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.

With the decline in fossil fuels, hydrogen-based alternatives provide a reliable and clean source for sustainable energy generation. In these endeavors, photochemical splitting for hydrogen production through tandem cells has been the source of much theoretical and experimental research in science. Much focus has been placed on interfacial band gap engineering as one of the most promising routes in the generation of hydrogen.This present work explores sputtering of n-silicon to form the active electrode in a n-Si | n-TiO₂ tandem cell and investigates the effect of variations in sputtering and post sputtering treatment parameters (rapid thermal annealing and long cycle annealing) for successful deposition of crystalline Silicon. The samples were successfully characterized via Raman Spectroscopy, X-ray Diffraction and Optical Transmission Spectroscopy to ascertain prevalent crystalline order and optical band gap, under different sputtering and post-sputtering conditions. Relevant conclusions were drawn to ascertain the best possible deposition parameters of n-Si for photocatalytic water splitting.

The limited information available on the structure of complexes involving transcription factors and cognate DNA response elements represents a major obstacle in the quest to understand their mechanism of action at the molecular level. We implemented a concerted structural proteomics approach, which combined hydrogen-deuterium exchange (HDX), quantitative protein-protein and protein-nucleic acid cross-linking (XL), and homology analysis, to model the structure of the complex between the full-length DNA binding domain (DBD) of FOXO4 and its DNA binding element (DBE). The results confirmed that FOXO4-DBD assumes the characteristic forkhead topology shared by these types of transcription factors, but its binding mode differs significantly from those of other members of the family. The results showed that the binding interaction stabilized regions that were rather flexible and disordered in the unbound form. Surprisingly, the conformational effects were not limited only to the interface between bound components but extended also to distal regions that may be essential to recruiting additional factors to the transcription machinery. In addition to providing valuable new insights into the binding mechanism, this project provided an excellent evaluation of the merits of structural proteomics approaches in the investigation of systems that arematerial not directly amenable to traditional high-resolution techniques.

The 2-oxoglutarate dehydrogenase complex (OGDHc) is a key enzyme in the TCA cycle and represents one of the major regulators of mitochondrial metabolism through NADH and reactive oxygen species levels. The OGDHc impacts cell metabolic and cell signaling pathways through the coupling of 2-oxoglutarate metabolism to gene transcription related to tumor cell proliferation and aging. DHTKD1 is a gene encoding 2-oxoadipate dehydrogenase (E1a), which functions in the L-lysine degradation pathway. The potentially damaging variants in DHTKD1 have been associated to the (neuro) pathogenesis of several diseases. Evidence was obtained for the formation of a hybrid complex between the OGDHc and E1a, suggesting a potential cross talk between the two metabolic pathways and raising fundamental questions about their assembly. Here we reviewed the recent findings and advances in understanding of protein-protein interactions in OGDHc and 2-oxoadipate dehydrogenase complex (OADHc), an understanding that will create a scaffold to help design approaches to mitigate the effects of diseases associated with dysfunction of the TCA cycle or lysine degradation. A combination of biochemical, biophysical and structural approaches such as chemical cross-linking MS and cryo-EM appears particularly promising to provide vital information for the assembly of 2-oxo acid dehydrogenase complexes, their function and regulation.

This research paper presents a new application of electroactive polyimide doped with gold nanoparticles (PI/AuNPs) as a chemiresistor sensor for detecting hydrogen sulfide gas. The synthesis of PI/AuNPs was done in a simple 3-step process of polymerization using the as prepared amine-capped aniline trimer (ACAT), followed by imidization, and doping. Spectral analyses via FTIR, LC-MS and ¹H-NMR confirmed the formation of amine-capped aniline trimer with a MW of 288 g mol^-1. Comparison of ACAT, BSAA, and PI FTIR spectra showed successful polymerization of the last, while XRD validated the incorporation of metal nanoparticles onto the polymer matrix showing characteristic diffraction peaks corresponding to gold. Furthermore, TEM, and FE-SEM revealed the presence of well-dispersed Au nanoparticles with an average diameter of about 60nm. The electroactive PI/AuNPs-based sensor showed a sensitivity of 0.29% ppm^-1 H₂S at a linear concentration range of 50 to 300 ppm H₂S (r = 0.9777). The theoretical limit of detection was found at 0.142 ppm or 142 ppb H₂S gas. The sensor provided a stable response reading at an average response time of 43±5 seconds, which was easily recovered after an average time of 99±5 seconds. The sensor response was highly repeatable and reversible with RSD values of 8.88%, and 8.60%, respectively. Compared with the performance of the conventional conducting polyaniline also doped with gold nanoparticles (PANI/AuNPs), the fabricated electroactive PI/AuNPs exhibited improved sensing performance making it a potential candidate in monitoring H₂S in the environment and for work-related safety.

In this paper we review dynamics and roughness of bonds in proteins on example of albumin, that is important from the physiological point of view. We have performed computer simulations of albumin chain. Statistics were collected by performing many simulations realizations for each experimental setting. We concentrate on hydrogen bonds, cation-π and π- π interactions and NP contacts. Histograms of hydrogen bonds length are positively skewed in contrary to histograms of interactions and HP contacts that are negatively skewed. Scaling exponents of power spectra of energies of bonds / interactions /contacts are in range -0.2 to -0.5 and significantly differ between various hydrogen bonds or interactions. Varying scaling of such spectra can be used to classify between distinct bonds or contacts. Concerning particular amino-acids, largest amount of HBO H20 bonds are between Glutamate (GLU) amino-acids and water particle, while large amount of HBO bonds are formed with Lysine (LYS). For HP contacts the mayor role plays Phenylalanine (PHE) and Leucine (LEU) amino-acids. From decay curves HBO H2O bonds decays in fastest rate, while HBO bonds and HP contacts at slowest rate. We present as well decay curves of bonds formed by particular amino-acids, that gives interesting results.

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.

In this paper, the columnar supramolecular aggregates of photosensitive star-shaped azobenzenes with benzene-1,3,5-tricarboxamide core and azobenzene arms are analysed theoretically applying a combination of computer simulation techniques. Without a light stimulus, the trans-stars build one-dimensional columns of stacked molecules during the first stage of the noncovalent association. These columnar aggregates represent the structural elements of more complex experimentally observed morphologies -- fibers, spheres, gels and others. Upon UV light exposure, the azobenzene arms isomerise from thermodynamically stable planar trans- to a metastable kinked cis-state influencing the aggregate morphology. Here, we determine the most favourable mutual orientations of the \textit{trans}-stars in the stack in terms of (i) the pi-pi distance between the cores lengthwise the aggregate, (ii) the star slipped displacements and (iii) the rotation promoting the helical twist and chirality of the aggregate by calculating the binding energy diagrams using density functional theory. The model predictions are further compared with available experimental data. The intermolecular forces responsible for the stability of the stacks made of trans-azobenzene stars in crystals are quantified using Hirshfeld surface analysis. Finally, to characterize the self-assembly mechanism of such stars in solution, we calculate the hydrogen bond lengths, the normalized dipole moment and the binding energies as the functions of the columnar length using molecular dynamics trajectories, and conclude about the cooperative nature of this process.

The compound, C27H23N3 (1), crystallizes in the triclinic system of the P-1 space group. The unit cell comprises a dimer of 1, in which the monomers are linked by two complementary hydrogen bonds between N1 and H1-C1 of another molecule. The dimers form chains along the a-axis through intermolecular interactions between the N2 acceptor atoms and C17 donors from molecules in the nearest neighbouring dimer. These interactions form extended sheets of the dimers of 1, along the ab plane. The quinolinylmeth-2-yl groups of 1 lie in almost orthogonal planes and their N1/2(q) donor atoms being away from the apical amino N3 atom.

Epilepsy is a heterogenous neurological disorder characterized by recurrent unprovoked seizures, mitochondrial stress, and neurodegeneration. Hydrogen sulfide (H2S), a gasotransmitter, promotes mitochondrial function and biogenesis, elicits neuromodulation and neuroprotection, and may acutely suppress seizures. A major gap in knowledge remains in understanding the role of mitochondrial dysfunction and progressive changes in H2S levels following acute seizures and during epileptogenesis. We thus sought to quantify changes in H2S and its methylated metabolite (MeSH) via LC-MS/MS subsequent to acute maximal electroshock and 6 Hz 44 mA seizures in mice, as well as in the corneal kindled mouse model of chronic seizures. Plasma H2S was acutely reduced after a maximal electroshock seizure. H2S or MeSH levels in whole brain homogenate and expression of related genes in corneal kindled mice were not altered. However, plasma H2S and MeSH levels were significantly lower during kindling, but not after established kindling. Morever, we demonstrated a time-dependent increase in expression of mitochondrial membrane integrity-related proteins, Opa1, Mfn2, Drp1, and Mff during kindling, which did not correlate with gene expression. Taken together, short-term reductions in plasma H2S could be a novel biomarker for seizures. Future studies should further define the role of H2S and mitochondrial stress in epilepsy.

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

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.

