Earth-abundant transition metals like iron, nickel, copper, molybdenum, and vanadium have been identified as essential constituents of the cellular gas metabolism in all kingdoms of life. Associated with biological macromolecules, gas-processing metalloenzymes (GPMs) are formed that catalyse a variety of redox reactions. This includes the reduction of O₂ to water by cytochrome c oxidase (‘complex IV’), the reduction of N₂ to NH₄ by nitrogenase, as well as the reduction of protons to H₂ (and oxidation of the later) by hydrogenase. GPMs perform at ambient temperature and pressure, in the presence of water, and often extremely low educt concentrations, thus serving as natural examples for efficient catalysis. Facilitating the design of biomimetic catalysts, biophysicist thrive to understand the reaction principles of GPMs making use of various techniques. In this perspective, I will introduce Fourier-transform infrared spectroscopy in attenuated total reflection configuration (ATR FTIR) for the analysis of GPMs like cytochrome c oxidase, nitrogenase, and hydrogenase. Infrared spectroscopy provides information about the geometry and redox state of the catalytic cofactors, the protonation state of amino acid residues, the hydrogen-bonding network, and protein structural changes. I developed an approach to probe and trigger the reaction of GPMs by gas exchange experiments, exploring the reactivity of these enzymes with their natural reactants. This allows recording sensitive ATR FTIR difference spectra with seconds time resolution. Finally yet importantly, infrared spectroscopy is an electronically non-invasive technique that allows investigating protein samples under biologically relevant conditions, i.e., at ambient temperature and pressure, and in the presence of water.

Cheese consumption provides humans with minerals, proteins, carbohydrates, and vitamins. In Mexico, several cheese varieties are produced, each with its texture, scent, and flavor. The artisanal cheeses made in the states of Tabasco and Chiapas —including, among others, the varieties named crema (cream), doble crema (double cream), oaxaca, panela, fresco, bola, poro, Cotija, and asadero— have a high demand in the domestic and foreign markets. The intensification of anthropic activity in these states causes an increased emission to the environment of contaminants like heavy metals, which could reach human foodstuffs through the food chains. In particular, heavy metal contents in cheeses consumed daily by these states' local population might represent a public health risk. Because of that, our objectives in this work were to determine the concentrations of lead, cadmium, nickel, copper, zinc, and iron in artisanal cheeses produced in the states of Tabasco and Chiapas, and to determine the values of the Hazard Quotient (HQ), Total Hazard Quotient (THQ), and Cancer Risk Total (CRT) for adult and young men and women. The results of our analyses of cheese samples from the states of Tabasco and Chiapas showed that the average concentrations (mg kg-1) of cadmium (0.0023±0.002, 0.0023±0.002 mg kg-1, respectively for each state), lead (0.0047±0.00, 0.0051±0.002), nickel (0.0039±0.0046, 0.0031±0.0039), copper (0.0199±0.021, 0.0202±0.022), zinc (0.1611±0.18, 0.194±0.21), and iron (61.84±4.23, 65.76±6.61 mg kg-1), the first three values lower than the limits established by the FAO/WHO and Codex Alimentarius. The value of THQ that we obtained was less than one, and that of CRT was within the limits established by the US-EPA, which means that the consumption of artisanal cheeses from Tabasco and Chiapas by humans does not imply a risk of disease or cancer.

