In this study, a graphene-doped porous silicon (G-doped/p-Si) substrate for low ppm H₂ gas detection by an inexpensive synthesis route was proposed as a potential noble graphene-based gas sensor material and to understand the sensing mechanism. The G-doped/p-Si gas sensor was synthesized by a simple capillary force-assisted solution dropping method on p-Si substrates, whose porosity was generated through an electrochemical etching process. G-doped/p-Si was fabricated with various graphene concentrations and exploited as a H₂ sensor operated at room temperature. The sensing mechanism of the sensor with/without graphene decoration on p-Si was proposed to elucidate the synergetic gas sensing effect generated from the interface between the graphene and p-type silicon.

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.

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.

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.

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 aims to quantify the influence of hydrogen embrittlement on Wierzbicki and Xue (W-X) model parameters. This model has 4 parameters which have been obtained by tensile tests on smooth specimens, tensile notch specimens, single notch tensile specimens (SENT) and pure shear specimens. Hydrogen embrittlement has been obtained by electrolytic method. Application of the (W-X) model has been done to get the local resistance used to predict failure by the Volumetric Method (VM). An example is given for the case of an embedded pipe submitted to service pressure and lateral seismic displacement. The effect of this displacement is then assimilated to the shearing of the straight section of the pipe. The pipe shows a corrosion defect considered a semi-elliptical crack. The influence of hydrogen embrittlement on local strain resistance and safety factors is discussed.

Natural gas plays a significant role in Tunisia's energy mix. Tunisia imports 66% of natural gas (NG) from Algeria (ANG), and the rest is provided by local gas fields mainly Miskar gas (MNG). To counteract this deficit, the Power-to-Gas approach emerges as a promising solution, given Tunisia's abundant renewable energy resources. By blending green hydrogen into the NG network, it is possible to (i) address the current energy crisis, (ii) lower the carbon intensity of the gas grid, and (iii) encourage sector coupling through the use of various renewable energy sources. This study presents an overview of various interchangeability indicators and investigates accordingly the allowable ratios for hydrogen blending with two types of natural gas distributed in Tunisia (ANG and MNG). It also explores the impact of hydrogen injection on the energy content variation and various combustion parameters. The results confirm that both ANG and MNG can withstand a maximum hydrogen blend of up to 20%. The article concludes with recommendations for further experimental testing of the findings and emphasizes the need to look into infrastructure and safety requirements with regards to the Natural gas network in Tunisia. This research serves as a critical step towards harnessing the potential of green hydrogen in Tunisia.

The processes of hydrogen reduction of silicon and germanium chlorides under the conditions of radio-frequency (40.68 MHz) counteracted arc discharge stabilized between two rod electrodes were investigated. The main gas-phase and solid products of plasma-chemical transformations were determined. Thermodynamic analysis of SiCl4 + H2 and GeCl4 + H2 systems was carried out. It is shown that under the implemented experimental conditions, equilibrium components of the products are established. The detected spectra of chemical activity were studied, which gave reason to assume that the molecular mechanism of the hydrogen reduction process is the main one. The impurity composition of gas-phase and solid reaction products was investigated. The possibility of single-stage production of high-purity Si and Ge mainly in the form of compact ingots, as well as high-purity chlorosilanes and trichlorogermane, was shown.

Hydrogen peroxide (H2O2) is an essential analyte for detecting neurodegenerative diseases and in-flammatory processes and plays a crucial role in pharmaceutical, food industry, and environmental monitoring. However, conventional H2O2 detection methods have drawbacks such as lengthy analysis time, high costs, and bulky equipment. Non-enzymatic sensors have emerged as promising alternatives to overcome these limitations. In this study, we introduce a simple, portable, and cost-effective non-enzymatic electrochemical sensor based on carbon black (CB) and silver nano-particle-modified δ-FeOOH (Ag/δ-FeOOH), integrated into a disposable electrochemical cell (DCell). Scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), and electrochemical impedance spectroscopy (EIS), confirmed successful CB and Ag/δ-FeOOH immo-bilization on the DCell working electrode. Electrochemical investigations revealed that the DCell-CB//Ag/δ-FeOOH sensor exhibited an approximately twofold higher apparent heterogene-ous electron transfer rate constant than the DCell–Ag/δ-FeOOH sensor, capitalizing on CB ad-vantages. Moreover, the sensor displayed excellent electrochemical response for H2O2 reduction, boasting a low detection limit of 22 µM and a high analytical sensitivity of 214 μA mM-1 cm-2. Notably, the DCell-CB//Ag/δ-FeOOH sensor exhibited outstanding selectivity for H2O2 detection, even in potential interferents such as dopamine, uric acid, and ascorbic acid. Furthermore, the sensor demonstrated its suitability for monitoring H2O2 in complex biological samples, as evidenced by H2O2 recoveries ranging from 92% to 103% in 10% fetal bovine serum. These findings underscore the considerable potential of the DCell-CB//Ag/δ-FeOOH sensor for precise and reliable H2O2 monitoring in diverse biomedical and environmental applications.

A sustainable, scalable source of energy‐dense chemical fuel is urgently needed to ensure the security of our energy supply for future generations. Solar energy is the only renewable energy source of sufficient scale to replace fossil fuels and meet rising environmental demand. Hydrogen is expected to play a key role as an energy carrier in future energy systems of the world. As fossil fuel supplies become scarcer and environmental concerns increase, hydrogen is likely to become an increasingly important chemical energy carrier and eventually may become the principal chemical energy carrier. When most of the world’s energy sources become non-fossil based, hydrogen and electricity are expected to be the two dominant energy carriers for the provision of end-use services. Photocatalytic hydrogen evolution from water by solar energy over semiconductors offers a promising way for clean and renewable production of hydrogen. The TiO2-based materials have received considerable attention in recent years due to their extensive application in photocatalysis for hydrogen evolution. Though TiO2 is the most widely investigated photocatalyst for hydrogen evolution, it still provides low photocatalytic activity due to the wide bandgap that results in photocatalytic activity only under ultraviolet (UV) irradiation. Modification of TiO2 photocatalysts with several transition metals has been extensively studied to extend the absorbance capacity of TiO2 into the visible range. The effect of different photocatalytic deposition and reaction parameters also play major roles in enhancing the photostability of photoanode and increasing the hydrogen gas output, respectively.

Three novel iron(II) coordination polymers, [Fe(H2O)2(ttmb)2](ClO4)2·4H2O (1), [Fe(H2O)2(ttmb)2](BF4)2·4H2O (2), [Fe(ttmb)2(NCS)2] (3), were synthesized with the linker 1,3,5-tris(1H-1,2,4-triazol-1-yl)methyl)benzene (ttmb). The single-crystal structures show that all three compounds form a double chain structure with the adjacent iron atoms being bridged by two ttmb linkers. The iron(II) ions are octahedrally surrounded by four N4 donor atom from the 1,2,4-triazol-1-yl groups of four different ttmb linkers which form an equatorial plane and two trans-coordinated aqua ligands in 1 and 2 or isothiocyanato ligands in 3 in the axial positions. In view of the neutral bridging ttmb linker, there is a counter-anion in all structures; uncoordinated ClO4– and BF4–in 1 and 2 or coordinated NCS–in 3. Compounds 1 and 2 are isostructural. Interestingly, the ttmb linker only utilizes two of its three potentially coordinating triazole groups. All iron(II) coordination networks are colorless or have a light-yellow color, being indicative of the high-spin state.

Keywords: glycerin; Ni-based catalyst; lanthanum; semi-industrial scale; hydrogen production; biorefinery; monitoring.

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

This paper offers a set of comprehensive guidelines aimed at facilitating the widespread adoption of hydrogen in the industrial hard-to-abate sectors. The authors begin by conducting a detailed analysis of these sectors, providing an overview of their unique characteristics and challenges. The paper delves into specific elements related to hydrogen technologies, shedding light on their potential applications and discussing feasible implementation strategies. By exploring the strengths and limitations of each technology, the paper offers valuable insights into its suitability for specific applications. Finally, through a particular analysis focused on the steel sector, the authors provide in-depth information on the potential benefits and challenges associated with hydrogen adoption in this particular context. By emphasizing the steel sector as a focal point, the authors contribute to a more nuanced understanding of hydrogen's role in decarbonizing industrial processes and inspire further exploration of its applications in other challenging sectors.

Since Hydrogen Sulfide (H2S) was recognized as a gas transmitter, its detection and quantifica-tion have become a hot research topic among chemists and biologists. In this area. fluorescent probes have shown great advantages: fast and strong responds, low detection limit and easy ma-nipulation. Here we developed a new fluorescent probe that detected H2S selectively among various bioactive and inorganic salts. This probe was based on the core structure of fluorescein and reacted with H2S through azide-reduction. Great linearity was achieved correlating fluores-cence intensity and H2S concentrations in solution. The detection of H2S in cancer cells was also achieved.

The present study describes the development and application of a computer model of the national electricity system for the Caribbean dual-island nation of Antigua and Barbuda to investigate the cost-optimal mix of solar photovoltaics (PV), wind, and in the most novel contribution, concentrating solar power (CSP). These technologies, together with battery and hydrogen energy storage, can enable the aim of achieving 100% renewable electricity and zero carbon emissions. The motivation for this study was that while most nations in the Caribbean rely largely on diesel fuel or heavy fuel oil for grid electricity generation, many countries have renewable resources beyond wind and solar energy. Antigua and Barbuda generates 93% of its electricity from diesel-fueled generators and has set targets of becoming a net-zero nation by 2040 and having 86% renewable energy generation in the electricity sector by 2030, but the nation has no hydroelectric or geothermal resources. The modeled, optimal mix of renewable energy technologies presented here was found for Antigua and Barbuda by assessing the levelized cost of electricity (LCOE) for systems comprising various combinations of energy technologies and storage. Other factors were also considered, such as land use and job creation. It was found that 100% renewable electricity systems are viable and significantly less costly than current power systems, and that there is no single defined pathway towards a 100% renewable energy grid, but several options are available.

Cancer is considered nowadays one of the main causes of human death worldwide, being characterized by an alteration of the oxidative metabolism. Many natural compounds with anti-tumor attributes have been described, many of them from plant origin. Among them, capsaicin, which is the molecule responsible for the pungency in hot pepper fruits, has been reported to show antioxidant, anti-inflammatory and analgesic activities, as well as anti-proliferative properties against cancer. Thus, in this work the potential anti-proliferative activity of pepper (Capsicum annuum L.) fruits from diverse varieties with different capsaicin content (California < Piquillo < Padrón < Alegría riojana) against several tumor cell lines (lung, melanoma, hepatoma, colon, breast, pancreas, and prostate) has been investigated. The results showed that the capsaicin content in pepper fruits did not correspond with their anti-proliferative activity against tumor cell lines. By contrast, the greatest activity was promoted by the pepper tissues which contained the lowest capsaicin amount. This indicates that other compounds different from capsaicin have this anti-tumor potentiality in pepper fruits. Based on this, green fruits from the variety Alegría riojana, which has negligible capsaicin levels, was used to study the effect on the oxidative and redox metabolism of tumor cell lines from liver (Hep-G2) and pancreas (MIA PaCa-2). Different parameters from both lines treated with pepper fruit crude extracts were determined including, among others, protein nitration and protein S-nitrosation (two post-translational modifications (PTMs) promoted by nitric oxide), the antioxidant capacity, as well as the activity of the antioxidant enzymes superoxide dismutase (SOD), catalase, and glutathione peroxidase (GPX). Besides, the activity of the NADPH-generating enzymes glucose-6-phosphate dehydrogenase (G6PDH), 6-phosphogluconate dehydrogenase (6PGDH), and NADP-isocitrate dehydrogenase (NADP-ICDH) was followed. Our data revealed that the treatment of both cell lines with pepper fruit extracts altered their antioxidant capacity, enhanced the catalase activity, and considerably reduced the activity of the NADPH-generating enzymes. As a consequence, less H2O2 and NADPH seem to be available to cells, thus avoiding cell proliferation and possibly triggering cell death in both cell lines.