Integrated photovoltaic-fuel cell (IPVFC) systems, amongst other integrated energy generation methodologies are renewable and clean energy technologies that have received diverse research and development attentions over the last few decades due to their potential applications in a hydrogen economy. This article systematically updates the state-of-the-art of IPVFC systems and provides critical insights into the research and development gaps needed to be filled/addressed to advance these systems towards full commercialisation. The design methodologies, renewable energy-based microgrid and off-grid applications, energy management strategies, optimisations and the prospects as self-sustaining power source were covered. IPVFC systems could play an important role in the upcoming hydrogen economy since they depend on solar hydrogen which has almost zero emissions during operation. Highlighted herein are the progresses as well as the technical challenges requiring research efforts to solve to realise numerous potential applications of IPVFC systems such as in unmanned aerial vehicles, hybrid electric vehicles, agricultural applications, telecommunications, desalination, synthesis of ammonia, boats, buildings, and distributed microgrid applications.

In this work we explored how solvents can affect olefin oxidation reactions catalyzed by MCM-bpy-Mo catalysts and whether their control can be made with those players. The results of this study evidenced that polar and apolar aprotic solvents modulated the reactions in different ways. Experimental data showed that acetonitrile (aprotic polar) could hinder largely the reaction rate whereas toluene (aprotic apolar) did not. In both cases product selectivity at isoconversion was not affected. Further insights were obtained by means of neutron diffraction experiments, which confirmed the kinetic data allowing to propose a model based on substrate-solvent crosstalk by means of hydrogen bonding. In addition, the model was also validated in the ring-opening reaction (overoxidation) of styrene oxide towards benzaldehyde, which progressed when toluene was the solvent (reaching 31% styrene oxide conversion) but was strongly hindered when acetonitrile was used instead (reaching only 7% conversion), due to the establishment of H-bonds in the latter. Although this model was confirmed and validated for olefin oxidation reactions, it can be envisaged that it may also be applied to other catalytic reaction systems where reaction control is critical, while widening its use.

Cystathionine gamma-lyase (CSE) is an essential Hydrogen sulphide (H2S)-producing enzyme that regulates diverse processes related to cardiovascular function. It is crucial to understand how exogenous H2S regulates CSE expression in vascular endothelial cells during hypoxia. We examined the regulatory effect of 100 μM H2S on the transcription and expression of CSE in HUVECs during hypoxia by luciferase assay, Western blotting, and quantitative RT-qPCR. Exogenous H2S influenced the promoter activity of CSE in HUVECs during hypoxia. Compared with 0 μM H2S, 100 μM H2S decreased the mRNA expression of CSE in HUVECs. Compared with 0 μM H2S, 100 μM H2S decreased the protein expression of CSE in HUVECs after 2 h of hypoxia. These findings suggest that vascular endothelial cells can respond to changes in H2S concentration in the blood during hypoxia.

Clairton, Pennsylvania, is home to the largest coke works facility in the United States (US). On 24 December 2018, a large fire occurred at this facility and damaged pollution control equipment. Although repairs were not completed for several months, production continued at pre-fire capacity and daily emissions increased by 24 to 35 times, with multiple exceedances of monitored levels of outdoor air pollution (OAP). The aim of this study was to objectively evaluate the impact of this industrial incident and resultant OAP exceedances on asthma morbidity. We assessed pre-fire and post-fire rate ratios (RR) of outpatient and emergency department (ED) visits for asthma exacerbations among nearby adult residents. Pre-fire versus post-fire RRs increased for both visit types: RR = 1.82 (95% CI: 1.30, 2.53; p < 0.001) and 1.84 (95% CI: 1.05, 3.22; p = 0.032) for outpatient and ED visits, respectively. Additionally, total visit rates increased on days with OAP exceedances: RR = 2.47 (95% CI: 1.52, 4.01; p < 0.0001), 1.58 (95% CI: 1.00, 2.48; p = 0.048) and 1.79 (95% CI: 1.27, 2.54; p = 0.001) for PM_2.5, SO₂, and H₂S exceedance days, respectively. These results show a near doubling of acute visits for asthma exacerbations in nearby adult residents during this industrial incident and underscore the need for prompt remediation and public notification of OAP exceedances to prevent adverse health impacts.

Background: Mitigating climate change requires fundamentally redesigned energy systems where renewable energy sources replace fossil fuels such as natural gas by 2050. Just how exactly this renewable energy will be transported to end users and how supply and demand will be balanced are still subject to lively debate. In this context the gas sector underlines its capability to contribute and claims its role in the EU energy system beyond the age of the fossil fuel natural gas. But on which specific arguments is this claim based and which enabling factors need to be considered? Methods: We take a two-step approach: We begin with a theoretically guided review of studies from energy industry and academic sources to discuss pros and cons from a holistic energy system design point of view. We then enrich our review with the results of an empirical focus group process, which leads us to possible enabling factors for unlocking the contributions of the gas sector to a climate-neutral energy system exemplified for Austria. Results: Beyond the widely acknowledged potential of the gas infrastructure for balancing growing renewable electricity generation and demand, we find that renewable gas could be a means to transport renewable energy to end users, and that it could be done using existing infrastructure. This could reduce the costs for society, increase public acceptance and ultimately speed up the transition to a climate-neutral energy system. However, this hinges on a supportive regulatory framework for energy markets and usage and on optimized resource utilization across the society as enabling factors. Conclusion: Developing a climate-neutral EU energy system will mean investing large amounts of money and completely overhauling our current system. The entire energy supply chain across various energy vectors must be optimized. This will require a technology-neutral and holistic approach. The regulatory framework must provide investment conditions that respect these principles. If it does, renewable gases could make a valuable contribution to achieving climate goals in an efficient, timely and publicly acceptable manner.

Hydrogen gas is seeping from the sedimentary basin of São Franciso, Brazil. The seepages of H₂ are accompanied by helium whose isotopes reveal a strong crustal signature. Geophysical data indicates that this intra-cratonic basin is characterized by i) a relatively high geothermal gradient, ii) deep faults delineating a horst and graben structure and affecting the entire sedimentary sequence, iii) an archean to paleoproterozoïc basements enriched in radiogenic elements and displaying mafic and ultramafic units, and iv) a possible karstic reservoir located 400 m below the surface. The high geothermal gradient could be due to a thin lithosphere enriched in radiogenic elements, which can also contribute to a massive radiolysis process of water at depth, releasing an important amount of H₂. Alternatively, ultramafic rocks that may have generated H₂ during their serpentinization are also documented in the basement. The seismic profiles show that the faults seen at the surface are deeply rooted in the basement, and can drain deep fluids to shallow depths in a short time scale. The carbonate reservoirs within the Bambuí group which forms the main part of the sedimentary layers are crossed by the fault system and represent good candidates for temporary H₂ accumulation zones. The formation by chemical dissolution of sinkholes located at 400 m depth might explain the presence of sub-circular depressions seen at the surface. These sinkholes might control the migration of gas from temporary storage reservoirs in the upper layer of the Bambuí formation to the surface. The very high fluxes of H₂ escaping out of these structures which have been recently documented are, however, in disagreement with the newly developed H₂ production model in the Precambrian continental crust. They either question the validity of these models or the measurement methodology.

In this study the processes taking place on the surfaces of nanostructurized Cu/CuO and Cu/CuO/Pd electrodes at different potential, $E$, values in the solutions of 0.1 M KOH in H$_2$O and D$_2$O (heavy water) were probed by the surface enhanced Raman spectroscopy (SERS) and analysis of electrochemical reactions occurring under experimental conditions is presented. Bands of the SERS spectra of Cu/CuO/Pd electrode observed in the range of $E$ values from +0.3~V to 0 V~(SHE) at 1328 - 1569~cm$^{-1}$ are consistent with the existence of species which are adsorbed or weakly bound to the surface with the energy of interaction close to 15 - 21~kJ mol$^{-1}$. These bands can be attributed to the ad(ab)sorbed (H$_3$O$^+$)$\rm{_{ad}}$, (H$_2^+$)$\rm{_{ab}}$ and (H$_2^+$)$\rm{_{ad}}$ ions as intermediates in reversible HER/HOR processes taking place on Cu/CuO/Pd electrode. There was no isotopic effect observed; this is consistent with a dipole nature of electron-ion pair formation of adsorbed (H$_3$O$^+$)$\rm{_{ad}}$ and (H$_2^+$)$\rm{_{ad}}$ or (D$_3$O$^+$)$\rm{_{ad}}$ and (D$_2^+$)$\rm{_{ad}}$. In accordance with literature data SERS bands at 125-146~cm$^{-1}$ and $\sim 520-565$~cm$^{-1}$ were assigned to Cu(I) and Cu(II) oxygen species. These findings corroborate the mechanism of cascading reduction of water.

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.

Hydrogenated water has emerged as a novel approach in the field of health and wellness. It is be-lieved to have potent antioxidant properties that can neutralize harmful free radicals in the hu-man body. It has also been shown to be beneficial in mitigating oxidative stress-induced damage through its anti-inflammatory and anti-apoptotic pathways. We aim to conduct a systematic re-view to evaluate the potential benefits of hydrogenated water. The review protocol was uploaded on PROSPERO. After the initial search criteria, the articles were reviewed by two blinded inves-tigators, and a total of 25 articles were included in the systematic review. The potential benefits of hydrogenated water on various aspects of health, including exercise capacity, physical endurance, liver function, cardiovascular disease, mental health, COVID-19, oxidative stress, and anti-aging research, are a subject of growing interest and ongoing research. Although preliminary results in clinical trials and studies are encouraging, further research with larger sample sizes and rigor-ous methodologies is needed to substantiate these findings. Current research needs to fully ex-plain the mechanisms behind the potential benefits of hydrogenated water. Continued scientific exploration will provide valuable insights into the potential of hydrogenated water as an adjunc-tive therapeutic approach in the future.

