate and global trade by under the premise of flexible exchange rates. The tragedy of country growth and exchange rate toward a trajectory of growth with the growth-enhancing effect through social inclusion, conversion factors, price level ratio, exchange rate, merchant rate, export and trade services. The research study is based on secondary study and social inclusion equity indicators with public resources, building human resources and social protection for economic development has determined. The monetary policies are classified by the different evidence and trade indicators. The significant influence of growth and internal policies has affected trade and exchange rates with growth and reserve policies. The results have computed by linear regression and it proved that social inclusion and alternative conversion factors impact on the global trade and create short term binary relationship.

The Algiers Stock Exchange (ASE) is the only stock exchange in Algeria. It’s one of the newest and smallest emerging stock exchanges in the world. The focus of this paper is to model and forecast monthly returns of the ASE index (DZAIRINDEX) using The Box- Jenkins methodology. The period of this study is from Jun 2010 to July 2019. According to Akaike’s Information Criterion (AIC) estimator, the Seasonal Autoregressive Integrated Moving Average SARIMA(2,0,0)(0,0,1) is chosen as the best model for forecasting the monthly DZAIRINDEX returns. Diagnostic tests confirm that the fitted model is adequate, where the residuals of this model are normally distributed with no autocorrelation and no heteroskedasticity. The forecast of the monthly DZAIRINDEX returns for one year ahead using this model shows a decreasing fluctuations trend. Based on different measures of forecast accuracy such as ME, MAE, RMSE, MASE, we show that the forecast accuracy of SARIMA(2,0,0)(0,0,1) is acceptable and this model performs much better than a naïve model. These results could be used by the financial communities in Algeria to deal with stock exchange risks and to improve their decisions.

This study aims to examines three elements shape leadership in Leader-Member Exchange (LMX) theory as a relationship and process. LMX quality is important for the company, because it relates to employee behavior and attitudes, including improving employee performance. The research method applied literature review using description logic and systematics. In this article the theory will be observed specially the effect of LMX on employee performance and antecedents of LMX. The results of the study found that the effect of LMX quality on performance is determined by the characteristics of the task as antecedent LMX in the company.

This study examines the exchange rate rebound effects of the Central Bank intervention in the selected ECOWAS economies. An empirical understanding of these effects is very important to trade adjustment as well as the macroeconomic stability in these countries. Using the panel data modelling framework, the study finds that the impact of the Central Bank intervention on exchange rate is insignificant and it does not lead to the exchange rate rebound. In addition, money supply as well as monetary policy rate implemented by the monetary authorities significantly influences the level of exchange rate in a positive direction.

This paper investigates the impact of price and real exchange rate volatility on Foreign Direct Investment (FDI) inflows in a panel of 10 Latin American and Caribbean countries, observed between 1990 and 2012. Both price and exchange rate volatility series are estimated through the Generalized Autoregressive Conditional Heteroscedasticity model (GARCH). Our results, obtained employing the Fixed Effects estimator, confirm the theory of hysteresis and option value, in so far it is found a statistically significant negative effect of exchange rate volatility on FDI. Price volatility, instead, turns out to be positive but insignificant. Moreover, we show that human capital and trade openness are key for attracting foreign capital. From the policy perspective, our analysis suggests the importance of stabilization policies as well as the one of government credibility in promoting trade openness and human capital formation.

There is a marked momentum towards the use of clean hydrogen energy as an alternative for fossil fuels. Renewable energies such as solar and wind are being used to generate hydrogen from the water hydrolysis process. Indeed, this approach stores renewable energies in the form of combustible hydrogen for other energy uses. The other alternative that could be economically more cost-effective at the current technology stage is to explore the natural “Hydrogen System” where the natural hydrogen is generated and accumulated within the earth system, the same that stands for a “Petroleum System”. The Discovery of a large accumulation of relatively pure natural hydrogen (H2) in Mali has triggered the opportunity of searching for natural hydrogen accumulations in other countries. The generation of hydrogen from a circular depression in Mali and some other countries is linked to the presence of geologically very old iron-rich basement rocks. Solid-liquid redox reactions between iron-rich minerals and groundwater that split water are a possible source of H2 in deep basement rocks. It is believed that the hydrogen degassing may be detected by surface topographic circular to sub-circular shallow depressions. Chemical processes such as dissolution by hydrogen are considered to play the main role in the formation of the circular depressions through preferential vertical hydrogen migration channel. Archean iron-rich Yilgarn Craton that covers a vast area of Western Australia (WA) contains abundant iron-rich mafic-ultramafic rocks. The craton reveals many surficial circular depressions visible through satellite images. The area has abundant fault systems and is blanketed with Eocene sedimentary rocks containing high-quality reservoir rocks. All these characteristics seem to provide most of the required elements, such as hydrogen source, migration pathway, and reservoir rock for a “Hydrogen System” in this area.