Recent studies have confirmed that lung microvascular endothelial injury plays a critical role in the pathophysiology of COVID-19. Our group and others have demonstrated the beneficial effects of H2S in several pathological processes and provided a rationale for considering the therapeutic implications of H2S in COVID-19 therapy. Here, we evaluated the effect of the slow-releasing H2S donor, GYY4137, on the barrier function of a lung endothelial cell monolayer in vitro, after challenging the cells with plasma samples from COVID-19 patients or inactivated SARS-CoV-2 virus. We also assessed how the cytokine/chemokine profile of patients’ plasma, endothelial barrier permeability, and disease severity correlated with each other. Alterations of barrier permeability after treatments with patient plasma, inactivated virus, and GYY4137 were monitored and assessed by electrical impedance measurements in real-time. We present evidence that GYY4137 treatment reduced endothelial barrier permeability after plasma challenge and completely reversed the endothelial barrier disruption caused by inactivated SARS-CoV-2 virus. We also showed that disease severity correlated with the cytokine/chemokine profile of the plasma but not with barrier permeability changes in our assay. Overall, these data demonstrate that treatment with H2S-releasing compounds has the potential to ameliorate SARS-CoV-2–associated lung endothelial barrier disruption.

The preparation of transition metal salt ammine complexes having oxidizing anions is a great challenge due to the reaction between the ammonia and oxidizing anions during the synthesis of these materials. However, they have an important role in the development of new oxidants in organic chemistry and especially as precursors in the preparation of mixed metal oxides and alloys in controlled temperature thermal decomposition reactions. Therefore, the synthetic procedures to prepare the complexes of transition metal permanganate, pertechnetate, and perrhenate (VIIB group tetraoxometallates) salts with ammonia as ligand or co-ligand have been comprehensively reviewed. The available data about the structure and spectroscopic properties of these compounds, including the hydrogen bonds that act as redox reaction centers under their thermal decomposition are given and evaluated. Their thermal decomposition processes and products have been summarized. The available pieces of information about their role in organic oxidation reactions like the oxidation of benzyl alcohols, and regeneration of oxo-compounds from oximes and phenylhydrazones including the kinetics of these processes have also been collected.

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

Conventional hydrogen production, as an alternative energy resource, has relied on fossil fuels to produce hydrogen, releasing CO2 into the atmosphere. Hydrogen production via the dry forming of methane (DRM) process is a lucrative solution to utilize greenhouse gases, such as carbon dioxide and methane, by using them as raw materials in the DRM process. However, there are a few DRM processing issues, with one being the need to operate at a high temperature to gain high conversion of hydrogen, which is energy intensive. In this study, bagasse ash, which contains a high percentage of silicon dioxide, was designed and modified for catalytic support. Modification of silicon dioxide from bagasse ash was utilized as a waste material and the performance was explored of bagasse ash-derived catalysts interacting with light irradiation and reducing the amount of energy used in the DRM process. The results showed that the performance of 3%Ni/SiO2 bagasse ash WI was higher than that of 3%Ni/SiO2 commercial SiO2 in terms of the hydrogen product yield, with hydrogen generation initiated in the reaction at 300 °C. Using the same synthesis method, the current results suggested that bagasse ash-derived catalysts had better performance than commercial SiO2-derived catalysts when exposed to an Hg-Xe lamp. This indicated that silicon dioxide from bagasse ash as a catalyst support could help improve the hydrogen yield while lowering the temperature in the DRM reaction, resulting in less energy consumption in hydrogen production.

Water splitting technology is an efficient approach to generate hydrogen (H2) energy, which can well address the problems of environmental deterioration and energy shortage, as well as establishment of a clean and sustainable hydrogen economy powered by renewable energy sources due to the green reaction of H2 with O2. While the efficiency of H2 production by water splitting technology is intimately related with the reactions on electrode. Nowadays, the efficient electrocatalysts in water splitting reactions are the precious metal-based materials, i.e., Pt/C, RuO2 and IrO2. Ni (Co, Fe)-based layered double hydroxides (LDH) 2D materials are the typical non-precious metal-based materials in water splitting with advantages of low cost, excellent electrocatalytic performance and simple preparation methods, which exhibits a great potential for the substitution for precious metal-based materials. This review summarizes the recent progress of Ni (Co, Fe)-based LDH 2D materials for water splitting, which mainly focuses on discussing and analyzing the different strategies to modify LDH materials towards high electrocatalytic performance. We also discuss the recent achievements including their electronic structure, electrocatalytic performance, catalytic center, preparation process and catalytic mechanism. Furthermore, the characterization progress in revealing electronic structure and catalytic mechanism of LDH is highlighted in this review. Finally, we put forward some future perspectives related to design and explore advanced LDH catalysts in water splitting.

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.

The present is a study of the CFD simulations intended to simulate the emissions of pollutants that are generated after the combustion of proposed alternative aircraft fuels (Hydrogen, Ethanol and Methane) to compare with the emissions generated after the combustion of Kerosene and Benzene in a 2D cylindrical combustion chamber. Given that air traffic is a main contributor to not only 3% of man-made greenhouse effects but also of the generation of smog over heavy air traffic urban areas generating an impact on the air quality and the population of those areas.

The physicalchemistry properties and crystal structure of were nano-ZrO₂+3mol.%Y₂O₃ determined. The kinetics of the formation of H₂ as a result of the decomposition of H₂O on the surface of nano-ZrO₂+3mol.%Y₂O₃ was studied. Effects of adsorption and desorption process on ZrO₂+3 mol.%Y₂O₃ nanoparticles were studied at different (T=400÷1000⁰C) temperature. The study of H₂ in thermal processes at nano-ZrO₂+3 mol.%Y₂O₃ system increased. Such an increase in H₂ generation in comparison with a pure H₂O as thermal processes had formedactive centers for H₂O decomposition on the surface of the catalyst at the expense of δ-electrons emitted on the surface of nano-ZrO₂+3 mol.%Y₂O₃. This showed that the dimensions of the studied nanoscale particles systems are comparable to the free running distance of energy carriers generated by of nano-ZrO₂+3 mol.%Y₂O₃ as a result of thermal processes. These results are promising for hydrogen generation by waer spliting in near future.

In this study, we report a detailed experimental and theoretical investigation of three glycols, namely ethane-1,2-diol, 2-methoxyethan-1-ol and 1,2-dimethoxy ethane. For the first time, the X-Ray spectra of the latter two liquids was measured at room temperature, and they were compared with the newly measured spectrum of ethane-1,2-diol. The experimental diffraction patterns were interpreted very satisfactorily with molecular dynamics calculations, and suggest that in liquid ethane-1,2-diol most molecules are found in gauche conformation, with intramolecular hydrogen bond between the two hydroxyl groups. Intramolecular H-bonds are established in the mono-alkylated diol, but the interaction is weaker. The EDXD study also evidences strong intermolecular hydrogen-bond interactions, with short O···O correlations in both systems, while longer methyl-methyl interactions are found in 1,2-dimethoxy ethane. X-Ray studies are complemented by micro Raman investigations at room temperature and at 80°C, that confirm the conformational analysis predicted by X-Ray experiments and simulations.

Based on detection of elliptic particle tracks, $\simeq 137^2 n^2$ bigger than Bohr-Sommerfeld electron orbits, indicating the possible detection of superluminal electrons masquerading as magnetic monopoles, a new structure emerges leading to: (i) a new set of seven elementary lengths; (ii) replacement of the usual motion (Lorentz) transformations by scale transformations between $v^2<c^2$ and $v^2>c^2$ frames; (iii) equivalence of charge between $v^2<c^2$ and $v^2>c^2$ frames based on the Dirac-Schwinger quantization condition; (iv) a relativistic foundation for the Dirac-Schwinger quantization condition; (v) a possible cause of charge quantization; and (vi) the prospect of symmetry in Maxwell's equations. If the elliptic particle tracks are viewed as a magnification of electron orbits, the effect is suggestive of a spacetime distortion such as those predicted in general relativistic theories.

Q-switched laser radiation at wavelengths of 355 nm, 532 nm, and 1064 nm from a Nd: YAG laser was used to generate plasma in laboratory air at the target surface made of compressed nano-silver particles of size 95 ± 10 nm. The emitted resonance spectra from the neutral silver at wavelengths of 327.9 nm and 338.2 nm indicate existence of self-reversal in addition to plasma self-absorption. Both lines were identified in emission spectra at different laser irradiation wavelengths with characteristic dips at the un-shifted central wavelengths. These dips are usually associated with self-reversal. Under similar conditions, plasmas at the corresponding bulk silver target were generated. The recorded emission spectra were compared to those obtained from the nano-material target. The comparisons confirm existence of self-reversal of resonance lines that emerge from plasmas produced at nano-material targets. This work suggests a method for recovery of the spectral line shapes and discusses practical examples. In addition, subsidiary calibration efforts that utilize the Balmer series Hα-line reveal that other Ag I lines at 827.35 nm and 768.7 nm are optically thin under variety of experimental conditions and are well-suited as reference lines for measurement of the laser plasma electron density.

Vanadium titano-magnetite is a significant resource in China, and in this study, we characterize its isothermal reduction mechanisms in the mixture of H₂, CO, and N₂ where the variables considered here include reduction time, reduction temperature, gas composition, and pellet size. The kinetics of the reduction process are mainly studied, which follows a shrinking core model. The results indicate that the reduction degree of oxidized VTM pellets increases with the increase of reduction time, reduction temperature but decreases with the increase of pellet size. Moreover, we found that an increase of H₂/(H₂+CO) ratio induces an increase of the reduction degree. Then the transformation of main Ti-bearing mineral phases is discussed, and the most probable reaction mechanism is revealed. In the whole reduction process, the kinetic results confirm the existence of an early stage and a latter stage, which are controlled by interface chemical reaction and diffusion, respectively. Furthermore, the results show that the diffusion-control step can be observably shortened with the decrease of pellet size because a thinner product layer is formed during the reduction process. Our study thus provides a valuable technical basis on the VTM industrial application.

Photoelectrochemical water splitting is a promising field for sustainable energy production using hydrogen. Development of efficient catalysts is essential for resourceful hydrogen production. The most efficient catalysts reported to date have been extremely precious rare-earth metals. One of the biggest hurdles in this research area is the difficulty of developing highly efficient catalysts comparable to the noble metal catalysts. Here, we report that non-noble metal dichalcogenide (Co₃Se₄) catalysts made using a facile one-pot electrodeposition method, showed highly efficient photoelectrochemical activity on a Si photocathode. To enhance light collection and enlarge its surface area even further, we implemented surface nano-structuring on the Si surface. The nano-structured Si photoelectrode has an effective area greater than that of planar silicon and a wider absorption spectrum. Consequently, this approach exhibits reduced overvoltage as well as increased photo-catalytic activity. Such results show the importance of controlling the optimized interface between the surface structure of the photoelectrode and the electrodeposited co-catalyst on it to improve catalytic activity. This should enable other electrochemical reactions in a variety of energy conversion systems.

This work communicates results from optical emission spectroscopy following laser-induced optical breakdown at or near nanomaterial. Selected atomic lines of silver are evaluated for consistent determination of electron density. Comparisons are presented with Balmer series hydrogen results. Of particular interest are measurements free of self-absorption effects. For several silver lines, asymmetries are observed in the recorded line profiles. Electron densities of interest range from 0.5 to 3 × 10¹⁷ cm^-3, for 5 nanosecond Q-switched Nd:YAG radiation at wavelengths of 1064, 532, and 355 nm, and for selected silver emission lines including 328.0, 338.2, 768.7, and 827.3 nm, and the hydrogen alpha Balmer series line at 656.3 nm. Line asymmetries are presented for the 328.0 nm Ag I line that is measured following generation of the plasma due to multiple photon absorption. This work explores electron density variations for different irradiance levels, and reports spectral line asymmetry of resonance lines for different laser fluence levels.