Susceptibility of four blood orange cultivars (‘Moro’, ‘Tarocco’, ‘Sanguinello’ and ‘Sanguine’) to chilling injury (CI) was studied. Antioxidant enzymes, physiological and biochemical changes were measured monthly at 2 and 5 °C plus 2 days at 20 °C for shelf life. At 2 °C, CI symptoms were higher than at 5 °C, and ‘Moro’ and ‘Tarocco’ had significantly higher CI than ‘Sanguinello’ and ‘Sanguine’. ‘Moro’ and ‘Tarocco’ had the highest electrolyte leakage, malondialdehyde, H2O2 and polyphenol oxidase activity and lower phenylalanine ammonia-lyase compared with ‘Sanguinello’ and ‘Sanguine’. The scanning electron microscopy micrographs revealed that ‘Moro’ and ‘Taroco’ showed severe fractures in the flavedo due to CI. ‘Sanguinello’ and ‘Sanguine’ were more tolerant to CI due to an increase of catalase, ascorbate peroxidase and superoxide dismutase, which could prevent the loss of membrane integrity and alleviate CI symptoms. The order of susceptibility of cultivars to CI was ‘Moro’> ‘Tarocco’> ‘Sanguine’> ‘Sanguinello’.

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

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.

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.

Despite all efforts, the treatment of breast cancer (BC) cannot be considered to be a success story. The advances in surgery, chemotherapy and radiotherapy have not been sufficient. Indeed, the accumulated experience clearly indicates that new perspectives and non-main stream approaches are needed to better characterize the etiopathogenesis and treatment of this disease. This contibution deals with how the new pH-centric anticancer paradigm plays a fundamental role in reaching a more integral understanding of the etiology, etiopathogenesis and treatment of this multifactorial disease. For the first time the armamentarium available for the treatment of the different types and phases of BC is approached here from a Unitarian perspective based upon the hydrogen ion dynamics of cancer. The wide-ranged pH-related molecular, biochemical and metabolic model is able to embrace most the fields and subfields of breast cancer pathology. This single and integrated approach allows to advance a unidirectional program to treatment. Further efforts in this line are likely to first improve the therapeutics of each subtype of this tumor, then every phase of the disease and finally every individual patient.

Considerable attention has been given to the research field of bioorganometallic chemistry, which is a hybrid chemistry field between biology and organometallic chemistry. The introduction of biomolecules, which have hydrogen bonding sites and chiral centers, into organometallic compounds is considered to be a promising strategy to construct chirality-organized bioorganometallic conjugates. This feature paper sketches an outline of induction of helical chirality into bioorganometallic conjugates. Topics covered include control of the helical chirality of 1,n’-disubstituted ferrocene moieties in ferrocene-dipeptide conjugates and the chirality induction of the Au(I)–Au(I) axis in the dinuclear organogold(I)-uracil conjugates.

The study aimed to elucidate the optimum level of elemental sulfur, fresh cassava root (FCR), and urea and their effect on gas production, ruminal fermentation, thiocyanate concentration, and in vitro degradability. A 3×2×4 in a completely randomized design were conducted. Factor A was level of sulfur at 0%, 1%, and 2% of concentrate dry matter (DM), factor B was level of urea at 2% and 4% of concentrate DM, and factor C was level of the FCR at 0, 200, 300, and 400 mg of the total substrate. The study found that elemental sulfur, urea, and FCR had no interaction effect on the kinetics of gas, ruminal fermentation, hydrogen cyanide (HCN), and in vitro degradability. Elemental sulfur supplementation (P<0.05) significantly increased the gas produced from an insoluble fraction (b), in vitro DM degradability and either neutral detergent fiber or acid detergent fiber degradability, and propionate (C3) concentration while decreased the ruminal HCN concentration. Urea levels showed a (P<0.05) significant increase of the potential extent of gas production, ruminal NH3-N, and total volatile fatty acid (VFA). FCR supplementation (P<0.05) significantly increased the gas produced from an immediate soluble fraction (a), gas produced from insoluble fraction, gas production rate constant, total VFA, C3 concentration, and HCN while decreased ruminal pH, acetate, and butyrate concentration. It could be concluded that 2% elemental sulfur, 4% urea, and 300 mg FCR showed a greater effect on gas production, ruminal fermentation, and HCN reduction.

This work focuses on the support effect on the performances of Co-based catalysts for the acetic acid steam reforming. SBA-15, a well ordered hexagonal mesoporous silica structure, and CeO2 have been selected as the supports, with the impact of chromium addition also being investigated. Better acetic acid steam reforming performances have been recorded for CeO2 compared to SBA-15 supported catalysts and, in particular, the 7Co/CeO2 catalyst showed the highest values of acetic acid conversions with enhanced H2 yields below 480°C, in comparison to the other investigated catalytic formulations. In addition, more pronounced coke depositions and acetone concentrations have been obtained with CeO2 supported catalysts, due to the tendency of ceria to catalyse the ketonization reaction. Chromium addition to Co/SBA-15 catalysts led to an enhancement in the activity towards acetic acid steam reforming, while on CeO2 supported catalysts no improvement in the catalysts activity was observed; however, on both SBA-15 and CeO2 supported catalysts, Cr addition reduced the amount of coke deposited on the catalysts surface.

Modern development of high-intensity and high-resolution X-ray technology allows detailed studies of the multiphoton absorption and scattering of X-ray photons by deep and subvalent shells of molecular systems on a wide energy range. The interpretation of experimental data requires the improvement of computational methods for obtaining excited and ionized electron states of molecular systems with one or several vacancies. The specificity of solving these problems requires the use of molecular orbitals obtained in one-center representation. Slow convergence of one-center expansions is a significant disadvantage of this approach; it affects the accuracy of the calculation of spectroscopic quantities. We offer a method of including higher harmonics in one-center expansion of a molecular orbital with the use of wave functions of electrons of deep shells of a ligand (off-center atom of a molecule). The method allows one to take into account correctly electron density of a linear molecule near the ligand when describing vacancies created in a molecular core leading to radial relaxation of electron density. The analysis of the parameters of one-center expansion of the ligand functions depending on ligand’s charge is performed. The criteria for the inclusion of higher harmonics of one-center decomposition of the ligand functions in the molecular orbital are determined. The efficiency of the method is demonstrated by the example of diatomic molecules HF, LiF, and BF by estimating energy characteristics of their ground and ionized states.

Ferric oxide containing waterworks sludge can be used to reduce formation of hydrogen sulfide during anaerobic digestion. The ferric compound is reduced biochemically in the digester and forms insoluble pyrite in digester sludge. Often virgin ferric chloride is used to solve the hydrogen sulfide problem. Since 2013, Sydvatten AB has supplied a growing number of digestion plants in Sweden with ferric containing dewatered waterworks sludge from the drinking water treatment plant Ringsjöverket to limit the formation of hydrogen sulfide. At the waterworks, ferric chloride is added to enhance coagulation of organic matter from the source water. The sludge formed in this process is dewatered and landfilled, but also recycled in the biogas production in order to reduce the hydrogen sulfide concentration. In this study, the use of sludge, for hydrogen sulfide removal in digesters, was technically and economically evaluated from cases studies from 13 full-scale digesters in Sweden. Compared with use of fresh ferric chloride, the operational costs are reduced up to 50 % by using sludge. The quality of the sludge is high and its content on metals is low or very low, especially when compared with requirements from different certification standards on biosolid reuse applied in Sweden. An addition of waterworks sludge containing iron to a digester for removal of dissolved hydrogen sulfide is a technically and economic good alternative when producing biogas. It is also one step closer to a circular economy, when replacing use of virgin chemicals with the by-product waterworks sludge which saves energy, material and reduces the carbon foot-print of the waterworks.

The influence of distant London dispersion forces on the docking preference of alcohols of different size between the two lone electron pairs of the carbonyl group in pinacolone is explored by infrared spectroscopy of the OH stretching fundamental in supersonic jet expansions of 1:1 solvate complexes. Experimentally, no pronounced tendency of the alcohol to switch from the methyl to the bulkier tert-butyl side with increasing size is found. In all cases, methyl docking dominates by at least a factor of two, whereas DFT-optimized structures suggest a very close balance for the larger alcohols, once corrected by CCSD(T) relative electronic energies. Together with inconsistencies when switching from a C4 to a C5 alcohol, this points at deficiencies of the investigated B3LYP and in particular TPSS functionals even after dispersion correction, which cannot be blamed on zero point energy effects. The search for density functionals which describe the harmonic frequency shift, the structural change and the energy difference between the docking isomers of larger alcohols to unsymmetric ketones in a satisfactory way is open.

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

A brand-new approach to the understanding of breast cancer (BC) is urgently needed. In this contribution, the etiology, pathogenesis, and treatment of this disease is approached from the new pH-centric anticancer paradigm. Only this Unitarian perspective based upon that the hydrogen ion (H+) dynamics of cancer, allows understanding and integrating the many dualisms, confusions, and paradoxes of the disease. The new H+-related wide range model can embrace under a unique frame of mind the many aspects of the disease and at the same time therapeutically interfere with most, if not with all, the hallmarks of cancer known to date. The pH-related armamentarium available for the treatment of BC here reviewed may be beneficial for all types and stages of the disease. In this vein, we have attempted a mega synthesis of traditional and new knowledge in the different areas of breast cancer research and treatment based upon the wide range approach afforded by the hydrogen ion dynamics of cancer. The concerted utilization of a pH-related drugs nowadays available for the treatment of breast cancer is advanced.