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

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

Dynamics of human populations can be affected by various socio-economic factors through their influence on the natality and mortality rates, and on the migration intensity and directions. In this work we study an economic-demographic model which takes into account the dependence of the wealth production rate on the available resources. In the case of nonlocal consumption of resources the homogeneous in space wealth-population distribution is replaced by a periodic in space distribution for which the total wealth increases. For the global consumption of resources, if the wealth redistribution is small enough, then the homogeneous distribution is replaced by a heterogeneous one with a single wealth accumulation center. Thus, economic and demographic characteristics of nonlocal and global economies can be quite different in comparison with the local economy.

Temperature influences the life of many organisms in various ways. A great number of them live under conditions, where their ability to adapt to changes in temperature can be vital and largely determine their fitness. Understanding the mechanisms and principles underlying this ability to adapt can be of great advantage, for example, to improve growth conditions for crops and increase their yield. In times of imminent, increasing climate change, this becomes even more important, in order to find strategies and help crops cope with these fundamental changes. There is intense research in the field of acclimation, that comprises fluctuations of various environmental conditions, but most acclimation research focuses on regulatory effects and the observation of gene expression changes within the examined organism. As thermodynamic effects are a direct consequence of temperature changes, these should necessarily be considered in this field of research, but are often neglected. Also, compensated effects might be missed, even though they are equally important for the organism, since they do not cause observable changes, but rather counteract them. In this work, using a systems biology approach, we demonstrate that even simple network motifs can exhibit temperature dependent functional features, resulting from the interplay of network structure and the distribution of activation energies over the involved reactions. The demonstrated functional features are (i) the reversal of fluxes within a linear pathway, (ii) a thermo-selective branched pathway with different flux modes and (iii) the increased flux towards carbohydrates in a minimal calvin cycle that was designed to demonstrate temperature compensation within reaction networks. By this, we expand the scope of thermodynamic modelling of biochemical processes by addressing further possibilities and effects, following established mathematical descriptions of biophysical properties.

The tsscds method, recently developed in our group, discovers chemical reaction mechanisms with minimal human intervention. It employs accelerated molecular dynamics, spectral graph theory, statistical rate theory and stochastic simulations to uncover chemical reaction paths and to solve the kinetics at the experimental conditions. In the present review, its application to solve mechanistic/kinetics problems in different research areas will be presented. Examples will be given of reactions involved in photodissociation dynamics, mass spectrometry, combustion chemistry and organometallic catalysis. Some planned improvements will also be described.

Arylsulfatase and β-glucuronidase are two important enzymes in human, which play important role on dynamic equilibrium of steroidal estrogens. This work probably for the first time reported that hydrogen peroxide (H2O2), hypochlorite and peracetic acid (PAA) could effectively inhibit the activities of arylsulfatase and/or β-glucuronidase. The 50 percent of inhibitions (IC50) of H2O2, and PAA on arylsulfatase were found to be 142.90±9.00, 91.83±10.01, and 43.46±2.92 μM, respectively. The corresponding respective IC50 of hypochlorite and PAA on β-glucuronidase were 704.90±41.40 and 23.26±0.82 μM, while H2O2 showed no inhibition on β-glucuronidase. It was further revealed that the inhibition of hypochlorite on both arylsulfatase and β-glucuronidase was irreversible. On the contrary, the inhibition by H2O2 and PAA was reversible. Moreover, it was found that the inhibitions of arylsulfatase and/or β-glucuronidase by these three chemicals were pH-dependent, among which the inhibition by H2O2 was competitive and non-competitive for PAA. In general, H2O2 and hypochlorite can be endogenously produced in human, which suggested that the two compounds are potential endocrine disruption compounds (EDCs) as they can cause endocrine disruption via inhibition of arylsulfatase and β-glucuronidase. This work further indicated that any agent that can induce production of H2O2 or hypochlorite in human is potential EDC, which explains why some EDCs with very weak or no estrogenic potency can cause endocrine disruption that confirmed in epidemiological studies.

Swarm electrification-driven communities face significant challenges, including implementing advanced distributed control in areas with limited ICT access and establishing trust among villagers hesitant to grant access to their assets. This paper proposes a distributed DC microgrid architecture for P2P energy exchange in these communities, ensuring stability and effective exchange operation. By implementing a Blockchain marketplace specifically designed to suit the rural context, the proposed architecture ensures tracing of exchange transactions to fairly settle participants. Validation experiments demonstrate its efficacy in achieving peak shaving. It provides 11% of the requester's total demand from the community even while maintaining the constraint of reducing discharge-charge cycles to one per day, thereby preserving battery life. Additionally, the solution reduces prosumer production losses by 16% of the total PV production.

We propose an experimental method for the unidirectional excitation of spin waves. By structuring Au nanowires arrays within a coplanar waveguide onto a thin yttrium iron garnet (YIG) film, we observe a chiral coupling between the excitation field geometry of the nanowires grating and several well-resolved propagating magnon modes. We report a propagating spin wave spectroscopy study with unprecedented spectral definition, wavelengths down to 130 nm and attenuation lengths well above the 100 μm over the 20 GHz frequency band. The proposed experiment paves the way for future non-reciprocal magnonic devices.