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

Reactions in water between the Cu2(µ-EGTA) chelate (EGTA = ethylene-bis(oxyethyleneimino)tetraacetate(4-) ion) and 2,6-diaminopurine (Hdap) in molar ratios 1:1 and 1:2 yield only blue crystals of the ternary compound [Cu4(μ-EGTA)2(μ-H(N3)dap)2(H2O)2]·7H2O (1) that has been studied by single crystal X-ray diffractometry, various physical methods (thermal stability, spectral and magnetic properties), as well as DFT theoretical calculations. In the crystal, uncoordinated water is disordered. The tetranuclear complex molecule also has some irrelevant disorder in an EGTA-ethylene moiety. In the complex molecule, both bridging organic molecules act as binucleating ligands. There are two distorted five- (type 4+1) and two six- (type 4+1+1) Cu(II) centres. Each half EGTA acts as a tripodal tetradentate Cu(II) chelator, with mer-NO2+O(ether, distal) conformation. Hdap exhibits the tautomer H(N3)dap, with the dissociable H-atom on its less basic N-heterocyclic atom. These features favour the efficient cooperation between Cu-N7 or Cu-N9 bonds with appropriate O-EGTA atoms, as N6-H···O or N3-H···O interligand interactions respectively. Bridging role of both organics determines the tetranuclear dimensionality of the complex in 1. In this crystal, such molecules associate in zig-zag chains, built by alternating ,-interactions between the five- or six-atom rings of Hdap ligands of adjacent molecules. DFT theoretical calculations (using two different theoretical models and characterized by the quantum theory of “atoms in molecules”) reveal the importance of these ,-interactions between Hdap ligands, as well as that corresponding to the referred hydrogen bonds in the contributed tetranuclear molecule.

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

In the article we present the results concerning the impact of structural and chemical properties of zinc oxide in various morphological forms, on its gas-sensitive properties tested in an atmosphere containing a very aggressive gas such as chlorine. Two types of ZnO sensor layers obtained by two different technological methods were used. Their morphology, crystal structure, specific surface area, porosity, surface chemistry and structural defects were characterized, and then compared with gas-sensitive properties in a chlorine-containing atmosphere. To achieve this goal scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and photoluminescence spectroscopy (PL) methods were used. The sensing properties of obtained active layers were tested by temperature stimulated conductance method (TSC). We have noticed that their response in chlorine atmosphere is not determined by the size of the specific surface or porosity. The obtained results showed that the structural defects of ZnO crystals play the most important role in chlorine detection. We demonstrated that the Cl2 adsorption is a concurrent process to oxygen adsorption. Both of them occur on the same active species (oxygen vacancies). They concentration is higher on the side planes of the zinc oxide crystal than the others. Thanks to the conducted studies authors demonstrated that to develop a new gas sensor devices not only changing of active layer chemical composition but also controlling its crystal structure and morphology could be used.

Substances derived from herbals are much in demand in doping practices because of their interesting biological properties for physical exercise and sport. This review aimed to investigate anti-fatigue herbals, their properties, analysis methods and toxicity. Data indicate that phytomolecules have beneficial effects on the physiological and biochemical parameters of the body undergoing exercise. They reduce fatigue and promote recovery by improving antioxidant enzyme activities, immune responses, blood pressure, body composition and by reducing the accumulation of toxic metabolites and systemic inflammation. Thus, the use of herbal could provide relief to people who exert intense physical activities such as farmers and athletes; for this, these peoples must do careful, the use of doping herbal must be done in accordance with all the previsions which take into account the need for the use of herbal supplement, the doses. In addition, these benefits attributed to herbals should not conceal the drawbacks of using them in sport.Some phytomolecules are toxic when used in large quantities, and others, in this case alkaloids, should be avoided by athletes.

There is an increasing interest in applying environmentally-friendly materials in wood protection technology. This include the use of less toxic active ingredients, as well as better fixation. This study investigates the formulation based on the combination of copper and Saqez resin on the physical and biological resistance properties of poplar wood. Samples were treated by either copper-ethanolamine (Cu/MEA) and/or Saqez resin at various treatment levels. A vacuum pressure procedure was applied. The retention, weight percent gain, water absorption, volumetric swelling, and decay resistance of the samples were then determined. The highest retention and weight percent gain were obtained at the samples treated with the combination of copper-based system and Saqez resin. Additionally, the combination of the copper and Saqez improved the physical properties and decay-resistance against white-rot fungus Trametes versicolor.