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.

The tripeptide-glutathione (GSH, γ-L-glutamyl-L-cysteinyl-glycine) is one of the most important low molecular antioxidant in human body. Enhancing GSH and associated enzymes represents an aim in the search for cytoprotective strategies against cancer, neurologic degeneration, pulmonary and inflammatory conditions, as well as rheumatoid arthritis (RA).The objective of the study was to agree whether crenotherapy (drinking therapy) with sulfide/hydrogen sulfide (SHS) waters from “Zuzanna” spring located in the area of Busko-Zdrój in Poland leads to increasing of reduced glutathione (GSH) content in human blood. SHS water in distinct from mineral water is characterised by specific pharmacokinetic, invariable content and natural microbiological purity. SHS waters contain at least 1 g of total sulfur per kilogram of water and a treatment effect also depends on other bioelements. The method employing capillary electrophoresis with UV detector for the analysis of glutathione in human blood was developed. The group of 106 volunteers consisted of both women and men, in different age range. The therapy with SHS waters lasted 2 weeks. We recently demonstrated that the administration of hydrogen sulfide (H2S) in SHS waters increases GSH concentration in blood, and therefore crenotherapy could be used in therapeutics.

As a dominant mangrove species, Kandelia obovata is distributed in an intertidal marsh with an active H₂S release. Whether H₂S participates in the salt tolerance of mangrove plant is still ambiguous although increasing evidence have demonstrated that H₂S functions in plant responses to multiple abiotic stresses. In this study, as an H₂S donor, NaHS was used to investigate the regulatory mechanism of H₂S on salt tolerance of K. obovata seedlings using a combined physiological and proteomic analysis. The results showed that the reduction in photosynthesis (Pn) caused by 400 mM NaCl was recovered by the addition of NaHS (200 μM). Furthermore, the application of H₂S enhanced the quantum efficiency of PSII and the membrane lipid stability, implying that H₂S is beneficial to the survival of K. obovata seedlings under high salinity. We further identified 37 differentially expressed proteins by proteomic approaches under salinity and NaHS treatment. Among them, the proteins related to photosynthesis, primary metabolism, stress response and hormone biosynthesis were primarily enriched. The physiological and proteomic results highlighted that exogenous H₂S up-regulated photosynthesis and energy metabolism to help K. obovata to cope with high salinity. Specifically, H₂S increased photosynthetic electron transfer, chlorophyll biosynthesis and carbon fixation in K. obovata leaves under salt stress. Furthermore, the abundances of other proteins related to metabolic pathway, such as antioxidation (APX, CSD2, PDX1), protein synthesis (HSP, Cpn 20), nitrogen metabolism (GS2, GS1:1), glycolysis (PGK, TPI), AsA-GSH cycle were increased by H₂S under high salinity. These findings provide new insights into the roles of H₂S in the adaptations of mangrove plant K. obovata to high salinity environment.

In this study, we once again use a set of Fibonacci-like sequences to examine the symmetries within the genetic code. This time, our focus is on the physiological state of the amino acids, considering them as charged, in contrast to our previous work where they were seen as neutral. In a pH environment around 7.4, there are four charged amino acids. We utilize the properties of our sequences to accurately describe the symmetries in the genetic code table. These include Rumer’s symmetry, the third-base symmetry and the "ideal" symmetry, along with the "supersymmetry" classification schemes. We also explore the special chemical structure of the amino acid proline, presenting two perspectives—shCherbak’s view and the Downes-Richardson view, which perspectives are included in the description of the above-mentioned symmetries. Our investigation employs also elementary modular arithmetic to precisely describe the chemical structure of proline, connecting the two views seamlessly. Finally, our Fibonacci-like sequences prove instrumental in quickly establishing the multiplet structure of non-standard versions of the genetic code. We illustrate this with an example, showcasing the efficiency of our method in unraveling the complex relationships within the genetic code.

We explore the importance of curvature in carbonaceaous species transformation and stability, using laser-induced vaporisation to evaporate and ionise a source of curved polyaromatic hydrocarbons: carbon nanobelts. Collision impacts between species cause mass loss and the resultant ions are catalogued via mass-spectrometry. To interpret the mass spectra, we perform a series of “in-silico” simulated systematic hydrogen-loss studies using density functional theory (DFT) modelling, sequentially removing hydrogen atoms using thermodynamic stability as a selection for subsequent dehydrogenation. In an initial sequence of H2 removal, the rings are maintained through stable carbyne chain and pentagon-chain formation, giving rise to circular strained dehydrobenzoannulene species. The chains subsequently break, releasing CH and C2. While theoretical closed-cage routes are identified, they are not observed experimentally. The results can serve as a useful guide to high-energy impact conditions observed in some astrochemical environments.

The crystals, C11H4BrF5N2S, (I), 1-((4-bromothiophen-2-yl)methylene)-2-(perfluorophenyl)hydrazine and C12H6BrF5N2S, (II), 1-((4-bromo-5-methylthiophen-2-yl)methylene)-2-(perfluorophenyl)hydrazine are molecules with two rings and hydrazone part like a centre of the molecule. The compounds have been synthesized and characterized by elemental, spectroscopic (¹H-NMR) analysis. The crystal structures of the solid phase were determined by single crystal X-ray diffraction method. They crystallize in the monoclinic space group with Z = 4 and Z = 2 molecules per unit-cell. The compound (I) crystallizes as a racemate in the centrosymmetric space group and the compound (II) crystallizes as a non-racemate in the non-centrosymmetric space group. The “absolute configuration and conformation for bond values” were derived from the anomalous dispersion (ad) for (II). The crystal structures are revealed diverse non-covalent interactions such as intra- and interhydrogen bonding, π-ring···π-ring, C-H···π-ring and they were investigated. The expected stereochemistry of hydrazones atoms C7, N2 and N1 were confirmed for (I) and (II). The hole molecule of the (I), and (II) possesses “a boat conformation” like a 6-membered ring. The results of the single crystal studies are reproduced with the help of Hirshfeld surface study and Gaussian software.

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.

Metal halide perovskites (MHPs), in particular lead-based halide perovskites have earned a recognized fame in several fields for their outstanding optoelectronics properties including direct generation of free charge carriers, optimal ambipolar charge carrier transport properties, high absorption coefficient, point-defect tolerance, and compositional versatility. Nowadays, this class of materials represents a real and promising alternative of silica for the photovoltaic technologies. This worthy success led to a growing interest in the exploration of MHP materials in other hot research fields such as the solar-driven photocatalytic water splitting towards hydrogen production, CO2 reduction to CO and CH4, useful organic reactions such as organic synthesis (formation of C-C, C-N, and C-O bonds), and pollutants and dye degradation. Nevertheless, many of these perovskite materials showed air and moisture instability problems that considerably hinder their practical application for photocatalytic water splitting and photodegradation of CO2. Moreover, if the chemical instability is a problem that can be in part mitigated by the optimization of the lattice structure, the presence of lead represents a real problem for the practical application of these type of materials in commercial devices. To successfully overcome this problem, lead-free metal halide perovskites (LFMHPs) have gained increasing interest thanks to their promising optoelectronic properties, comparable to lead-based materials, and their eco-friendly nature. Among all the lead-free perovskite alternatives, this mini review will focus the attention on the bismuth-based perovskites and perovskite derivatives with specific focus on solar-driven photocatalysis application for H2 evolution.

Hydrogen has been considered a future energy carrier for decades and the demand for hydrogen in refineries is always upward due to the revival of new technologies. The steam methane reforming method is frequently employed because of its high hydrogen generation efficiency at a cheap cost and minimal negative impact on the environment. But depending on the type of feedstock, one unit of hydrogen generate 9-10 units of CO2 that is needed to be treated for environmental sustainability. Therefore, the optimization of hydrogen production and CO2 capture is very important to address. The simulation research was conducted to anticipate and optimize steam reforming using Aspen HYSYS. A conversion-type reactor was used to develop this simulation-based model. The primary goal of this work is to investigate and optimize the production efficiency of hydrogen and the mitigation of CO2 that is generated from the steam reforming process by varying process parameters. CO2 capture efficiency was investigated at the different yields for hydrogen production and was found that a maximum of 98.8% of the CO2 can be absorbed using the proposed carbon capture system. Later, the Aspen Energy Analyzer tool revealed potential improvements for energy and cost optimization.