Syntrophic acetate oxidation operates close to the thermodynamic equilibrium and very little is known about the participating organisms and their metabolism. Clostridium ultunense is one of the most abundant syntrophic acetate-oxidising bacteria (SAOB) found in engineered biogas processes operating with high ammonia concentrations. It has been proven to oxidise acetate in cooperation with hydrogenotrophic methanogens. There is evidence that the Wood-Ljungdahl (WL) pathway plays an important role in acetate oxidation. In this study we analysed the physiological and metabolic capacities of C. ultunense on genome scale and conducted a comparative study of all known characterised SAOB, namely Syntrophaceticus schinkii, Thermacetogenium phaeum, Tepidanaerobacter acetatoxydans and Pseudothermotoga lettingae. The results clearly indicated physiological robustness beneficial for anaerobic digestion environments and revealed unexpected metabolic diversity with respect to acetate oxidation and energy conservation systems., Unlike S. schinkii and Th. phaeum, C. ultunense clearly does not employ the oxidative WL pathway for acetate oxidation, as its genome (and that of P. lettingae) lack important key genes. In both those species, a proton motive force is likely formed by chemical protons involving putative electron-bifurcating [Fe-Fe] hydrogenases rather than proton pumps. No genes encoding a respiratory Ech hydrogenase, as involved in energy conservation in Th. phaeum and S. schinkii, were identified in C. ultunense and P. lettingae. Moreover, two respiratory complexes sharing similarities to the proton-translocating ferredoxin:NAD⁺ oxidoreductase (Rnf) and the Na+ pumping NADH:quinone hydrogenase (NQR) were predicted. These might form a respiratory chain involved in reduction of electron acceptors other than protons. However, involvement of these complexes in acetate oxidation in C. ultunense and P. lettingae needs further study. This genome-based comparison provides a solid platform for future meta-proteomics and meta-transcriptomics studies and for metabolic engineering, control and monitoring of SAOB.

In this research paper a novel Ultra Violet Photo Catalyst Oxidation (UVPCO) sensor for air and surface sanitization using Common Source (CS) amplifier is presented. The ultra violet photo catalysis is the process in which the highly reactive radicals like H+, OH-and peroxides ions are produced from air in the presence of the ultra violet radiation and photo catalyst. In this process, the free radicals outbreaks the bio aerosols like bacteria, fungus and volatile organic compounds (VOCs) and destroy them. The proposed system is relies on the fast operation of PCS which operates under sub-threshold conditions and reduced computation time. The properties of common source amplifier like very high voltage gain and input output resistance increased the sensitivity as well as stability of the circuit. The system is more user friendly and the outcomes of simulation are fairly in agreement with the theoretical estimation. Keywords: bio aerosol, Photo Catalytic Oxidation (PCO), hydroxyl, hydrogen peroxide, SPICE, surface sanitizer.

The present study aims to unravel the mechanisms of salicylic acid and rehydration and the physiological benefits in pepper plants grown under water deficit. 3x4 factorial scheme adopted, with three water regimes (irrigated, dry and rehydration) and four SA concentrations, namely: 0 (control), 0.5, 1 and 1.5 mM. Evaluated leaf moisture percentage, leaf water potential, chlorophylls (a and b), carotenoids, stomatal conductance, chlorophyll a fluorescence and H2O2 concentration at different times throughout the day and water conditions (irrigated, dry and rehydration) and SA applications (without the addition of the regulator (0) and with SA addition at concentrations equal to 0.5, 1 and 1.5 mM). Exogenous SA application favored stomatal conductance responses(gs) and modified fluorescence parameters (Fm, Fo, Fm', Fo', Fv/Fm, qP, ETR and NPQ) of sweet pepper plants subjected to drought followed by rehydration. SA concentration of 0.5 mM allowed a more expressive recovery of gs indices, effective quantum yield of photosystem II, with emphasis on excess energy (E) and maximum quantum yield (FV/FM) over time in plants subjected to drought and rehydration. We discovered that the use of SA, especially in association with rehydration, by modulating the variables gs and chlorophyll a fluorescence, prevents damage to membranes and consequently mitigates water deficit in pepper plants.

A survey of the trends in metal-ligand coordination and hydrogen bonding has been carried out on complexes of singly deprotonated cyanuric acid CY− and alkaline earth metals, synthesised from aqueous solution and characterised by X-ray crystallography. Involvement of cyanurate in the metal coordination increases from Mg through Ca and Sr to Ba relative to coordination by water, in parallel with the increasing ionic radius and coordination number. The incidence of bridging of metal centres by both water and cyanurate also increases in this series. The Mg complex contains hexaaqua-coordinated cations, uncoordinated CY− anions, and additional water molecules. Ca and Sr complexes feature polymeric chains of coordinated metal ions, the Ca complex with uncoordinated anions and the Sr complex with all potential ligands coordinated. The Ba complex has a two-dimensional coordination network. Extensive hydrogen bonding plays a key role in generating a three-dimensional network in all four structures. The competition between cyanurate and water for coordination to the alkaline earth metal cations, and that between coordination and hydrogen bonding propensities of the cyanurate anion, appear to be finely balanced, with the structural outcomes depending on the relative sizes and degrees of hardness of the four cations of the group.

New composite with core-shell structure based on magnesium hydride and finely dispersed aluminum powder with aluminum oxide shell was mechanically synthesized. We used magnesium chips to produce magnesium hydride and aluminum wire after exploitation to produce nano-sized aluminum powder. The beginning of the hydrogen release from composite occurred at the temperature of 117°C. The maximum desorption temperature from the MgH₂-EEWAl composite (10 wt.%) is 336°C compared to pure magnesium hydride – 417°C. The mass content of hydrogen in the composite is 5.5 wt.%. The positive effect of aluminum powder produced by the electric explosion of wires method on reducing the activation energy of desorption was demonstrated. Calculations showed that the activation energy of desorption for the composite is 106±1 kJ/mol, compared with pure magnesium hydride, whose activation energy was 155±2 kJ/mol. The results obtained make it possible to expand the possibility of using magnesium and aluminum waste for hydrogen energy.

Under the "dual carbon" target in China, virtual power plants (VPPs) play an important role in improving grid security and promoting clean and low-carbon energy transformation. VPPs can integrate and control distributed resources to participate in the energy market and make full use of distributed resources. However, the intermittency and volatility of renewable energy and the "heat-driven" working mode of CHP units create contradictions that seriously affect the peak-shaving ability of VPPs and lead to high carbon emissions. To solve these problems, this paper aggregates CHP units, wind power, photovoltaics, carbon capture, hydrogen energy storage, and electric boilers into a new type of virtual power plant. The "hydrogen energy storage-electric boiler" joint decoupling CHP working mode is used to strengthen the coupling relationship between electric-thermal-hydrogen load. At the same time, a tiered carbon trading mechanism is considered, with the net profit of the VPP as the optimization objective, balancing economic and environmental considerations. A low-carbon economic dispatch model for VPPs is established, and a genetic algorithm is used for optimization. Three different scheduling strategies are set, and simulations are conducted in three different seasonal scenarios. The results show that the net profit in the cooling season increased by 50.4%, and carbon emissions decreased by 42.3%. In the transitional season, the net profit increased by 39.2%, and carbon emissions decreased by 44.9%. In the heating season, the net profit increased by 19.4%, and carbon emissions decreased by 43.4%. Overall, the proposed dispatch strategy can improve the new energy consumption capacity and total revenue of VPPs while achieving the goal of reducing carbon emissions.

The increasing global demand for energy and the pressing challenge of environmental pollution necessitates a paradigm shift towards sustainable energy sources. Hydrogen, a viable renewable energy carrier, has the potential to substantially alleviate these concerns. This review offers a comprehensive exploration of the technologies imperative to the production and operation of fuel cell vehicles (FCVs), ranging from various fuel cell types, hydrogen storage methods, fueling station logistics, batteries in hydrogen vehicles, and the emerging influence of artificial intelligence and quantum computing. An analytical overview of global adoption patterns reveals significant geographical disparities, with the United States and South Korea at the forefront of FCV integration, primarily in the form of passenger cars, followed by buses and trucks. Asia emerges as the region with the highest proportion of FCVs. This paper also delves into the diverse challenges facing FCV implementation, shedding light on the essential role of continued investment in the evolution of sustainable transportation systems. Furthermore, it provides insights into the varying contributions of different companies in the field, demonstrating the collective effort required to advance this promising technology. The comprehensive exploration provided in this review aids in understanding the opportunities, challenges, and potential of hydrogen as an integral player in the future of sustainable transportation. The increasing need for energy carriers and the rise of environmental pollution have driven the exploration of renewable energy sources, with hydrogen being a promising option.

Installations of decentralised Renewable Energy Systems (RES) are becoming increasing popular as governments introduce ambitious energy policies to curb emissions and slow surging energy costs. This work presents a novel model for optimal sizing for decentralised renewable generation and hybrid storage system to create a Renewable Energy Community (REC), developed in Python. The model implements PV Solar and Wind Turbines combined with a hybrid battery and Regenerative Hydrogen Fuel Cell (RHFC). The electrical service demand is derived using real usage data from a rural island case study location. Cost remuneration is managed with an REC virtual trading layer, ensuring fair distribution among actors in accordance with the European RED(III) policy. A multi-objective Genetic Algorithm (GA) stochastically determines the system capacities such that the inherent trade-off relationship between project cost and decarbonisation can be observed. The optimal design results in an LCOE of 0.15€/kWh, reducing costs by over 50% compared with typical EU grid power, with a project IRR of 10.8%, simple return of 9.6%/year, and ROI of 9 years. Emissions output from grid only use is reduced by 72% to 69 gCO2e/kWh. Further research of lifetime economics and additional revenue streams in combination with this work could provide a useful tool for users to quickly design and prototype future decentralised REC systems.

This study presents the synthesis of graphitic carbon nitride (g−C3N4) and its nanostructures with cobalt ferrite oxide (CoFe2O4) and silver nanocubes (Ag) using the combined pyrolysis of melamine and polyol method. The resulted nanostructures were tested as electrocatalysts for hydrogen and oxygen evolution reactions in alkaline media. It was found that the Ag/CoFe2O4/g−C3N4 shows the highest current density and gives the lowest overpotential of −259 mV for HER to reach a current density of 10 mA cm−2 in 1 M KOH. Overpotentials to reach the current density of 10 mA·cm−2 for OER are 370.2 mV and 382.7 mV for Ag/CoFe2O4/g−C3N4 and CoFe2O4/g−C3N4, respectively. The above results demonstrate that CoFe2O4/g−C3N4 and Ag/CoFe2O4/g−C3N4 materials could act as a bifunctional catalyst due to the notable performance towards HER and OER and for total water splitting in practical applications is a promising alternative to noble metal-based electrocatalysts.

Superconductivity in highly-pressurized hydrides became primary direction for the exploration of fundamental upper limit for the superconducting transition temperature, Tc, after Drozdov et al (Nature 2015, 525, 73) discovered superconducting state with Tc=203 K in highly-compressed sulphur hydride. To date several dozens of high-temperature superconducting polyhydrides have been discovered. In addition, recently, it was reported that highly-compressed titanium and scandium exhibit record-high (up to 36 K), which is by manifold exceeded of niobium, which is the record high- ambient pressure metallic superconductor. Here we analysed experimental data on for recently discovered high-pressure superconductors (which exhibit high transition temperatures within their classes): elemental titanium (Zhang et al, Nature Communications 2022; Liu et al, Phys. Rev. B 2022), TaH3 (He et al, Chinese Phys. Lett. 2023), LaBeH8 (Song et al, Phys. Rev. Lett. 2023), and black (Li et al, Proc. Natl. Acad. Sci. 2018) and violet (Wu et al, arXiv 2023) phosphorous, to reveal the nonadiabaticity strength constant, TθTF (where Tθ is the Debye temperature, and TF the Fermi temperature) in these superconductors. The analysis showed that δ-phase of titanium and black phosphorous exhibit the Tθ/TF which are nearly identical to ones associated in A15 superconductors, while studied hydrides and violet phosphorous exhibit the constants in the same ballpark with H3S and LaH10.

In this work, the use of graphite-like carbon nitride (g-C3N4) with improved texture characteristics for the synthesis of supported palladium catalysts of dehydrogenation of nitrogen-containing heterocycles was studied. This process is key to the creation of liquid organic carrier technology (LOHC) using N-heterocycles as reversibly hydrogenated/dehydrogenated substrates. For the preparation of g-C3N4-mca supports with advanced textural characteristics, well-established technology of the melamine cyanurate complex carbonization and standard techniques of adsorption precipitation together with wet impregnation were used for the synthesis of Pd-containing systems. The activity of the synthesized catalysts was studied in decahydroquinoline dehydrogenation. The high weight content of extractable hydrogen (7.2 wt %) and the high extraction rate, respectively, make it possible to consider these substances as the most promising N-heterocyclic compounds for this technology. It was shown that an increase in the specific surface area of g-C3N4 allows for achieving a slightly lower, but comparable fineness of palladium particles for the 1 wt% Pd/MCA-500 sample, compared to the standard 1 wt% Pd/C. In this case, the catalytic activity of 1 wt% Pd/MCA-500 in dehydrogenation of both substrates exceeded the analogous parameter for catalysts supported by nitrogen free supports. This regularity is presumably associated with the electron-donor effect of surface nitrogen, which favorably affects the dehydrogenation rate as well as the stability of catalytic systems.