Purpose: We evaluated the outcomes of fluid-gas exchange (FGE) for long-term flap closure of idiopathic macular hole (MH) after the inverted internal limiting (ILM) flap technique. Methods: We included eyes showed flap closure without complete MH closure, connection of the apart macular tissue, 1 month postoperatively after the inverted ILM flap technique. The eyes stayed at flap closure at 2 months postoperatively further underwent in-office FGE with 16% C3F8. Results: Among 10 eyes, 5 eyes (50%) showed flap closure at 2 months postoperatively further underwent FGE for complete MH closure while the remaining 5 eyes (50%) progressed directly at 2 months postoperatively. The improvement in vision of all flap closure from baseline was significant (p=0.015), with the mean baseline vision was 1.19 [Snellen equivalent (SE), 20/307] ± 0.52 logMAR and the mean final vision being 0.63 (SE, 20/85) ± 0.38 logMAR. The group that underwent FGE showed a better final vision of 0.45 (SE, 20/75) ± 0.23 logMAR than the group that didn’t undergo FGE (0.81 [SE, 20/128] ±0.44 logMAR). All eyes achieved complete MH closure, including the eyes that underwent FGE in a mean period of 5.60 months (range 3-10 months) after the inverted ILM flap technique. The eyes that underwent FGE achieved higher rate of foveal restoration [complete external limiting membrane (ELM): 80%; complete ellipsoid zone (EZ): 60%] than those that didn’t receive FGE (complete ELM: 40%; complete EZ: 10%). Conclusions: Eyes that underwent FGE accelerated complete MH closure and showed better final vision and fovea l restoration.

The objective of this study is to determine the impact of COVID-19 on the performance of Pakistani Stock Market. This study uses the data of COVID-19 related positive cases, fatalities, recovers and the closing prices of PSX 100 index of the first half of 2020. The findings of the study suggest that only COVID-19 recoveries are influencing the performance of the index and the daily positive cases and fatalities are insignificantly related to the performance. Further studies can be performed by incorporating other variables such as economic growth, interest rate and inflation rate along with the COVID-19 related variables at a cross-country level.

Teachers of English as a foreign language in Taiwan are challenged to organize multi-dimensional language activities for foreign students coming from ASEAN countries, including Japan, the Philippines, South Korea, and Vietnam. With different cultural backgrounds, these students have different prior knowledge of Taiwanese culture, and, because of the similarities and differences between Taiwan and these countries, it is meaningful to explore the development of globalization with the students, who are learning both English and Chinese. The different historical backgrounds, various cultural and religious differences, and social conditions, such as gender relationships in working places, are significant topics for class discussions. When teachers serve as discussion facilitators, they encourage students to express their own multi-identities and expectations for the exchange program. Most interesting of all is to find out about their own short-term and long-term career goals. 32 foreign students from the Philippines and Vietnam were recruited for research. Questionnaires were used to assess their foreign language learning motivation and strategies, as well as to discover the learning environment they prefer and their globalization prospects. It was found that multi-lingual language policies for promoting globalization in higher education are very likely to influence the success of foreign student study in Taiwan.

The aim of this research work was to provide model for predicting stock volatility in Nigeria Stock market. To achieve this, monthly data for Nigerian stock exchange, Exchange rate, Share index and inflation rate was collected for a period of January 1990 to December 2016.The descriptive statistics revealed these variables to exhibit volatility as a characteristics of financial time –varying series. DCC Model was fitted, were the coefficients for all the parameters and that of the correlation-Targeting (rho_21) are both negative and positive and tend very close to 1 and -1, indicating that high persistence in the conditional variances. The Model DCC, satisfied the properties of a good model of conditional mean and variance of the confidential Interval (C.I) of 1 and -1, that is, the conditional variances are finites and their series are strictly stationary. This therefore implies that the Nigerian Stock Exchange, Exchange rate, share index and Inflation rate will experience a non-steady shock in the Stock market. However Each of these variables have different length of recovery (volatility half- life) ranging from 1.5month, 6.5months, 6months to 2,4months for stock exchange, exchange rate, share index and inflation rate respectively. By implication, the volatility of these variables had a long memory, persistence and mean-reverting.

In this paper, the computational fluid dynamics (CFD) method has been used to simulate the gas flow and the catalytic hydrogenation process of the C-2 hydrogenation adiabatic reactor in a practical ethylene production unit of a chemical plant. The laminar finite-rate model was used for the chemical reaction model. The standard two-equation model was used for the turbulence model. The exponent-function kinetic model was used for the reaction dynamics model. The simulation results were in good agreement with the actual industrial data obtained from the C-2 hydrogenation reactor, and the distributions of reaction parameters such as temperature and component concentrations in the reactor were further analyzed. Based on the validated CFD models, the structure and operating conditions of the reactor, as well as hydrogen load distribution ratios, are simulated for comparing the comprehensive performance metrics of ethylene selectivity and acetylene conversion rate; as a result, we can obtain the optimal temperature of 312 K, the optimal hydrogen/acetylene ratio of 0.10 as well as the optimal hydrogen load distribution ratio of 4:4:2, and the diameter/height ratio exerts a marginal effect on the selectivity, conversion rate and harmonic mean of the reactor.