For some decades, the scientific community has been looking for alternatives to the use of fossil fuels that allow the planet's sustainable and environmentally friendly development. To do this, attempts have been made to mimic some processes that occur in nature, among which the photosystem-II stands out, which allows water splitting operating with different steps to generate oxygen and hydrogen. This research presents promising results using synthetic catalysts, which try to simulate some natural processes, and which are based on Au@ZnO-graphene compounds. These catalysts were prepared by incorporating different amounts of gold nanoparticles (1 wt.%, 3 wt.%, 5 wt.%, 10 wt.%) and graphene (1 wt.%) on the surface of synthesized zinc oxide nanowires (ZnO NWs), and zinc oxide nanoparticles (ZnO NPs), along with a commercial form (commercial ZnO) for comparison purposes. The highest amount of hydrogen (1,127 µmol/hg) was reported by ZnO NWs with a gold and graphene loadings of 10 wt.% and 1 wt.%, respectively, under irradiation at 400 nm. Quantities of 759 µmol / hg and 709 µmol / hg were obtained with catalysts based on ZnO NPs and commercial ZnO, respectively. The photocatalytic activity of all composites increased with respect to the bare semiconductors, being 2.5 times higher in ZnO NWs, 8.8 times for ZnO NPs and 7.5 times for commercial ZnO. The high photocatalytic activity of the catalysts is attributed, mainly, to the synergism between the different amount of gold and graphene incorporated, and the surface area of the composites.

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.

This work communicates the connection of measured shadowgraphs from optically induced air breakdown with emission spectroscopy in selected gas mixtures. Laser-induced optical breakdown is generated using 850 mJ and 170 mJ, 6-ns pulses at a wavelength of 1064 nm, the shadowgraphs are recorded using time-delayed 5-ns pulses at a wavelength of 532 nm and a digital camera, and emission spectra are recorded for typically a dozen of discrete time-delays from optical breakdown by employing an intensified charge-coupled device. The symmetry of the breakdown event can be viewed as close-to spherical symmetry for time-delays of several 100 ns. Spectroscopic analysis explores well-above hypersonic expansion dynamics using primarily the diatomic molecule cyanide and atomic hydrogen emission spectroscopy. Analysis of the air breakdown and selected gas breakdown events permits the use of Abel inversion for inference of the expanding species distribution. Typically, species are prevalent at higher density near the hypersonically expanding shockwave, measured by tracing cyanide and a specific carbon atomic line. Overall, recorded air breakdown shadowgraphs are indicative of laser-plasma expansion in selected gas mixtures, and optical spectroscopy delivers analytical insight into plasma expansion phenomena.

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.

A progressive and chronic neurological condition called MSA (Multiple System Atrophy) is characterized clinically by varying degrees of dysautonomia, cerebellar ataxia, and parkinsonism. The concept of mitochondrial dysregulation in MSA is one perspective in handling this neurodegenerative disease. Damage to functional mitochondria is driven by the presence of ɑ-Synuclein-induced mitochondrial localization. The goal of MSA treatment up until now has been to reduce symptoms. One of the innovations in the treatment of MSA could be the novel idea based on mitochondrial reprogramming pathways. Mitochondrial reprogramming can be done in various ways in which the use of hydrogen, magnesium and low-dose hydrogen peroxide.

In the article, were checked influences of microaeration, pH, and VSS (Volatile Suspended Solid) for sour cab-bage anaerobic digestion. Results fermentation of sour cabbage under the condition of small oxygen addition are presented in this research can be classified as dark fermentation or hydrogenotrophic anaerobic digestion. The investigations were carried out for two concentrations 5 g VSS /L and 10 g VSS /L of sour cabbage at pH 6.0. The oxygen flow rates (OFR) for 5 g VSS /L were in the range of 0.53 to 3.3 mL/h for obtaining 2% to 8% of oxygen. In cases of low pH and microaeration, ethylene production was observed at a level below 0.05% in biogas. The highest volume of hydrogen for 5 g VSS/L was obtained for flow rate 0.58 O2 mL/h, giving hydrogen concentration in biogas in the range of 0 to 20%. For VSS 5 g/L and oxygen flow rate 0.58 mL/h; 0.021 L of hydrogen is produced per gram of VSS. In this case, VSS 10 g/L and oxygen flow rate 1.4 mL/h at pH 6.0, 0.03 L of hydrogen is generated per gram. Microaeration from 0.58 mL/h to 0.87 mL/h was propitious for hydrogen production at 5 g VSS/L of sour cabbage and 1.4 mL/h for 10 g/L. Another relevant factor is the volatile suspended solid factor of sour cabbage that caused optimal hydrogen production at VSS 89.32%.

Despite significant research efforts, the question of whether rising atmospheric CO₂ concentrations (C_a) affect leaf respiration remains unanswered. Here, I reanalyse published hydrogen isotope abundances in starch glucose of sunflower leaves. I report that, as C_a increases from 450 to 1500 ppm, respiration by the oxidative pentose phosphate pathway in chloroplasts increases from 0 to ≈ 5% relative to net carbon assimilation. This is consistent with known regulatory properties of the pathway. Summarising recent reports of metabolic fluxes in plant leaves, a picture emerges in which mitochondrial processes are distinctly less important for overall respiration than the oxidative pentose phosphate pathways in chloroplasts and the cytosol. Regulatory properties of these pathways are consistent with observations of lower-than-expected stimulations of photosynthesis in response to increasing C_a. Reported advances in understanding leaf respiratory mechanisms may enable modelling and prediction of respiration effects (inter alia) on biosphere-atmosphere CO₂ exchange and plant performance under climate change.

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.

Environmental impact associated with odor and gaseous emissions from animal manure is one of the challenges for communities, farmers, and regulatory agencies. Microbe-based manure additives treatments are marketed and used by farmers for mitigation of emissions. However, their performance is difficult to assess objectively. Thus, comprehensive, practical, and low-cost treatments are still in demand. We have been advancing such treatments based on physicochemical principles. The objective of this research was to test the effect of the surficial application of a thin layer (¼"; 6.3 mm) of biochar on the mitigation of gaseous emissions (as the percent reduction, % R) from swine manure. Two types of biochar were tested: highly alkaline and porous (HAP) biochar made from corn stover and red oak (RO), both with different pH and morphology. Three 30-day trials were conducted with a layer of HAP and RO (2.0 & 1.65 kg∙m^-2, respectively) applied on manure surface, and emissions of ammonia (NH₃), hydrogen sulfide (H₂S), greenhouse gases (GHG), and odorous volatile organic compounds (VOCs) were measured. The manure and biochar type and properties had an impact on the mitigation effect and its duration. RO significantly reduced NH₃ (19-39%) and p-cresol (66-78%). H₂S was mitigated (16~23%), but not significantly for all trials. Significant (66~78%) reductions for p-cresol were observed for all trials. The phenolic VOCs had relatively high % R in most trials but not significantly for all trials. HAP reduced NH₃ (4~21%) and H₂S (2~22%), but not significantly for all trials. Significant % R for p-cresol (91~97%) and skatole (74~95%) were observed for all trials. The % R for phenol and indole ranged from (60~99%) & (29~94%) but was not significant for all trials. The impact on GHGs, isobutyric acid, and the odor was mixed with some mitigation and generation effects. However, larger-scale experiments are needed to understand how biochar properties and the dose and frequency of application can be optimized to mitigate odor and gaseous emissions from swine manure. The lessons learned can also be applicable to surficial biochar treatment of gaseous emissions from other waste and area sources.

Energy demand has exponentially increased with the increase in the world population and ur-banization. Renewable energy is clean, renewable, and environmentally friendly. Hydrogen production through Proton Exchange Membrane (PEM) electrolyzer is an efficient way to produce renewable energy. The efficiency and energy consumption of the PEM electrolyzer depends on the feed water quality. In this report, we study the effect of pH, TDS, and conductivity on hydrogen production as well as energy consumption during the process. pH values (3, 7, 9), TDS values (300ppm, 600ppm, 900ppm), and conductivity values (30mS/cm, 70mS/cm, 100mS/cm) were studied to understand and optimize the hydrogen production using PEM electrolyzer. The in-vestigations showed that hydrogen production is significantly affected by pH, total dissolved solids, and conductivity, and the best levels of each variable were identified by extensive testing. The findings show both the scientific significance of proton exchange electrolysis in meeting the growing energy demands of society as well as the importance of knowing the influence that di-verse conditions have on the creation of hydrogen. Our research, in general, contributes to the expanding body of scientific knowledge on the topic of the effective production of hydrogen and offers useful insights for the continuation of investigation in this field.

The present paper deals with the investigation, at conceptual level, of the performance of short-medium-range aircraft with hydrogen propulsion. The attention is focused on the relationship between figures of merit related to transport capability, such as passenger capacity and flight range, and the parameters which drive the design of liquid hydrogen tanks and their integration with a given aircraft geometry. The reference aircraft chosen for such purpose is a box-wing short-medium-range airplane, object of study within a previous European research project called PARSIFAL, capable to cut the fuel consumption per passenger-kilometre up to 22%. By adopting a retrofitting approach, non-integral pressure vessels are sized to fit into the fuselage of the reference aircraft, under the assumption that the main aerodynamic, flight mechanic and structural characteristics are not affected. A parametric model is introduced to generate a wide variety of fuselage-tank cross-section layouts, from a single tank with the maximum diameter compatible with a catwalk corridor to multiple tanks located in the cargo deck , and an assessment work-flow is implemented to perform the structural sizing of the tanks and analyse their thermodynamic behaviour during the mission. This latter is simulated with a time-marching approach that couples the fuel request from engines with the thermodynamics of the hydrogen in the tanks, which is constantly subject to evaporation and, depending on the internal pressure, vent-ed-out in gas form. Each model is presented in detail in the paper and results are provided through sensitivity analyses to both the technology parameters of the tanks and the geometric parameters influencing their integration. The guidelines resulting from the analyses indicate that light materials, such as the Aluminium alloy AA2219 for tanks’ structure and polystyrene foam for the insulation, should be selected. Preferred values are also indicted for the aspect ratios of the vessel components, i.e. central tube and endcaps, as well as suggestions for the integration layout to be adopted depending on the desired trade-off between passenger capacity, as for the case of multiple tanks in the cargo deck, and achievable flight ranges, as for the single tank in the section.