A new approach to preparing a series of Co/Sm2O3 catalysts for hydrogen production by dry re-forming of methane (DRM) is developed. The catalysts precursors are synthesized by a simple method, including evaporation of aqueous solutions of cobalt and samarium nitrates, followed by a short-term calcination of the resulting material. The as-prepared and spent catalysts are characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), temperature-programmed reduction (H2-TPR), and thermogravimetric analysis (TGA). It is shown that the content of cobalt in the synthesized materials affects their phase composition and carbonization resistance in the DRM reaction. It is demonstrated that preheating under N2 affords catalysts providing stable hydrogen and CO yields of 94-98 % for at least 50 h at 900°C. These yields are among the highest ones currently available for DRM catalysts derived from Co-Sm complex oxides. It is found that reduction in the amount of cobalt in the catalyst and its preheating to an operating temperature of 900°C in a nitrogen flow con-tribute to preventing catalyst carbonization and metal particles sintering.

Alunogen, Al2(SO4)3·17H2O, occurs as an efflorescent in acid mine drainage, low-temperature fumarolic or pseudofumarolic (at coal fires) terrestrial environments. It is considered as one of the main Al-sulfates of Martian soils demanding comprehensive crystal chemical data of natural terrestrial samples. However, structural studies of natural alunogen were carried out in 1970s without localization of H atoms and have not previously been performed for samples from geothermal fields, despite the fact that these environments are considered as proxies of the Martian conditions. The studied alunogen sample comes from Verkhne-Koshelevsky geothermal field (Koshelev volcano, Kamchatka, Russia). Its chemical formula is somewhat dehydrated, Al2(SO4)3×15.8 H2O. The crystal structure was solved and refined to R1 = 0.068 based on 5112 unique observed reflections with I > 2σ(I). Alunogen crystalizes in P-1 space group, a = 7.4194(3), b = 26.9763(9), c = 6.0549(2) Å, α = 90.043(3), β = 97.703(3), γ = 91.673(3) °, V = 1200.41(7) Å3, Z = 2. The crystal structure consists of isolated SO4 tetrahedra, Al(H2O)6 octahedra and H2O molecules connected by hydrogen bonds. The structure refinement includes Al, S and O positions that are similar to previous structure determinations and thirty-four H positions localized for the natural sample first. The study also shows the absence of isomorphic substitutions in the composition of alunogen despite the iron-enriched environment of mineral crystallization. The variability of the alunogen crystal structure is reflected in the number of “zeolite” H2O molecules and their splitting. The structure complexity of alunogen and its modifications ranges from 333-346 bits/cell for models with non-localized H atoms to 783-828 bits/cell for models with localized H atoms. The higher values correspond to higher hydration state of alunogen.

Oxidative stress driven by several environmental and local airway factors associated with chronic obstructive bronchiolitis, a hallmark feature of COPD, plays a crucial role in the disease pathomechanism. Unbalance between oxidants and antioxidant defense mechanisms not only amplifies the local inflammatory processes, but it also worsens cardiovascular health and contribute to the COPD related cardiovascular dysfunctions and mortality. The current review summarizes recent developments in our understanding of different mechanisms contributing to oxidative stress and its countermeasures with special attention to those that link local and systemic processes. Major regulatory mechanisms orchestrating these pathways are also introduced together with some suggestions for further research on the field.

Intestinal gases are usually discarded as physiologically inert, useless sub-products of colonic fermentation that must be expelled to prevent discomfort and meteorism. Starting from the observation that many living beings use exogenous and/or endogenous gases to attain evolutionary benefits, we question whether intestinal gases in healthy humans could have underestimated physiological effects, either intestinal or extra-intestinal. We examine gaseous volume, composition, source and local distribution in proximal as well as distal gut, providing extensive data that may serve as reference for future studies. We analyze each one of the most abundant intestinal gases and describe their diffusive patterns, active trans-barrier transport dynamics, chemical properties, intra-/extra-intestinal metabolic effects mediated by intracellular, extracellular, paracrine and distant actions. Discussing the physical properties of the whole intestinal gaseous mixture, we illustrate how changes in volume/pressure can be generated by two different mechanisms, namely, physical muscular gut contraction and biological colonic fermentation, with quite different metabolic outcomes. The experimental gas laws suggest that the gaseous exchanges between lumen and bloodstream are impaired by muscular contraction and improved by muscular relaxation. In turn, the surface-area-to-volume ratio suggests that the gaseous exchanges are impaired by microorganismal overproduction and improved by microorganismal reduction. Further, theoretical stochastic approaches from probability theory indicate that the non-turbulent, random paths of gas molecules inside colonic haustra do not homogenously spread over the whole mucosal surface. This means that the intestinal area available for lumen/blood metabolic exchanges is much less than expected not just in disease states, but also in healthy individuals.

The North Sea Offshore Grid concept has been envisioned as a promising alternative to: 1) ease the integration of offshore wind and onshore energy systems, and 2) increase the cross-border capacity between the North Sea region countries at low cost. In this paper we explore the techno-economic benefits of the North Sea Offshore Grid using two case studies: a power-based offshore grid, where only investments in power assets are allowed (i.e. offshore wind, HVDC/HVAC interconnectors); and a power-and-hydrogen offshore grid, where investments in offshore hydrogen assets are also permitted (i.e. offshore electrolysers, new hydrogen pipelines and retrofitted natural gas pipelines). We compare these scenario results with a business as usual scenario, in which offshore wind is connected radially to the shore and no offshore grid is deployed. All scenarios are run with the IESA-NS model, without any specific technology ban and under open optimization. This paper also presents a novel methodology, combining Geographic Information Systems and Energy System Models, to cluster offshore spatial data and define meaningful offshore regions and offshore hub locations. This novel methodology is applied to the North Sea region to define nine offshore clusters taking into account offshore spatial claims, and identifying suitable areas for single-use and multi-use of space for renewable energy purposes. The scenario results show that the deployment of an offshore grid provides relevant cost savings, ranging from 1% to 4.1% of relative cost decrease (2.3 bn € to 8.7 bn €) in the power-based, and ranging from 2.8% to 7% of relative cost decrease (6 bn € to 14.9 bn €) in the power-and-hydrogen based. In the most extreme scenario (H2) an offshore grid permits to integrate 283 GW of HVDC connected offshore wind and 196 GW of HVDC meshed interconnectors. Even in the most conservative scenario (P1) the offshore grid integrates 59 GW of HVDC connected offshore wind capacity and 92 GW of HVDC meshed interconnectors. When allowed, the deployment of offshore electrolysis is considerable, ranging from 61 GW to 96 GW, with capacity factors of around 30%. Finally, we also find that, when imported hydrogen is available at 2 €/kg (including production and transport costs), large investments in an offshore grid are not optimal anymore. In contrast, at import costs over 4 €/kg imported hydrogen is not competitive.

At present, the world is at the peak of production of traditional fossil fuels. Much of the resources that humanity has been consuming (oil, coal and natural gas) are coming to an end. The human being faces a future that must necessarily go through a paradigm shift, which includes a progressive movement towards increasingly less polluting and energetically viable resources. In this sense, nanotechnology has a transcendental role in this change. For decades, new materials capable of being used in energy processes have been synthesized that undoubtedly will be the cornerstone of the future development of the planet. In this review, we report on the current progress in the synthesis and use of one-dimensional (1D) nanostructured materials (specifically nanowires, nanofibers, nanotubes and nanorods), with compositions based on oxides, nitrides, or metals, for applications related to energy. Due to its extraordinary surface-volume relationship, tunable thermal and transport properties, and its high surface area, these 1D nanostructures have become fundamental elements for the development of energy processes. The most relevant 1D nanomaterials, their different synthesis procedures, and useful methods for assembling 1D nanostructures in functional devices will be presented. Applications in relevant topics such as optoelectronic and photochemical devices, hydrogen production or energy storage, among others, will be discussed. The present review concludes with a forecast on the directions towards which future research could be directed on this class of nanostructured materials.

The KID (Koopmans in DFT) procedure usually applies in organic molecules of the closed–shell type. We used the KID procedure in an open–shell system for the first time to choose the most suitable density functional to compute global and local reactivity descriptors coming from the Conceptual Density–Functional Theory. From a set of 18 density functionals spread from the second until the fourth rung of the Jacob’s ladder: BP86, B97-D, BLYP, CAM-B3LYP, M06-L, M11-L, MN12-L, B3LYP, PBE0, N12-SX, M06-2X, M11, MN12-SX, CAM-B3LYP, LC-ωHPBE, ωB97X-D, APFD, MN15 and MN15-L, we concluded that CAM-B3LYP provides the best outcome.

Glucose-sensitive films were prepared by the layer-by-layer (LbL) deposition of poly(ethyleneimine) (H-PEI) solution and DNA solution (containing glucose oxidase (GOx)). H-PEI/DNA+GOx multilayer films were constructed using electrostatic interactions. The (H-PEI/DNA+GOx)5 film was then partially decomposed by hydrogen peroxide (H2O2). The mechanism for the decomposition of the LbL film was considered to involve a more reactive oxygen species (ROS) that was formed by the reaction of hemin and H2O2, which then caused nonspecific DNA cleavage. GOx present in the LbL films reacts with glucose to generate hydrogen peroxide. Therefore, decomposition of the H-PEI/DNA+GOx)5 film was observed when the thin film was immersed in a glucose solution. A (H-PEI/DNA+GOx)5 film exposed to a glucose solution for periods of 24, 48 72, and 96 h indicated decomposition of the film increased with the time. The rate of LbL film decomposition increased with the glucose concentration. At pH and ionic strength close to physiological conditions, it was possible to slowly decompose the LbL film at a sub-millimolar glucose concentration.

The motivation of this work is to investigate experimentally the influence of non-thermal plasma (NTP) application on the reaction kinetics of atmospheric pressure steam gasification of charcoal using a thermostatically controlled drop tube reactor. A gliding-arc generator provides about 1 kW electrical power NTP. For comparison thermal gasification is investigated under comparable flow and specific energy input conditions providing additional heat to the steam. Optical temperature measurement 20 cm flow down of the NTP zone is utilized to characterize the specific enthalpy of the reactive flow. The composition of produced syngas is measured by a gas analyzer and used for the calculation of gas flow rates. The results show a NTP-enhancement on the production of individual syngas components (H2, CO, CH4), especially on hydrogen production by around 39%. The syngas-based carbon conversion and hydrogen release are calculated from the carbon and hydrogen balance between the correspondent content in syngas and in the feedstock. The NTP promoted the carbon conversion and hydrogen release by 25% and 31%, respectively. The first-order reaction kinetics are determined by data-fitting in an Arrhenius diagram. The plasma enhanced the reaction rate coefficients by 27%. Based on experimental results and other literature, possible plasma-induced reactions are proposed.

Nowadays, the imidazolium-based ionic liquids containing acetate counter-ions are attracting much attention as both highly selective absorbents of the acidic gases and CO₂ carriers in the supported ionic liquid membranes. In this regard, the investigation of the gas transport properties of such membranes may be appropriate for better understanding of various factors affecting the separation performance and the selection of the optimal operating conditions. In this work, we have tested CH₄, CO₂ and H₂S permeability across the SILM impregnated by 1-butyl-3-methylimidazolium acetate (bmim[ace]) with the following determination of the ideal selectivity in order to compare the facilitated transport membrane performance with the SILM that dissolves acidic gases physically, namely, containing 1-butyl-3-methylimidazolium tetrafluoroborate (bmim[BF₄]). Both SILMs have showed modest individual gases permeability and ideal selectivity of CO₂/CH₄ and H₂S/CH₄ separation that achieves values up to 15 and 32, respectively. The effect of the feed gas mixture composition on the permeability of acidic gases and permeselectivity of the gas pair was investigated. It turned out that the permeation behavior for the bmim[ace]-based SILM toward the binary CO₂/CH₄, H₂S/CH₄ and ternary CO₂/H₂S/CH₄ mixtures was featured with high acidic gases selectivity due to the relatively low methane penetration through the liquid phase saturated by acidic gases.