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.

Semisolid casting can provide excellent castings, but the nature of the pore-forming mechanisms has not been properly clarified. In the current communication, it was suggested that hydrogen precipitated during slurry making might have a decisive role in the formation of both gas and shrinkage porosity. Intensive stirring at the end of the slurry making process may act as a degassing step. Without the intense stirring, structures of primary slurry particles form around the hydrogen pores, strongly affecting pore formation and feeding during the intensification stage.

Addressing global environmental problem, water splitting to produce hydrogen fuel by solar energy is getting so much attention. In the water splitting, the essential problem to solve is the development of efficient　catalysts for oxygen production. In this paper, having the prospect for a practical application of photocatalysts to artificial photosynthesis, molecular mechanisms in the current literature are briefly reviewed. At first, recent progress in the function of Mn cluster at the natural photosystem II is briefly described. The kinds of devices in which oxygen evolution reaction (OER) catalysts are used were designated; water electrolyzers, photoelectrodes, and photocatalysts. Some methods for analyzing molecular mechanism in OER catalysis, emphasized by FTIR method, are shown briefly. After describing common OER mechanisms, the molecular mechanisms are discussed for TiO2 and BiVO4 photoelectrodes with our novel data, followed by presenting of co-catalysts IrO2, RuO2, NiO2, and other metal oxides for OER catalysts. Recent reports describing OER catalysts of perovskites, layered double hydroxides (LDH), metal-organic frameworks (MOF), single atom catalysts, as well as metal complexes are reviewed. Finally, by comparing with natural photosystem, the requiring factors to improve the activity of the catalysts for artificial photosynthesis will be discussed.

Durability and performance of electrochemical energy converters such as fuel cells and electrolysers are not only dependent on the properties and the quality of the used materials. They strongly depend on operation conditions. Variations in external parameters, such as flow, pressure, temperature and, obviously, load can lead to significant local changes of current density, even local transients. The segmented cell technology was developed with the purpose to gain insight into local operation conditions in electrochemical cells, during operation. The operando measurement of the local current density and temperature distribution allows effective improvement of operation conditions, mitigation of potentially critical events and assessment of the performance of new materials. The segmented cell, which can replace a regular bipolar plate in the current state of the technology, can be used as monitoring tool and for targeted developments. This article gives an overview over the development and applications for proton exchange membrane fuel cell of this technology, such as water management or fault recognition. Recent advancements towards locally resolved monitoring of humidity and to current distributions in electrolysers are outlined.

An amorphous silicon carbide (SiC) membrane with H2 permeance of 1.2E-7 mol･m^-2･s^-1･Pa^-1 and excellent H₂/CO₂ selectivity of 2600 at 673 K was successfully synthesized on a Ni-gamma-alumina-coated alpha-alumina porous support by counter diffusion chemical vapor deposition (CDCVD) using silacycrobutane (SCB) at 788 K. The dominant permeation mechanism for He and H₂ in the temperature range 323-673 K was activated diffusion. The SiC active layer was formed in Ni-gamma-Al₂O₃ intermediate layer. The thermal expansion coefficients mismatch between SiC active layer and Ni-gamma-Al₂O₃-coated alpha-Al₂O₃ porous support was eased by the low decomposition temperature of SiC source and membrane structure.

Hydrogen plays a key role in the transition to a carbon-free economy. One of the areas of hydrogen use is the substitution of hydrocarbon fuel in gas turbine engines and power plants. This review article discusses the features of hydrogen combustion and their influence on the characteristics of combustion chambers in comparison with methane. The paper presents both the results of a study of pure hydrogen or methane and methane-hydrogen mixtures with different hydrogen content. Among the main features, it is worth noting a smaller ignition delay time and higher laminar flame speed with a shift in its maximum value to a rich mixture, which significantly affects on flashback inside burners premixer, especially at elevated air temperatures. Another feature is the increased temperature of the flame, which can lead to an increase in the rate of nitrogen oxides formation. However, wider combustion concentration ranges contribute to the stable combustion of hydrogen at temperatures lower than those of methane. Along with this, it was shown that even at the same adiabatic temperature, more nitrogen oxides are formed in a hydrogen flame than in a methane flame, which indicates an additional mechanism for NOx formation in addition to the Zeldovich mechanism. The article also summarizes some of the results of a study on the effect of hydrogen on the occurrence of thermoacoustic instability, which depends on the initial nature of pulsations during methane combustion. The presented data will be useful both to engineers who are engaged in solving the problems of designing hydrogen combustion devices, and to scientists in this field of study.

This work presents the first evidence that dissolved globular proteins change the arrangement of hydrogen bonds in water, with different proteins showing quantitatively different effects. Using ATR-FTIR (Attenuated Total Reflection – Fourier Transform Infrared) spectroscopic analysis of OH-stretch bands, we obtain quantitative estimates of the relative amounts of the previously reported four subpopulations of water structures coexisting in a variety of aqueous solutions. Where solvatochromic dyes can measure the properties of solutions of non-ionic polymers, the results correlate well with ATR-FTIR measurements. In protein solutions to which solvatochromic dye probes cannot be applied, NMR (Nuclear Magnetic Resonance) spectroscopy was used for the first time to estimate the hydrogen bond donor acidity of water. We found strong correlations between the solvent acidity and arrangement of hydrogen bonds in aqueous solutions for several globular proteins. Even quite similar proteins are found to change water properties in dramatically different ways.

Korea Atomic Energy Research Institute (KAERI) established a multi-dimensional hydrogen analysis system to evaluate a hydrogen release, distribution, and combustion in the containment of a nuclear power plant using MAAP, GASFLOW, and COM3D. KAERI developed the COM3D analysis methodology on the basis of the COM3D validation results against the experiments of ENACCEF and THAI. The proposed analysis methodology accurately predicts the peak overpressure with an error range of approximately ±10% using the Kawanabe turbulent flame speed model. KAERI performed a hydrogen flame acceleration analysis using the multi-dimensional hydrogen analysis system for a severe accident initiated by a station blackout (SBO) under the assumption of 100% metal-water reaction in the reactor pressure vessel for evaluating an overpressure buildup in the Advanced Power Reactor 1400 MWe (APR1400). The COM3D calculation results using the established analysis methodology showed that the calculated peak pressure in the containment was much lower than the fracture pressure of the APR1400 containment. This calculation result may have resulted from a large air volume of the containment, a reduced hydrogen concentration owing to passive auto-catalytic recombiners installed in the containment, and a lot of stem presence during the hydrogen flame acceleration in the containment. Therefore, we can know that the current design of the APR1400 containment maintains its integrity when the flame acceleration occurs during the severe accident initiated by the SBO accident.

Hydrogen-bond (H-bond) energies in 310-helices of short alanine peptides were systematically examined by precise DFT calculations with the negative fragmentation approach (NFA), a modified method based on the molecular tailoring approach. The contribution of each H-bond was evaluated in detail from the 310-helical conformation of total energies (whole helical model; WH3-10 model), and the results were compared with the property of H-bond in a-helix from our previous study. The H-bond energies of the WH3-10 model exhibited tendencies different from those exhibited by the -helix, in that they depended on the helical position of the relevant H-bond pair. H-bond pairs adjacent to the terminal H-bond pairs were observed to be strongly destabilized. The analysis of electronic structures indicated that structural characteristics cause the destabilization of the H-bond in 310-helices. We also found that the longer the helix length, the more stable the H-bond in the terminal pairs of the WH3-10 model, suggesting the action of H-bond cooperativity.

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

The photocatalytic biohydrogen generation using ZnO with the aid of simultaneous deposition of copper from an aqueous biomass-derivative glycerol solution was investigated. The effects of concentration of glycerol solution, Cu ion concentration and reaction temperature on biohydrogen generation were investigated. The photocatalytic biohydrogen production rate increased with increasing the concentration of aqueous glycerol solution, and the observed data could be fitted to the Langmuire-Hinshelwood kinetic models. The photocatalytic H2 production efficiency with ZnO could be significantly improved by simultaneous Cu deposition. The photocatalytic biohydrogen production rate was dependent on temperature, and increased with the increasing temperature. The possible mechanisms for oxidation of glycerol solution and photocatalytic hydrogen generation were proposed.

This paper explores the latest developments in electrolysis technology, a key player in the transition to sustainable energy systems. Electrolysis, despite currently contributing a small share to global hydrogen production, holds immense potential for producing green hydrogen. The study delves into the efficiency of electrolysis systems, emphasizing ongoing efforts to enhance energy conversion rates. It investigates the impact of high-temperature electrolysis on reducing electricity consumption, thus making the process more efficient. The paper discusses the various challenges in the research on water electrolysis and underscores the critical role electrolysis plays in integrating renewable energy sources. The study emphasizes the need for continuous advancements in electrolysis technology to bridge existing gaps, making a compelling case for its pivotal role in the green hydrogen revolution.

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.