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

Substituted bis(iminophosphoranyl)methanes are CH acidic compounds that can form complexes with formally dianionic central carbon centres. The reaction of H₂C(Ph₂P=NDip)₂ (≡ H₂L), Dip = 2,6-diisopropylphenyl, with one equivalent of di-n-butylmagnesium afforded the methanide complex [HLMgnBu] 1. Treatment of complex 1 with phenylsilane in aromatic solvents at elevated temperatures afforded the methanediide complex [(LMg)₂] 2 presumably via the MgH intermediate [(HLMgH)_n] (n = 1 or 2). The reaction of 1 with LiAlH₄ in diethyl ether yielded the AlH complex [HLAlH₂] 3. Alternatively, this complex was also obtained from the reaction of H₂L with AlH₃∙NMe₃. The molecular structures of [HLMgnBu] 1, [(LMg)₂] 2, and [HLAlH₂] 3 are reported. Complex 3 shows no sign of H₂ elimination to a methanediide species at elevated temperatures in contrast to the facile elimination of the putative reaction intermediate [(HLMgH)_n] (n = 1 or 2) to form [(LMg)₂] 2. The chemical properties of complex 2 were investigated and this complex appears to be stable against coordination with strong donor molecules.

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.

Reactive oxygen species (ROS) play an important role in biological processes and offer hope for the development of effective treatments for ROS-dependent diseases, including cancer. The interaction of hydrogen peroxide with proteins stimulates the creation of chemical molecules that can weaken or stop the pathological process in cancer. However, reliable drugs have not yet been described. To understand the reason for the failure, we studied the behavior of ROS-containing compounds in cancer cells. The epidermal growth factor receptor (EGFR) is activated by interaction with a ligand protein, as well as by binding the chemical structure of hydrogen peroxide to the catalytic cysteine in the intracellular domain. Both mechanisms trigger signaling pathways in cells. The EGFR can be inactivated by protein tyrosinase phosphatase PTP-1B, which itself is activated by hydrogen peroxide. A simple in-gel fluorescence technique was used to demonstrate the rapid binding of hydrogen peroxide to a large number of proteins, including both activating and inactivating target proteins. Natural defense systems take longer to action and apparently cannot prevent hydrogen peroxide from binding to protect cells from exposure to unwanted proteins. Therefore, superoxide dismutase, which produces hydrogen peroxide, is not a suitable target for disease therapy.

: This study presents energy and exergy analyses conducted on a Gifford-McMahon cycle refriger-ator. Through detailed numerical simulations, the performance of the refrigerator is thoroughly assessed, with a particular focus on energy and exergy losses. The obtained results are compared with Sankey and Grassman diagrams, providing visual representations of energy and exergy flows within the system. The localization of exergy losses is carefully analysed to identify key areas for optimization aimed at enhancing efficiency and power output. By pinpointing sources of ex-ergy destruction, targeted improvements can be implemented to maximize the overall perfor-mance of the refrigerator. Overall, this research contributes to a deeper understanding of the thermodynamic behaviour of Gifford-McMahon cycle refrigerators and provides valuable insights for optimizing their performance in practical applications.

There have been many researches on the surface acoustic wave (SAW) sensors for detecting sulfur-containing toxic or harmful gases. This paper aims to give an overview of the current state of the polymer films used in SAW sensors for detecting deleterious gases. By covering most of the important polymer materials, the structures and types of polymers are summarized, and a variety of devices with different frequency, such as delay lines and array sensors for detecting mustard gas, hydrogen sulfide and sulfur dioxide are introduced. The preparation method of polymer films, the sensitivity of the SAW gas sensor, the limit of detection, the influence of temperature and humidity, and the anti-interference ability are discussed in detail. The advantages and disadvantages of the films are also analyzed, and the potential application of polymer films in the future is also forecasted.

A two-step, one-pot synthesis of 3-substituted 1H-dibenzo[e,g]indazoles in good to high yields via a LiOtBu-promoted intramolecular cyclization of 2’-alkynyl-biaryl-2-aldehyde N-tosylhydrazones, formed in situ by the reactions of 2’-alkynyl-biaryl-2-aldehydes with p-methylbenzenesulfonohydrazide was developed. Two kinds of hydrogen bonds forming in several products were observed in DMSO-d6 solution in 1H NMR spectroscopic data, which were assigned to the formation of solvated products and dimers of products, supported by the studies of density functional theory (DFT).

The copolyester of 3-hydroxybutyrate (3HB) and 3-hydoxyhexanoate (3HHx), PHBHHx, is a bi-odegradable plastic that has a high flexibility, softness, wide process window and marine bio-degradability. PHBHHx is usually produced from structurally related carbon sources such as vegetable oils or fatty acids but not from inexpensive carbon sources like sugars. In the previous studies, we demonstrated that engineered strains of hydrogen-oxidizing bacterium, Cupriavidus necator synthesized PHBHHx with high cellular content from not only sugars but also from CO2 as the sole carbon source in the flask culture. In this study, highly efficient production of PHBHHx from CO2 was investigated by pH-stat jar cultivation of the recombinant C. necator strains with feeding the substrate gas mixture (H2/O2/CO2=8:1:1) to complete mineral medium in recycled-gas closed-circuit culture system. As the result with the strain MF01/pBPP-ccrMeJAc-emd, the dry cell mass and PHBHHx concentration reached up to 59.62 ± 3.18 g･L-1 and 49.31 ± 3.14 g･L-1, respectively after 212 h of jar cultivation with limited addition of ammonia and phosphate solutions. The 3HHx composition was close to 10 mol% which is suitable for practical applica-tions. It is expected that autotrophic cultivation of the recombinant C. necator can be a feasible process for mass production of PHBHHx from CO2.

Breakthrough curves for the adsorption of H2S using a metal-oxides mixture were predicted using the Bohart-Adams model of fixed bed adsorption. This mixture (ZnMn2O4+ZnO+Mn2O3) came from the processing of an urban waste as spent alkaline batteries were. The H2S adsorption experiments were carried out in a fixed-bed column at 20º C, and under various experimental conditions: gas flow rate, inlet H2S concentration and adsorbent dosage. Curves predicted by the model matched well with experimental data, providing data for the possible scale-up of the system. At the various experimental variables, the efficiency of the column, were also provided in the work. This investigation demonstrated the usefulness of a waste material, like spent alkaline batteries, to provide an adsorbent material to mitigate the problem of the presence of this harmful gas.

The microstructure of oil pipeline steels is polycrystalline due to the presence of a complex grain boundary (GB) network in them. The performance of them when exposed to stresses in corrosive environments is largely dictated by the interplay between the hydrogen (H) diffusion, the dislocation slip, and their interactions with the GBs. However, the slip-GB interaction in the presence of H and the subsequent cracking along the GBs remains not fully understood up to date. It is challenging to simultaneously resolve the collective dislocation motions away from the GBs together with the H diffusion near the atomically structured GBs using single-scale techniques. To address this challenge, taking bcc iron as a model material, here we present a a concurrent atomistic-continuum (CAC) computational analysis of the interaction between dislocation slip and a H-charged GB. With the large number of dislocations-mediated plastic flow away from the GB together with the atomistic structure evolution at the GB being simultaneously retained, several main findings from our simulations are: (i) the large number of dislocation-mediated pileup-induced internal stress nearby the H-charged GB can be as high as 3GPa; (ii) the more dislocations accumulated nearby the GB, the slower H diffusion ahead of the slip-GB intersection; (iii) H atoms diffuse fast behind the pileup tip, get trapped within the GB, and diffuse slow ahead of the pileup tip; (iv) the local stresses nearby the pileup tip exhibits a strong heterogeneity along the dislocation line direction. This differs from the common wisdom in many existing 2D theories/models. The buildup of such a high local stress heterogeneity leads to inhomogeneous H diffusion within the GB plane. The CAC simulation-predicted local H diffusivity, Dpileup−tip, and local stresses, σ, nearby the GB are then correlated with each other and consolidated into a mechanics model by considering the dislocation pileup as an Eshelby inclusion. These findings will provide researchers with opportunities to: (a) characterize the coupled dynamics between plasticity, H diffusion, and crack initiation underlying the hydrogen-induced cracking (HIC); (b) develop mechanism-based constitutive rules to be used in diffusion-plasticity coupling models for understanding the interplay between mechanical and mass transport in materials at the continuum level; and (c) connect the atomistic deformation physics of polycrystalline materials with their overall performance in aqueous environments, which is currently difficult to achieve in laboratory experiments.

In this work, we present a new way to study the genetic code mathematical and chemical structure, based on the use of mathematical computations involving some few recently designed Fibonacci-like sequences, the “seeds” (“initial conditions”) of which are chosen according to the chemical and physical data of the three amino acids serine, arginine and leucine, playing a prominent role in a recent symmetry classification scheme of the genetic code. It appears that these mathematical sequences, of the same kind as the famous Fibonacci series, apart from their usual recurrence relations, are highly interwinned by many useful linear relationships. Using these sequences and also various sums or linear combinations of them, we derive several physical and chemical quantities of interest, as the number of total coding codons, 61, obeying various degeneracy patterns, the detailed number of hydrogen atoms, the detailed number of atoms (H/CNOS) and the integer molecular mass (or nucleon number), in the side chains of the 61 “amino acids”, also in various degeneracy patterns, in agreement with those described in the literature. Also, unexpectedly but interestingly, we find, as a by-product, an accurate description of the very chemical structure of the four ribonucleotides uridine monophosphate (UMP), cytidine monophosphate (CMP), adenosine monophosphate (AMP) and guanosine monophosphate (GMP), the building blocks of RNA whose groupings, in three units, constitutes the triplet codons. In summary, we find a full mathematical and chemical connection with the “ideal sextet’s classification scheme” mentioned above as well as with several others, notably, the Findley-Findley-McGlynn symmetrical classification. We organize the content of the text in such a way that, besides the presentation of several new research results, it has also an educational dimension. The paper could therefore be read and the computations easily worked out, also by non-experts with mathematical background.

The global trade and transportation sectors heavily rely on the maritime industry. Still, its dependence on fossil energy sources poses significant environmental challenges and leads to unstable fuel prices that affect the cost of goods transported by sea. This paper aims to evaluate the viability of seaports as energy-intensive entities and explore the feasibility of implementing a Nuclear-Renewable Hybrid Energy System (NRHES). The study presents a case study of the Tanjung Priok Port in Indonesia, focusing on estimating energy consumption, emissions, and the potential impact of carbon taxation on seaport operations. By quantifying these factors, the research provides insights into the energy requirements, environmental effects, and potential costs associated with seaport carbon taxation. A comprehensive analysis of the technical and economic feasibility of implementing an NRHES in the seaport case study is conducted, determining the optimal sizing and composition of components, considering the proportion of nuclear and renewable energy sources. Additionally, the economic analysis considers energy costs, net present cost, cash flow, return on investment, and internal rate of return. The findings aim to inform decision-makers about the benefits and challenges of adopting an NRHES, contributing to a cleaner and more sustainable future for the maritime industry.

Atmospheric corrosion of aluminum aircraft structures occurs due to numerous reasons. A typical phenomenon leading to corrosion is the deliquescence of contaminants such as salts due to changes in relative humidity (RH) caused by aircraft operation at different altitudes and climate zones. Currently, corrosion of aircrafts is controlled by scheduled inspections. In contrast, the present contribution aims for a continuous monitoring approach by using the acoustic emission (AE) method to detect and further evaluate atmospheric corrosion. The AE method is frequently used for corrosion detection at typically immersion-like conditions or for corrosion types where stress-induced cracking is involved. However, it has not yet been demonstrated for atmospheric corrosion at unloaded aluminum structures. To address this question, the present investigation uses small droplets of a corrosive sodium chloride (NaCl) solution to induce atmospheric corrosion on aluminum alloy AA2024-T351. Operating conditions of an aircraft are simulated by a controlled variation in RH. In addition, videos of the corrosion site are recorded to visually observe the corrosion process. Pitting corrosion is generated and clearly measurable AE signals are detected. An automatic video processing algorithm looking for sudden changes on the corrosion site mainly detects hydrogen bubbles formed when aluminum reacts with aqueous solutions. A clear correlation between the observed pitting corrosion, the AE and the hydrogen bubble activity and the RH, i.e., the electrolyte present at the aluminum surface, is found. Thus, the findings demonstrate the applicability of the AE method for monitoring atmospheric corrosion of aluminum aircraft structures by today’s measurement equipment. Numerous potential effects that can cause measurable AE signals are investigated and discussed. Among these, bubble activity is clearly considered to be the most emissive one.

The choice of effective biocides used for routine hospital practice should consider the role of disinfectants in the maintenance and development of local resistome and how they might affect antibiotic resistance gene transfer within the hospital microbial population. Currently, there is little understanding of how different biocides contribute to eDNA release that may contribute to gene transfer and subsequent environmental retention. Here we investigated how different biocides affected the release of eDNA from mature biofilms of two opportunistic model strains Pseudomonas aeruginosa ATCC 27853 (PA) and Staphylococcus aureus ATCC 25923 (SA) and contribute to the hospital resistome in the form of surface and water contaminants and dust particles. The effect of four groups of biocides including alcohols, hydrogen peroxide, quaternary ammonium compounds, and polymeric guanidines were evaluated using PA and SA biofilms. Most biocides, except for PHMG-Cl and 70% ethanol, caused substantial eDNA release and PHMG-Cl was found to block biofilm development when used at concentrations of 0.5% and 0.1%. This might be associated with the formation of DNA-PHMG-Cl complexes as PHMG-Cl is predicted to bind to AT base pairs by molecular docking assays. PHMG-Cl was found to bind high molecular DNA and plasmid DNA and continued to inactivate DNA on surfaces even after four weeks. PHMG-Cl also effectively inactivated biofilm-associated antibiotic resistance gene eDNA released by a pan-drug-resistant Klebsiella strain which demonstrates the potential of PHMG-Cl as a new surface-active agent to combat the spread of antibiotic resistance in hospital settings.

Specific aquaporins (AQP), called peroxyporins, play a relevant role in controlling H2O2 permeability and ensure reactive oxygen species wasting during oxidative stress. Another target involved in oxidative stress is the Sigma1 Receptor (S1R), since its activation is triggered by oxidative or endoplasmic reticulum stress. Herein we evaluated the effect of S1R modulators on AQP-dependent water permeability in the presence and in the absence of oxidative stress. Applying stopped-flow light scattering and fluorescent probe methods, water and hydrogen peroxide permeability in Hela cells have been studied. Results evidenced that S1R agonists can restore water permeability in heat-stressed cells and the co-administration with a S1R antagonist totally counteracted the ability to restore the water permeability. All compounds except one were able to counteract the oxidative stress of HeLa cells specifically knocked down for S1R. Taken together, our results support the hypothesis that the investigated compounds act as dual aquaporin and Sigma1 receptor (DAS) modulators. The finding that small molecules can modulate both AQP and S1R opens a new direction toward the identification of innovative drugs able to regulate cell survival during oxidative stress in pathologic conditions, like cancer and degenerative diseases.

Three-dimensional structure of six closely related hydrogenases from purple bacteria has been modeled by combining template-based and ab initio modeling approach. The results lead to conclusion that there should be 4Fe3S-cluster in the structure of these enzymes. Thus, these hydrogenases could drive attention for exploring their oxygen tolerance and practical applicability in hydrogen fuel cells. Analysis of 4Fe3S-cluster's microenvironment showed intragroup heterogeneity. Possible function of the C-terminal part of the small subunit in membrane binding has been discussed. Comparison of the built models with existing hydrogenases of the same subgroup (membrane-bound oxygen-tolerant hydrogenases) has been carried out. Analysis of intramolecular interactions in the large subunits showed statistically reliable differences in number of hydrophobic interactions and number of ionic interactions. Molecular tunnels were mapped in the models and compared with structures from PDB. Protein-protein docking showed that these enzymes could exchange electrons in oligomeric state, which is important for oxygen-tolerant hydrogenases. Molecular docking with model electrode compounds showed mostly the same results as with hydrogenases from E.coli, H. marinus, R. eutropha, S. enterica; some interesting results were shown in case of HupSL from Rba. sphaeroides and Rvx. gelatinosus.

Reducing emissions from the iron and steel industry is essential to achieve the Paris climate goals. A new system to reduce the carbon footprint of steel production is proposed in this article by coupling hydrogen direct reduction of iron ore (H-DRI) and natural gas pyrolysis on liquid metal surface inside a bubble column reactor. If grid electricity from EU is used, the emissions would be 435 kg CO₂/tls without considering methane leakage from the extraction, storage and transport of natural gas. Solid carbon, produced as a by-product of natural gas decomposition, finds applications in many industrial sectors, including as a replacement for coal in coke ovens. Specific energy consumption (SEC) of the proposed system is approximately 6.3 MWh per ton of liquid steel(tls). It is higher than other competing technologies, 3.48 MWh/tls for water electrolysis based DRI, and, 4.3-4.5 MWh/tls for natural gas based DRI and blast furnace-basic oxygen furnace (BF-BOF) respectively. Utilization of large quantities of natural gas, where the carbon remains unused, is the major reason for high SEC. Preliminary analysis of the system revealed that it has the potential to compete with existing technologies to produce CO₂ free steel, if renewable electricity is used. Further studies on the kinetics of the bubble column reactor, H-DRI shaft furnace, design and sizing of components, along with building of industrial prototypes are required to improve the understanding of the system performance.

Amorphous solid dispersions are considered a promising formulation strategy for the oral delivery of poorly soluble drugs. The limiting factor for the applicability of this approach is the physical (in)stability of the amorphous phase in solid samples. Minimizing the risk of reduced shelf life for a new drug by establishing a suitable excipient/polymer-type from first principles would be desirable to accelerate formulation development. Here we perform Molecular Dynamics simulations to determine properties of blends of eight different polymer-small molecule drug combinations for which stability data is available from a consistent set of literature data. We calculate thermodynamic factors (mixing energies) as well as mobilities (diffusion rates and roto-vibrational fluctuations). We find that either of the two factors, mobility and energetics, can determine the relative stability of the amorphous form for a given drug. Which factor is rate limiting depends on physico-chemical properties of the drug and the excipients/polymers. The methods outlined here can be readily employed for an in-silico pre-screening of different excipients for a given drug to establish a qualitative ranking of the expected relative stabilities, thereby accelerating and streamlining formulation development.

In this work, we investigated the effects of heat treatment on the microstructure, hydrogen storage characteristics and corrosion rate of a Ti₃₄V₄₀Cr₂₄Fe₂ alloy. The arc melted alloy was divided into three samples, two of which were separately quartz-sealed under vacuum and heated to 1000 °C for 1 h; one of these samples was quenched and the other furnace cooled to ambient temperature. The crystal structures of the samples were studied via X-ray diffractometry and scanning electron microscopy. Absorption/desorption characteristics were investigated using a Sievert apparatus. Potentiostat corrosion tests on the alloys were performed using an AutoLab^® corrosion test apparatus and electrochemical cell. All samples exhibited a mixture of body-center-cubic (BCC) and Laves phase structures. The corrosion rate, maximum absorption, and useful capacities increased after both heat treatments. The annealed sample had the highest absorption and reversible capacity. The plateau pressure of the as-cast alloy increased after quenching. The corrosion rate increased from 0.0004 mm/y in as-cast sample to 0.0009 mm/y after annealing and 0.0017 mm/y after quenching, due to a decrease in the Cr-content of the C14 phase.

The triplet excited state reactivity towards phenolic hydrogen of the -diketones benzil and 2,2´-furil in the ionic liquid 1-n-butyl-3-methyl imidazolium hexafluorophosphate [bmim.PF6] was investigated employing the nanosecond laser flash photolysis technique. Irradiation (lmax=355 nm) of benzil yields its triplet excited state with lmax at 480 nm and tT=9.6 μs. Under the same conditions, 2,2’-furil shows a triplet-triplet absorption spectrum with bands at 380, 410, 450, and 650 nm and tT=1.4 μs. Quenching rate constants (kq) of the reaction between benzil triplet and substituted phenols ranged from 1.4x107 L mol-1 s-1 (para-chlorophenol) to 1.8x108 L mol-1 s-1 (para-methoxyphenol). A new transient was formed in all cases, assigned to the benzil ketyl. Similar results were obtained for the quenching of 2,2’-furil triplet by phenols, for which kq ranged from 1.9x108 L mol-1 s-1 (para-chlorophenol) to 2.2x108 L mol-1 s-1 (para-methoxyphenol). The 2,2’-furil ketyl radical was also observed in all cases (lmax=380 nm). The quenching rate constants are almost independent of the substituent and diffusion-controlled (kq ~ 108 L mol-1 s-1). The proposed mechanism for the phenolic hydrogen abstraction by benzil and 2,2´-furil triplet may involve a proton-coupled electron transfer reaction, ultimately leading to the radical pair ketyl/aryloxyl.

Swarf of aluminum alloy with high corrosion resistance and ductility was successfully converted into fine hydroreactive powders via its ball milling with silver powder and either lithium chloride or gallium. The later substances significantly intensified particle size reduction, while silver formed ‘cathodic’ sites (Ag, Ag2Al) promoting Al corrosion in aqueous saline solutions with hydrogen generation. The diffraction patterns, microphotographs, and elemental analysis results demonstrated partial aluminum oxidation in the samples and their contamination with tungsten carbide from milling balls. Those effects were responsible for obtaining hydrogen yields lower than expected. For AlCl3 solution at 60 °C, Al–LiCl–Ag, Al–LiCl, Al–Ga–Ag, and Al–Ga composites delivered (84.6±0.2), (86.8±1.4), (80.2±0.5), and (76.7±0.7)% of the expected hydrogen respectively. Modification with Ag promoted Al oxidation thus providing higher hydrogen evolution rates. The samples with Ag were tested in CaCl2 solution as well, for which the reaction proceeded much slower. At a higher temperature (80 °C) after 3 h of experiment, the hydrogen yields for Al–LiCl–Ag and Al–Ga–Ag powders were (46.7±2.1) and (31.8±1.9)%. The tested Ag-modified composite powders were considered promising for hydrogen generation and had a potential for further improvement to provide higher performance.

Hydrogen sulfide (H2S) is an environmental toxicant of health concern. The brain is a major target in acute H2S poisoning. This study was to test the hypothesis that acute and subchronic ambient H2S exposures alter the brain metabolome. Male 7-8 week-old C57BL/6J mice were exposed by whole-body inhalation to 1000 ppm H2S for 45 min and euthanized at 5 min or 72 h for acute exposure. For subchronic study, mice were exposed to 5 ppm H2S 2 h/day, 5 days/week for 5 weeks. The brainstem was removed for metabolomic analysis. Enrichment analysis showed the metabolomic profiles in acute and subchronic H2S exposures matched with those of cerebral spinal fluid from patients with seizures or Alzheimer’s disease. Acute H2S exposure decreased excitatory neurotransmitters, aspartate and glutamate, while the inhibitory neurotransmitter, serotonin, was increased, which may explain H2S-induced loss of consciousness. Branched-chain amino acids and glucose were increased by acute H2S exposure. Subchronic H2S exposure within OSHA guideline surprisingly decreased serotonin altering central nervous system. In subchronic H2S exposure, glucose was decreased while polyunsaturated fatty acids, inosine, and hypoxanthine were increased. Collectively, these results provide important mechanistic clues of acute and subchronic ambient H2S poisonings and show that H2S alters brainstem metabolome.

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

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

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 goal of this work is to develop a sustainable value chain of carbonaceous adsorbents that can be produced from the solid fibrous digestate (SFD) of biogas plants and further applied in integrated desulphurisation-upgrading (CO2/CH4 separation) processes of biogas to yield high purity biomethane. On this purpose, physical and chemical activation of the SFD derived biochar was optimised to afford micro-mesoporous activated carbons (ACs) of high BET surface area (590-2300 m2g−1) and enhanced pore volume (0.57-1.0 cm3g−1). Gas breakthrough experiments from fixed bed columns of the obtained ACs, using real biogas mixture as feedstock, unveiled that the physical and chemical activation conclude to different types of ACs which are sufficient for biogas upgrade and biogas desulphurisation respectively. Performing breakthrough experiments at three temperatures close to ambient it was possible to define the optimum conditions for enhanced H2S/CO2 separation. It was also concluded that the H2S adsorption capacity is significantly affected by restriction to gas diffusion. Hence, the best performance was obtained at 50 oC and the maximum observed in the H2S adsorption capacity vs the temperature is attributed to the counterbalance between adsorption and diffusion processes.