Hydrogen is believed to be the principal domain of sustainable energy drive as an alternative to fossil fuels. Unlike the existing standards and knowledge for other fuels, the integrity of sealing and storage materials under the hydrogen environment is not comprehensively studied due to the comparatively new technology and lack of standard laboratory protocols. Typically, storage and polymer materials used as sealing experience degradation and damage in different ways over time in the exposure of hydrogen at different operating conditions, called aging. Improved understanding of the physical and chemical mechanism of degradation due to gaseous hydrogen atmosphere; helps to select and develop the materials best suited to carrier and sealing for respective applications. Damage to materials from aging is inevitable in high-pressure hydrogen gas exposure. This review discusses the mechanism of different categories of aging of storage and sealing materials under the hydrogen environment. Also, the article approaches discussing different laboratory test methods for each type of aging simulation. It covers the limitation of current research on determining material integrity through existing techniques of aging experiments and also explores the latest development. Important improvements are suggested in terms of materials development and testing procedures to meet the existing knowledge in the literature.

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.

Confronted by declining fossil fuels and the need to mitigate the effects of climate change, organic-based biomass is increasingly used to produce renewable energy, and this is receiving significant attention. Biohydrogen production by dark fermentation is a promising alternative to the conventional method since it is non-polluting and energy-saving. In this review paper, a bibliometric analysis was performed to understand the current status of biohydrogen production by dark fermentation. A total of 122 articles were analyzed from PubMed between 2013 and 2022 to understand the current trend in the dark fermentative production of hydrogen. The findings revealed that there had been increasing research in the domain of dark fermentation over the past decade, signifying an increased interest in biohydrogen production through dark fermentation. A significant increase in studies geared towards optimizing the processes, including pretreatment and designing of bioreactors and choosing the right types of biomass, was herein potentially identified. This study concludes that a new perspective on biohydrogen production is needed, particularly focusing on the optimization of the dark fermentative process

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.

The sustainable development goals(SDG) of the UNO would be difficult to achieve without prevention of metabolic diseases and other non-communicable diseases (NCDs). Western diet and lifestyle, which are major risk factors of NCDs, are known to cause oxidative stress and decrease in production of molecular hydrogen in the intestines which leads to a decline in endogenous antioxidant status in the body, leading to increase in systemic inflammation. Many experts consider molecular hydrogen as a potential nutrient, which may be administered as gas in the body. There are gaps in the knowledge about the role molecular hydrogen plays, in the treatment of metabolic diseases and other NCDs This review aims to discuss the role of hydrogen in the pathogenesis and prevention of NCDs. Molecular hydrogen (H2) has been studied extensively as a therapeutic gas, with an estimated 2000 publications to date, exploring its potential therapeutic use in 170 disease models across every organ in the mammalian body. Hydrogen therapy can be administered through several methods, such as H2 inhalation, dissolving H2 gas in water to make hydrogen-rich water (HRW) for oral consumption or topical application, or hydrogen-rich saline. The exact mechanism of action of molecular hydrogen is not known but it is in itself a potential antioxidant that can also inhibit hydroxyl and nitrosyl radicals in the cells and tissues. Hydrogen is known to cause a marked decline in oxidative stress, and inflammation that are crucial in the pathogenesis of NCDs. Hydrogen therapy has been found protective against NCDs, including, metabolic diseases, cardiovascular diseases (CVDs), neurodegenerative diseases, chronic kidney disease, cancer and chronic lung diseases.

In the transition towards sustainable energy sources, hydrogen has emerged as the predominant alternative after fossil fuels. This comprehensive literature review delves into the evolving landscape of hydrogen launching strategies within the energy market. Numerous countries have strategically initiated efforts to introduce products based on hydrogen, underscoring the global acknowledgment of the potential inherent in hydrogen. Despite witnessing significant growth in the adoption of hydrogen energy worldwide, impediments to its widespread commercialization persist. This review identifies key barriers, including cost structures, technical complexities, and marketing challenges, hindering the establishment of a robust hydrogen energy market. The article critically examines the actions already undertaken to harness hydrogen energy for commercial purposes, leveraging scientific insights and statistical data. By carefully examining the current state of hydrogen energy initiatives, the review highlights gaps in existing strategies that require thoughtful consideration. Insights derived from scientific and statistical analyses inform the identification of barriers and contribute to a nuanced understanding of the challenges faced in the journey towards hydrogen energy commercialization. Ultimately, the article presents a strategic proposal outlining marketing actions geared towards expediting the commercialization and widespread adoption of hydrogen energy. Grounded in a thorough review of existing literature and supported by scientific and statistical evidence, this comprehensive analysis offers valuable insights for stakeholders seeking to navigate the intricate landscape of hydrogen energy in the global energy market.

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.

Waste-to-Hydrogen (Wahh) is a process of converting waste into hydrogen gas through various methods such as thermal conversion, biological conversion, and chemical conversion. This process not only helps in managing waste but also provides a clean source of energy as hydrogen is a renewable energy source that produces zero greenhouse gas emissions during combustion. Wahh has the potential to provide a sustainable solution for energy generation and waste management in the current scenario of globally increasing energy demands. This study aims to examine the properties and energy efficiencies of various renewable fuels including fuelwood, biogas, biomethane, and biohydrogen with a specific focus on differentiating the characteristics of biohydrogen. The paper explores the emerging concepts of waste-to-hydrogen microgrids, biohydrogen refineries, biohydrogen prosumer networks, and a biohydrogen circular economy, as well as Public-Private-People Partnerships (4Ps) and the hydrogen-centric renewable energy revolution, which are taking shape in industrialized countries. The study presents a comprehensive feasibility analysis of these concepts in the context of Nepal. The results of this research will provide valuable insights into the potential for adopting these innovative technologies in Nepal and will contribute to the development of a sustainable and efficient energy system.

Heterojunctions based on metal halide perovskites (MHPs) are promising systems for photocatalytic hydrogen evolution reaction (HER). In this work, we coupled Cs3Bi2Br9 nanocrystals (NCs), obtained by wet ball milling synthesis, with g-C3N4 nanosheets (NSs) produced by thermal oxidation of bulk g-C3N4 in air. These methods are reproducible, inexpensive, and easy to scale up. Heterojunctions with different loadings of Cs3Bi2Br9 NCs were fully characterized and tested for HER. A relevant improvement of H2 production with respect to pristine carbon nitride was achieved at low NCs levels reaching values up to about 4600 µmol g-1 h-1. This work aims to provide insights on the synthesis of inexpensive and high performing heterojunctions using MHP for photocatalytic applications.

At 100% penetration, intermittent renewable energy causes outages. To flatten the leaping supply and demand curves of renewable energy, an energy storage medium and carrier are required. The Hydrogen energy stotrage system (HydESS), which combines a proton exchange membrane (PEM)-based water electrolysis (WE) system and a fuel cell (FC), has the quickest response time, the longest duration, and the greatest storage capacity. HOMER tools for techno-economic analysis are used to evaluate the HydESS hybrid system. Kyiv, Ukraine, is appealing due to its spatial-temporal wind speed, solar irradiance, and energy security. With an LCOE of $0.245 kWh−1 and 9.3% fuel cell power output, the most feasible solution is onshore wind turbine-coupled PEMFC HydESS. As a result 1,000-kW wind power, 250-kW PEMFC, 250-kW PEMWE, and 441-kW BESS are optimized to serve a 3,900 kWh day academic residence load. When compared to a diesel generator and a BESS, the hybrid HydESS reduces CO2 emissions by 4,132 tons over a 25-year period. The LCOE of a hybrid HydESS system is determined by the SOFC lifetime rather than the PEMFC's 2% difference between 40,000 and 50,000 h with the same rated power. This study recommends accelerating PEMFC development with fluctuation-endurable materials and design.

The purpose of this project was to demonstrate the potential of converting an existing internal combustion engine for hydrogen operation at relatively low cost and to optimize the combustion process for ultra-low NOx emissions. The conversion has been carried out on a 450cc naturally aspirated single cylinder engine. The first baseline measurements and setup have shown lower NOx emissions than the baseline gasoline engine (without catalytic converter) for similar power output and engine efficiency. Further optimization of the combustion process allowed to achieve Euro VI and (latest European Commission proposal) Euro VII heavy-duty NOx limits without exhaust gas aftertreatment system (EATS) in steady state conditions. The concept is very promising and the knowledge gained should allow for further optimization to achieve near zero NOx emissions at high engine efficiency and power output with supercharging. It should also allow an efficient conversion of other engine types for different applications. In particular, a project with the aim to convert a heavy duty 6 cylinder engine intended for public transport buses has started. It follows a feasibility study which has shown the competitiveness of the hydrogen engine for this application.

The objective of this study was to investigate the effects of ethyl nitroacetate, ethyl 2-nitropropionate and 3-nitropropionic acid on ruminal production of CH4, H2, volatile fatty acids (VFAs) and on dry matter digestibility of ground alfalfa under in vitro conditions. In vitro incubations were conducted as consecutive batch cultures. Total gas and amounts of methane produced by ruminal microbes were decreased by all nitrocompounds (P &lt; 0.05). Total production of VFAs was significantly reduced for all the nitrocompounds (P &lt; 0.05) except for NPA. DM disappearance was not affected (P &gt;0.05) by treatment.

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

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.

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.

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.