We developed a transparent and flexible electrochemical sensor using a platform based on a network of single-walled carbon nanotubes (SWCNTs) for the non-enzymatic detection of hydrogen peroxide (H2O2) released from living cells. We decorated the SWCNT network on a poly(ethylene terephthalate) (PET) substrate with platinum nanoparticles (PtNPs) using a potentiodynamic method. The PtNP/SWCNT/PET sensor synergized the advantages of a flexible PET substrate, a conducting SWCNT network, and a catalytic PtNP, and demonstrated good biocompatibility and flexibility, enabling cell adhesion. The PtNP/SWCNT/PET-based sensor demonstrated enhanced electrocatalytic activity towards H2O2 as well as excellent selectivity, stability, and reproducibility. The sensor exhibited a wide dynamic range of 500 nM to 1 M, with a low detection limit of 228 nM. In addition, Furthermore, the PtNP/SWCNT/PET sensor remained operationally stable even after bending at various angles (15°, 30°, 60°, and 90°) with no noticeable loss of current signal. These outstanding characteristics enabled the PtNP/SWCNT/PET sensor to be practically applied for the direct culture of HeLa cells and the real-time monitoring of H2O2 release by the HeLa cells under drug stimulation.

Integrating numerous renewable resources has been extensively researched and studied to create a dependable energy system. This study investigated the best techno-economical hybrid energy system configuration while using hydrogen energy to keep the system's energy balanced. Additionally, this study aims to determine the best hybrid system configuration for the location under investigation. A novel technique of DBM (Deterministic Balanced Method) was introduced to determine the total annual energy output for the project's lifetime. This approach is used to contrast the outcomes of other HOMER software tools. Then, using HOMER, it is possible to confirm the sizing optimization results for the suggested method by comparing the power ratings and yearly energy output. A detailed comparison between our proposed method and HOMER Pro has been conducted for validation and verification. Our method has been rigorously tested in various hybrid off-grid energy systems, ensuring its applicability and reliability across different scenarios and configurations. The results of our study indicate a high degree of similarity between the proposed approach and HOMER pro for computing annual energy power for the studied energy systems. Specifically, our analysis revealed that the difference between the approaches was within a range of 5%, indicating a high level of consistency and reliability in our method. These findings suggest that our approach can be confidently applied to determine the appropriate size of hybrid energy systems accurately. Overall, our study provides valuable insights into the development of effective sizing methodologies for hybrid energy systems. After considering the amount of solar radiation and wind speed gathered by global weather data platforms like NASA and METEONORM, this paper has also included a real case study of the Cairo International Airport's hybrid renewable energy production systems. To guarantee the viability of this study, the system design was founded on an actual load that was researched and simulated. A cluster of distributed networks was finally proposed to use the excess energy and enable energy conversion processes to be used in industry and transportation applications.

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

Prereactive complexes in noncovalent organocatalysis are sensitive to the relative chirality of the binding partners and to hydrogen bond isomerism. Both effects are present when a transiently chiral alcohol docks on a chiral α-hydroxy ester, turning such 1:1 complexes into elementary, non-reactive model systems for chirality induction in the gas phase. With the help of linear infrared and Raman spectroscopy in supersonic jet expansions, conformational preferences are investigated for benzyl alcohol in combination with methyl lactate, also exploring p-chlorination of the alcohol and the achiral homolog methyl glycolate to identify potential London dispersion and chirality effects on the energy sequence. Three of the four combinations prefer barrierless complexation via the hydroxy group of the ester (association). In contrast, the lightest complex shows predominantly insertion into the intramolecular hydrogen bond, like the analogous lactate and glycolate complexes of methanol. The experimental findings are rationalized with computations and a uniform helicality induction in the alcohol by the lactate is predicted, independent on insertion into or association with the internal lactate hydrogen bond. p-Chlorination of benzyl alcohol has a stabilizing effect on association, because the insertion motif prevents a close contact between the chlorine and the hydroxy ester. After simple anharmonicity and substitution corrections, the B3LYP-D3 approach offers a fairly systematic description of the known spectroscopic data on alcohol complexes with α-hydroxy esters.

A super-porous hybrid platform can offer significantly increased number of reaction sites for the analytes and thus can offer advantages in the biosensor applications. In this work, a significantly improved sensitivity and selectivity of hydrogen peroxide (H2O2) cancer sensor is demonstrated by a super-porous hybrid CuO/Pt NP platform. The super-porous hybrid platform is fabricated by a physiochemical approach combining the physical vapor deposition of Pt NPs and electrochemical deposition of super-porous CuO structures by adopting a dynamic hydrogen bubble technique. Under an optimized condition, the hybrid CuO/Pt biosensor demonstrates a very high sensitivity of 2,205 µA/mM∙cm2 and a low limit of detection (LOD) of 140 nM with a wide range of H2O2 detection. This is meaningfully improved performance as compared to the CuO-based H2O2 sensors as well as to the previously reported metal oxide based H2O2 sensors. The hybrid CuO/Pt platform exhibits excellent selectivity against other interfering molecules such as glucose, fructose, dopamine, and ascorbic acid. Due to the synergetic effect of highly porous CuO structures and underlying Pt NPs, the CuO/Pt architecture offers extremely abundant active sites for the H2O2 reduction and electron transfer pathways.

Wasted Green tuff powder produced by cutting Towada stone is recycled as environmental cleaning material. The optimum temperature for green tuff powder calcination to reduce the hydroxyl radical produced in hydrogen peroxide decomposition with ultraviolet light (UV) and no light. The green tuff calcined at 800 °C shows the large decomposition rate of hydrogen peroxide with no UV light when measured by using ESR. With UV light, the optimum temperature for calcinating the green tuff powder in order to reduce hydroxyl radical is also 800 °C. Next, the powder calcined at 800 °C is used to produce the tile by compression and heating, and then the formaldehyde adsorption rate was measured. The green tuff powder calcined at 800 °C showed a high adsorption rate, similar to that of the activated carbon. The tiles formed at 40 MPa and heated st 1100 °C were the strongest and also adsorbed formaldehyde. The adsorbed formaldehyde on the green tuff tile and powder might have a possibility to decompose by photocatalytic.

Metal hydrides are one of the types of functional materials that allow safe and compact storage of a large amount of hydrogen, which is increasingly used today as an alternate fuel or energy source. The possibility of obtaining the initial energy necessary for the production of hydrogen by electrolysis process from renewable energy sources, such as solar panels and wind generators, makes hydrogen energetic quite attractive and rapidly developing industry sector. Solid form of hydrogen storage with the possibility of reversible sorption, gives opportunity for creation autonomous energy storage systems. La-Ni based alloys allow hydrogen storing at ambient temperatures and pressure not higher than 15 bar, which makes the application of these alloys quite practical, interesting and prospects for analysis and modifications on the ways of stored hydrogen capacity increasing, alloys price reducing and application for renewable energy storage.

The results shown in this paper extend our research group's previous work, which presents the theoretically achievable hydrogen engine-out NOx (H2-NOx) Pareto front of a hydrogen hybrid electric vehicle (H2-HEV). While the Pareto front is calculated offline, which requires significant computing power and time, this work presents an online-capable algorithm to tackle the energy management of a H2-HEV with explicit consideration of the H2-NOx trade-off. Through the inclusion of realistic predictive data on the upcoming driving mission, a model predictive control algorithm (MPC) is utilized to effectively tackle the conflicting goal of achieving low hydrogen consumption while simultaneously minimizing the NOx. In a case study it is shown that the MPC is able to satisfy user-defined NOx limits over the course of various driving missions. Moreover, a comparison to the optimal Pareto front highlights the MPC's ability to achieve close-to-optimal fuel-performance for any desired cumulated NOx target on four realistic routes for passenger cars.

By this contribution we would like to briefly highlight the problems in conceiving the “Hydrogen Bond” (HB) as a real short-range, directional, electrostatic, attractive interaction and to reframe its nature through the non-approximated view of condensed matter offered by a Quantum Electro-Dynamic (QED) perspective. We focus our attention on water, as the paramount case to show the effectiveness of this 40-years’ old theoretical background, which depicts water as a two-fluid system (where one of the two phases is coherent). The HB emerge to be the result of the electromagnetic field gradient in the coherent phase of water, whose vacuum level is lower than the non-coherent (gas-like) fraction. Thus, the HB can be properly looked at, i.e. no more as a “dipolar force” among molecules, but as the phenomenological effect of their collective thermodynamic tendency to occupy a lower ground-state, compatibly with temperature and pressure. This perspective allows to account for many “anomalous” behaviours of water and to understand why the calculated energy associated to HB should change when considering two molecules (water-dimer), or the liquid state, or the several kinds of ice. The emergence of a condensed, liquid, phase at room temperature is indeed the consequence of the boson condensation as described in the framework of spontaneous symmetry breakings (SSB). The switch from a still semi-classical Quantum Mechanical (QM) in the 1st quantization to a Quantum Field Theory (QFT) view embedded in the 2nd quantization is advocated for a more realistic and authentic description of water, condensed matter and living systems.

Radiation therapy is employed in treating various cancer types. However, depending on the type and stage of cancer, its benefits can be limited, and it may cause serious side effects that detrimentally affect the quality of life (QOL) for the patient. Preventing the side effects of radiation therapy can enhance the response to cancer treatment and improve the patient’s QOL. Independently, vitamin C and hydrogen have demonstrated potential in reducing the side effects of anticancer drugs and radiation therapy. Furthermore, both have been postulated to possess direct anticancer properties. However, the effects of their combined therapy remain underexplored. This study investigates the hypothesis that combining vitamin C and hydrogen efficiently prevents radiation-induced injuries. Survival rates were investigated in cancer cell lines (MDA-MB231 and GL261) and normal cells (HUVEC) treated with hydrogen, vitamin C and irradiation. Apoptosis was assessed using the FLICA test, and EMT gene expression was elucidated via the qPCR technique. In the normal cell line, the introduction of vitamin C and hydrogen to the culture medium boosted survival rates, exhibiting a radioprotective effect upon irradiation. In contrast, cancer cells showed a decreased survival rate with the introduction of vitamin C and hydrogen, which was further diminished with irradiation. Treated cancer cells showed signs of apoptosis. Caspase activity in viable cells was reduced by the combination treatment with vitamin C and hydrogen. Additionally, glioblastoma cells treated with this combination showed reduced EMT gene expression. This study reveals that a combined therapy of hydrogen and vitamin C offers radioprotective effects on normal cells and exerts direct anticancer effects on cancer cells, while also amplifying the anticancer effects of radiation. Importantly, this combined therapy attenuated the radiation-induced EMT signature in the GL261 murine glioma cell line, suggesting potential in diminishing treatment resistance and tumor invasion.

The rate constants of elementary processes in the atom-diatom system O(³P)+H₂(v), including the processes of vibrational relaxation and dissociation, were studied using the quasi-classical trajectory method. All calculations were carried out along the ground potential energy surface (PES) ³A′′ that was approximated by a neural network. Approximation data were obtained using ab initio quantum chemistry methods at the extended multi-configuration quasi-degenerate second-order perturbation theory XMCQDPT2 in a basis set limit. The calculated cross sections of the reaction channels are in good agreement with the literature data. A complete set of state-to-state rate constants was obtained for the metathesis reaction, the dissociation and VT relaxation of the H₂ molecule upon collision with an O atom. According to this data Arrhenius approximations over a wide temperature range were obtained for the thermal rate constants of considered processes. Data obtained on the dissociation constants and VT relaxation of vibrationally excited H₂ molecules can be used in constructing kinetic models describing the oxidation of hydrogen at high temperatures or highly nonequilibrium conditions.

Nowadays, the increasingly serious environmental pollution and energy problems urgently require internal combustion engine-based transportation vehicles to upgrade or replace, so the new energy transportation vehicles based on hybrid power and fuel cells have gradually stepped on the stage and continue to innovate. The shipping industry is one of the main sources of global greenhouse gas emissions. The development of clean energy ships represented by fuel cells has attracted wide attention. Fuel cell has the advantages of clean, pollution-free and low noise, but it has some disadvantages such as insufficient dynamic response performance and fast performance decay. Limited by the characteristics of a single energy source, a variety of energy sources and bidirectional DC converters are usually mixed together to form a hybrid ship to improve the flexibility, stability and economy of the ship, and enhance its adaptability to complex sea conditions through the reconfiguration of power system energy. Taking fuel cell ferry "FCS Alsterwasser" as the research object, this study proposed an improved equivalent minimum hydrogen consumption energy management strategy based on fuzzy logic control. First, the power system of the modified mother ship was simulated, and a hybrid power system including fuel cell, lithium iron phosphate battery and supercapacitor was proposed. Then, the dynamic system simulation model and double closed loop PI control model are established in MATLAB/Simulink, and the reliability of the model is verified by the simulation analysis of charge and discharge characteristics. Then, the feasibility of the proposed method is demonstrated by designing simulation experiments based on typical working conditions of the mother ship. The simulation results show that under the premise of meeting the load requirements, the control strategy designed in this paper has a better optimization effect than the S-type penalty function in terms of lithium battery power, lithium battery SOC, bus voltage stability and equivalent hydrogen consumption, which improves the stability and economy of the power system, and has certain engineering practical value.

Biomass exploitation is a global trend due to the circular economy and the environmentally friendly spirit. Numerous applications are now based on the use of biomass derived products. Hydrogen sulfide (H2S) is a highly toxic and environmentally hazardous gas, which emitted from various processes. Thus, the efficient removal of this toxic hazardous gas following cost effective processes is an essential requirement. In this study, we present the synthesis and characterization of biomass-derived activated-carbon/zinc-oxide (ZnO@AC) composites from different biomass sources as potential candidates for H2S sorption. The synthesis involved a facile method for activated carbon production via pyrolysis and chemical activation of biomass precursors (spent coffee, Aloe-Vera waste leaves, and corncob). Activated carbon production was followed by the incorporation of zinc oxide nanoparticles into the porous carbon matrix using a simple melt impregnation method. The synthesized ZnO@AC composites were characterized using X-ray diffraction (XRD), infrared spectroscopy (IR), thermogravimetric analysis (TGA), scanning electron microscopy (SEM) and nitrogen porosimetry. The H2S removal performance of the ZnO@AC composites was evaluated through sorption experiments using a handmade apparatus. Our findings demonstrate that the Aloe-Vera, Spent-coffee, and Corncob derived composites exhibit superior H2S sorption capacity up to 106 mgH2S/gads., 66 mgH2S/gads., and 47 mgH2S/gads. respectively.

Since a large amount of sewage sludge (WSS) has been generated daily, it is necessary to explore effective methods for utilizing WSS. Although a photo-fermentation system sometimes alters the characteristics of microbial functions, there are no attempts to perform the photo-fermentation using WSS which is regularly treated under a dark-fermentation style. In this study, the effect of photo-fermentation (photo-irradiation) on anaerobic digestion using WSS was revealed. Photo-irradiation during the anaerobic digestion of WSS significantly reduced the amount of organic acids and hydrogen sulfide and methane production was also suppressed. However, it was shown that the activity of sulfate-reducing bacteria in WSS under the light treatment increased. Photo-irradiation also stimulated the growth of green-sulfur bacteria and induced anoxygenic photosynthesis, by which the fermented samples turned green linking with the consumption of hydrogen sulfide. Finally, a dark/light switching fermentation was able to reduce only hydrogen sulfide while methane production remained the same.

Upper mesophilic temperature acclimation of halophilic, hydrogen-producing bacteria from salt fields was investigated in this study, along with the changes in microbial abundance during an-aerobic digestion (AD) process. Genomic approaches such as PCR-denaturing gradient gel elec-trophoresis (DGGE) and next-generation sequencing (NGS) were performed to profile the mi-crobial communities. During AD, there was a significant abundance of Halanaerobacter lacunarum at 48°C followed by the increase in hydrogen yield, signifying potential contribution from the halophile in the hydrogen production. A decrease in the dominance of H. lacunarum and Halan-aerobium fermentans at 42°C, likely due to an increase in other bacterial species, was noted but their dominance significantly increased at temperatures of 45°C and 48°C. This investigation provides valuable insights in highlighting the potential of Halanaerobium sp. and the other halo-philic bacteria to adapt under upper mesophilic temperature conditions and synthesizing hy-drogen. The findings in the present study also underscore the importance of optimizing temper-ature and pH conditions to maximize hydrogen yield during high-salt anaerobic digestion.

With the rapid increase in diabetes worldwide, the number of patients with diabetic kidney disease (DKD), a complication of diabetes mellitus, is also on the rise. DKD is a major cause of chronic kidney disease progressing to end-stage renal failure; however, current medical treatments for DKD do not achieve satisfactory outcomes. Molecular hydrogen (H2) is an antioxidant that selectively reduces hydroxyl radicals, a reactive oxygen species with a very potent oxidative capacity. H2 was recently shown to exert not only antioxidant, but also anti-inflammatory, cell lethality-regulating, and signal transduction-regulating effects, and is now being applied clinically. Many factors contribute to the onset and progression of DKD, with mitochondrial dysfunction, oxidative stress, and inflammation being strongly implicated. Recent preclinical and clinical trials reported that substances with antioxidant properties may slow the progression of DKD. Therefore, we conducted a literature review on animal models and human clinical trials in which H2 showed efficacy against various renal diseases. This literature review and our previous findings collectively suggest that H2 exerts therapeutic effects in patients with DKD by improving mitochondrial function. Future large-scale clinical studies are needed to confirm these findings.

Peroxiredoxins play central roles in the detoxification of reactive oxygen species and have been modelled across multiple organisms using a variety of kinetic methods. However, the peroxiredoxin dimer-to-decamer transition has been underappreciated in these studies despite the 100-fold difference in activity between these forms. This is due to the lack of available kinetics and theoretical framework for modelling this process. Using published isothermal titration calorimetry data, we obtained association and dissociation rate constants of 93.0 µM-4·s-1 and 102 s-1, respectively, for the dimer-decamer transition of human PRDX1. We developed an approach that greatly reduces the number of reactions and species needed to model the peroxiredoxin decamer oxidation cycle. Using these data, we simulated horse radish peroxidase competition and NADPH-oxidation linked assays and found that the dimer-decamer transition had an inhibition-like effect on peroxidase activity. Further, we incorporated this dimer-decamer topology and kinetics into a published and validated in vivo model of PRDX2 in the erythrocyte and found that it almost perfectly reconciled experimental and simulated responses of PRDX2 oxidation to hydrogen peroxide insult. By accounting for the dimer-decamer transition of peroxiredoxins, we were able to resolve several discrepancies between experimental data and available kinetic models.

Knowledge of the biological effects of molecular hydrogen (H2), hydrogen gas, is constantly expanding giving a reason for optimism for several healthcare practitioners regarding management of multiple diseases, including socially significant ones. However, mechanisms underlying the biological effects of H2 are still being actively argued. In this review, we focus on mast cells as a potential target for H2 at the level of a specific tissue microenvironment. H2 regulates processing of pro-inflammatory components of the mast cell secretome and their entry into the extracellular matrix; this can significantly affect the state of the integrated-buffer metabolic environment and the structure of the immune landscape of the local tissue microenvironment. The analysis performed highlights several potential mechanisms for developing the biological effects of H2 and offers great opportunities for translating the obtained findings into clinical practice.

To investigate the mass mortality of asari clams triggered by upwelling-driven hypoxia, we conducted biological and oceanographic observations of the Rokujo tidal flat in Mikawa Bay, central Japan. In addition, a simple laboratory experiment was conducted using sediments on a tidal flat containing macrobenthos to examine the possibility of hydrogen sulfide formation in tidal flats. The results of field observations showed that the number and biomass of asari clams decreased from September to October in the tidal flat when hypoxia was intermittent. In particular, hypoxia persisted for approximately one week from September 21, which was associated with the calm weather and stagnation of tidal currents owing to the neap tide. The hydrogen sulfide concentration in the water directly above the sediment exceeded 30 mg L-1 after 3 days of incubation. Our results suggest that the mass mortality of asari clams may be caused by the high concentration of hydrogen sulfide produced by sulfate reduction, which is attributed to the chain of biological die-off caused by the upwelling of hypoxic water mass accompanied by meteorological events, and calm conditions such as the neap tide period.

Phenol is added to acetophenone (methyl phenyl ketone) and to six of its halogenated derivatives in a supersonic jet expansion to determine the hydrogen bonding preference of the cold and isolated 1:1 complexes by linear infrared spectroscopy. Halogenation is found to have a pronounced effect on the docking site in this intermolecular ketone balance experiment. The spectra unambiguously decide between competing variants of phenyl group stacking due to their differences in hydrogen bond strength. Structures where the phenyl group interaction strongly distorts the hydrogen bond are more difficult to quantify in the experiment. For unsubstituted acetophenone, phenol clearly prefers the methyl side despite a predicted sub-kJ/mol advantage which is nearly independent of zero point vibrational energy, turning this complex into a challenging benchmark system for electronic structure methods which include long range dispersion interactions in some way.

Hydrogen sulfide and ammonia are always a concern in the livestock industries, especially when farmers try to clear their manure storage pits. Agitation of manure can cause dangerously high concentrations of harmful agents such as H₂S and NH₃ to be emitted into the air. Biochar has the ability to sorb these gases. We hypothesized that applying biochar on top of manure can create an effective barrier to protect farmers and animals from exposure to NH₃ and H₂S. In this study, two kinds of biochar were tested, highly alkaline, and porous (HAP, pH 9.2) biochar made from corn stover and red oak biochar (RO, pH 7.5). Two scenarios of (6 mm) 0.25” and (12 mm) 0.5” thick layers of biochar treatments were topically applied to the manure and tested on a pilot-scale setup, simulating a deep pit storage. Each setup experienced 3-min of agitation using a transfer pump, and measurements of the concentrations of NH₃ and H₂S were taken in real-time and measured until the concentration stabilized after the sharp increase in concentration due to agitation. The results were compared with the control in the following 3 situations: 1. The maximum (peak) flux 2. Total emission from the start of agitation until the concentration stabilized, and 3. The total emission during the 3 min of agitation. For NH₃, 0.5” HAP biochar treatment significantly (p<0.05) reduced maximum flux by 63.3%, overall total emission by 70%, and total emissions during the 3-min agitation by 85.2%; 0.25” HAP biochar treatment significantly (p<0.05) reduced maximum flux by 75.7%, overall, total emission by 74.5%, and total emissions during the 3-min agitation by 77.8%. 0.5” RO biochar treatment significantly reduced max by 8.8%, overall total emission by 52.9%, and total emission during 3-min agitation by 56.8%; 0.25” RO biochar treatment significantly reduced max by 61.3%, overall total emission by 86.1%, and total emission during 3-min agitation by 62.7%. For H₂S, 0.5” HAP biochar treatment reduced the max by 42.5% (p=0.125), overall total emission by 17.9% (p=0.290), and significantly reduced the total emission during 3-min agitation by 70.4%; 0.25” HAP treatment reduced max by 60.6% (p=0.058), and significantly reduced overall and 3-min agitation’s total emission by 64.4% and 66.6%, respectively. 0.5” RO biochar treatment reduce the max flux by 23.6% (p=0.145), and significantly reduced overall and 3-min total emission by 39.3% and 62.4%, respectively; 0.25” RO treatment significantly reduced the max flux by 63%, overall total emission by 84.7%, and total emission during 3-min agitation by 67.4%.

Covid-19 pandemic lockdown has slow down the world economic system. The pandemic has cleared the roads, close factories and grounded planes causing severe economic challenges. The damaging impact of the pandemic amid lockdown has been a blessing in guise for the environment because of significant drop in pollution level as transport and industrial sectors shutdown. Transport and industrial sectors are major contributors to environmental degradation through various emissions as a result of fossil fuel consumption. Energy consumed by transport and industrial sectors will have to shift to viable, readily available, economically and environmentally friendly with no carbon build up post Covid-19 pandemic. Hydrogen energy remains the best alternative option technologies containing green house gas emission and pollutions of several forms. Hydrogen holds the potential to provide a clean, reliable, renewable and economical source of energy for meeting the growing and unending global energy needs post pandemic. The present paper explores the economic feasibility and potential of hydrogen to serve as a competitive fuel option post pandemic. In this paper, the role of hydrogen as an energy carrier hydrogen economy structure, potential of hydrogen economy, hydrogen production methods, hydrogen application and the economic and environmental importance of hydrogen as a viable fuel option post covid-19 pandemic were discussed. There will be a surge in demand and investment for hydrogen economy post Covid-19.