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

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

Offshore electricity production, mainly by wind turbines, and eventually floating PV in the future, will contribute to increase renewable energy production, as well as their dispatchability. The need for that energy evacuation and the implementation of the hydrogen economy are challenges that arise the evaluation of such energy facilities for the direct production of hydrogen. The analysis of the alternatives for the evacuation of offshore renewable electricity for the production of hydrogen is presented. The analysis includes discussion about the current state of the art of hydrogen pipelines and subsea cables, as well as the storage and bunkering system that is needed on shore. The main options for energy evacuation will be via an electric subsea cable to produce hydrogen onshore, or by pipeline, depending on the capacity of the offshore plant. For low capacity, an electric subsea cable is the best option. For high capacity renewable offshore plants, pipelines start to be competitive for distances above aprox. 450 miles.

Rapid increase in urbanization and industrialization due to increase in human population has led to increase in global warming resulting to climate change that affects the ecosystem. Unusual natural disasters such as cyclones, storms, floods, weather fluctuations, rising seal levels, transitional ecosystems and coastal disruptions are major adverse effects of climate change. There are huge worrisome concerns and uncertainties about the future of the planet earth due to climate change caused by high carbon emissions. Global aggressive policies in control of Carbon-dioxide (CO2) emissions from several combustion mechanisms have paved way for alternative/ clean energy sources. Green hydrogen is a promising means of clean energy sources for commercial power generation stations and other crucial systems such as hydrogen fuel cell vehicles (HFCVs) , motors, drives, backup power for buildings, and also serving as a source of electrical energy for remote locations. The goal of this study is to review the current level of Sub-Saharan African nations’ preparedness to adopt green hydrogen as a way to mitigate local energy supply issues and strengthen their individual economies.

The Paris Agreement aims to limit global warming, and one of the most pollutant sectors is heavy industry, where cement production is a significant contributor. This work briefly explores some alternatives: recycling, reducing clinker content, waste heat recovery, and carbon capture, discussing their advantages and drawbacks. Then, it examines the economic viability and benefits of increasing oxygen concentration in the primary burning air from 21% to 27%, which could improve clinker production by 7%, and the production of hydrogen through PEM electrolysis to make up 5% of the fuel thermal fraction, both on a cement plant producing 3000 tons of clinker per day. It is concluded that oxygen enrichment can provide substantial fuel savings for a relatively low cost despite a possible significant increase in NOx emissions. By opposition, hydrogen production at this scale does not appear economically viable.

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.

Green hydrogen is likely to play an important role in meeting the net zero targets of countries around the globe. Hence, producing green hydrogen cheaply and effectively is an important area of research. One potential option for green hydrogen production is to run electrolysers directly from offshore wind turbines, with no grid connection and hence no expensive cabling to shore. The removal of the grid presents an unusual integration challenge. The variable nature of wind turbines and farms results in a power output that can fluctuate more quickly than the electrolyser’s ability to respond without significantly stressing the electrolyser. Thus, the use of a battery, with the wind farm, becomes essential to even out some of the power variations that the electrolyser cannot deal with. In this work, a proof of concept of a wind farm control methodology designed to reduce variability in wind farm active power output is presented. Smoothing the power supplied by the wind farm to the battery reduces the size and number of battery charge cycles and helps to increase battery lifetime. Considering off-grid wind farms which exclusively power an electrolyser, this work quantifies the impact of the wind farm control method on battery lifetime for wind farms of 1, 4, 9 and 16 wind turbines. This is achieved using suitable wind farm, battery and electrolyser models. As an example, for the largest wind farm studied, consisting of 16 x 5 MW wind turbines, batteries with a lifetime of 15 years have approximately a 30 % reduction in required capacity (reduced from 14 MWh to 10 MWh) compared to operating without wind farm control. It is found that reducing the variability of the active power output of wind farms through the wind farm control methodology presented can have a significant impact on battery degradation and hence on battery lifetime. Hence, wind farm control can reduce the required battery capacity for a given lifetime or it can increase the lifetime of a given battery capacity. The work presented shows that wind farm control could play a critical role in reducing the levelised cost of green hydrogen produced from wind farms with no grid connection and paves the way for the design and testing of a full implementation of the wind farm control.

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

Methane (CH4), produced endogenously in animals and plants, has recently been suggested to play a role in cellular physiology, potentially influencing the signaling pathways and regulatory mechanisms involved in nitrosative and oxidative stress responses. In addition, it has been proposed that supplementation of CH4 to organisms may be beneficial for the treatment of several diseases, including ischemia, reperfusion injury, and inflammation. However, it is still unclear if and how CH4 is produced in mammalian cells without the help of microorganisms, and how CH4 might be involved in physiological processes in humans. In this study, we provide first proof of the principle that CH4 is formed non-microbially in the human body by applying isotopically labeled methylated sulfur compounds, such as dimethyl sulfoxide (DMSO) and methionine, as carbon precursors to confirm cellular CH4 formation. A volunteer applied isotopically labeled (2H and 13C) DMSO on the skin, orally, and to blood samples. Monitoring of stable isotope values of CH4 convincingly showed the conversion of the methyl groups, as isotopically labeled CH4 was formed during all experiments. Based on these results, we consider several hypotheses about endogenously formed CH4 in humans, including physiological aspects and stress responses involving reactive oxygen species (ROS). While further and broader validation studies are needed, the results may unambiguously serve as a proof of concept for the endoge-nous formation of CH4 in humans by a radical-driven process. Furthermore, these results might encourage follow up studies to decipher the potential physiological role of CH4 and its bioactiv-ity in humans in more detail. Of particular importance is the potential to monitor CH4 as an ox-idative stress biomarker if the observed large variability of CH4 in breath air is an indicator for physiological stress responses and immune reactions. Finally, the potential role of DMSO as a radical scavenger to counteract oxidative stress caused by ROS might be considered in the health sciences. DMSO has already been investigated for many years, but its potential positive role for medical use remained highly uncertain.

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

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.

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

The 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.

The aim of this article is to review hydrogen combustion applications within the energy transition framework. Hydrogen blends are also included, from the well known hydrogen enriched natural gas (HENG) to the hydrogen and ammonia blends whose chemical kinetics is still not clearly defined. Hydrogen and hydrogen blends combustion characteristics will be firstly summarized, in terms of standard properties like the laminar flame speed and the adiabatic flame temperature, but also evidencing the critical role of hydrogen preferential diffusion in burning rate enhancement and the drastic reduction in radiative emission with respect to natural gas flames. Then, combustion applications in both thermo-electric power generation (based on internal combustion engines, i.e., gas turbines and piston engines) and hard-to-abate industry (requiring high temperature kilns and furnaces) sectors will be considered, highlighting the main issues due to hydrogen addition related to safety, pollutant emissions, and potentially negative effects on industrial products (e.g., glass, cement and ceramic).

The H2-ICE project aims at developing, through numerical simulation, a new generation of hybrid powertrains featuring a hydrogen fueled Internal Combustion Engine (ICE) suitable for 12-meter urban buses, in order to provide a reliable and cost-effective solution for the abatement of both CO2 and criteria pollutant emissions. The full exploitation of the potential of such a traction system requires a substantial enhancement of the state of the art since several issues have to be addressed. In particular, the choice of the more suitable fuel injection system, as well as the control of the combustion process, are extremely challenging. Firstly, a high-fidelity 3D-CFD model will be exploited to analyze the in-cylinder H2 fuel injection through supersonic flows. Then, after the optimization of the injection and combustion process, a 1D model of the whole engine system will be built and calibrated allowing the identification of a “sweet spot”, in the ultra-lean combustion region, characterized by extremely low NOx emissions and, at the same time, high combustion efficiencies. Moreover, to further enhance the engine efficiency well above 40 %, different Waste Heat Recovery (WHR) systems will be carefully scrutinized, including both Organic Rankine Cycle (ORC)-based recovery units as well as electric turbo-compounding. A Selective Catalytic Reduction (SCR) aftertreatment system will be developed to further reduce NOx emissions to near-zero levels. Finally, a dedicated torque-based control strategy for the ICE coupled with the Energy Management Systems (EMS) of the hybrid powertrain, both optimized by exploiting Vehicle-To-Everything (V2X) connection, allow targeting an H2 consumption of 0.1 kg/km. Technologies developed in the H2-ICE project will enhance the know-how necessary to design and build engines and after-treatment systems for the efficient exploitation of H2 as a fuel, as well as for their integration into hybrid powertrains.

The integration of the increasing share of Renewable Energy Sources (RES) requires the availability of suitable energy storage systems to improve the grid flexibility, and Compressed Air Energy Storage (CAES) systems could be a promising option. In this study, a CO2-free Diabatic CAES system is proposed and analysed. The plant configuration is derived from a down-scaled version of the McIntosh diabatic CAES plant, where the natural gas is replaced with green hydrogen, produced on site by a Proton Exchange Membrane electrolyser powered by a Photovoltaic power plant. In this study, the components of the hydrogen production system are sized to maximize the Self-Consumption share of PV energy generation and the effect of the design parameters on the H2-CAES plant performance are analysed on a yearly basis. Moreover, a comparison between the use of natural gas and hydrogen in terms of energy consumption and CO2 emissions is discussed. The results show that the proposed hydrogen fuelled CAES can effectively match the generation profile and the yearly production of the natural gas fuelled plant by using all the PV energy production, while producing zero CO2 emissions.