For the eutectic molten PbBi alloy, we tested the additive properties of density, sound velocity, compressibility and dynamic viscosity of this alloy in the temperature range 600 – 1200 K. All these values can be represented as a mass-weighted sum of the corresponding values of pure lead and bismuth in the temperature range 600 – 1000 K within the limit of experimental errors. In the temperature range 800 – 900 K, we found that interatomic forces in the eutectic increase with temperature, which is caused by a decrease in the size of accumulations of atoms, clusters, of melt. A decrease in the size of clusters is accompanied by an increase in bonds between atoms within the clusters, which make them more stable.

Oligonucleotide conjugates with boron clusters have found applications in different fields of molecular biology, biotechnology, and biomedicine as potential agents for boron neutron capture therapy, siRNA components, and antisense agents. Particularly, closo-dodecaborate anion represents a high-boron containing residue with remarkable chemical stability and low toxicity, suitable for the engineering of different constructs for biomedicine and molecular biology. In the present work, we synthesized novel oligonucleotide conjugates of closo-dodecaborate attached to the 5'-, 3'-, or both terminal positions of DNA, RNA, 2'-O-Me RNA, and 2'-F-Py RNA oligomers. For their synthesis, we employed click reaction with the azido derivative of closo-dodecaborate. The key physicochemical characteristics of the conjugates have been investigated using high-performance liquid chromatography, gel electrophoresis, UV thermal melting, and circular dichroism spectroscopy. Incorporation of closo-dodecaborate residues at the 3'-end of all oligomers stabilized their complementary complexes, while analogous 5'-modification decreased duplex stability. Two boron clusters attached to the opposite ends of the oligomer only slightly influence the stability of complementary complexes of RNA oligonucleotide and its 2'-O-methyl and 2'-fluoro analogs. On the contrary, the same modification of DNA oligonucleotides significantly destabilized DNA/DNA duplex but gave a strong stabilization of the duplex with RNA target. According to CD spectroscopy results, two terminal closo-dodecaborate residues cause a prominent structural rearrangement of complementary complexes with a substantial shift from B-form to the A-form of the double helix. The revealed changes of key characteristics of oligonucleotides caused by incorporation of terminal boron clusters, such as the increase of hydrophobicity, change of duplex stability, and prominent structural changes for DNA conjugates, should be taken into account for the development of antisense oligonucleotides, siRNAs, or aptamers bearing boron clusters. These features may also be used for engineering of developing NA constructs with pre-defined properties.

Information about the variations and correlations between the physical properties of seeds is essential for designing and modeling seed processing operations. The aim of this study was to determine the variations in the basic physical properties of seeds of selected spruce species and to identify the correlations between these attributes for the needs of the seed sorting processes. Terminal velocity, thickness, width, length, mass and the angle of external friction were determined in the seeds of 11 spruce species. The measured parameters were used to calculate three aspect ratios, geometric mean diameter, sphericity index and specific mass of each seed. The average values of the basic physical properties of the analyzed seeds were determined in the following range: terminal velocity – 5.25 to 8.34 m s-1, thickness – 1.10 to 2.32 mm, width – 1.43 to 3.19 mm, length – 2.76 to 5.52 mm, the angle of external friction – 23.1 to 30.0°, and mass – 2.29 to 18.57 mg. The seeds of Jezo spruce and Meyer's spruce were most similar to the seeds of other spruce species, whereas oriental spruce seeds differed most considerably from the remaining seeds. Our findings indicate that spruce seeds should be sorted primarily with the use of mesh sieves with longitudinal openings to obtain fractions with similar seed mass and to promote even germination.

This review considers the generation of relatively simple biomolecules, e.g., primary amino acids, resulting from the rapid collapse of bubbles in aqueous solutions containing various, low molar mass, gases. Some of the possible primary reactions occurring to produce the biomolecules are introduced and discussed. A brief discussion is included on the possible involvement of hydrodynamic cavitation, at the primordial seashore, as the initiating processes for the formation of the first organic molecules on prebiotic earth and the origins of life on Earth some 4 billion years ago.

The surface chemistry and the morphology of SnO2 nanowires, deposited by Vapour Phase Deposition (VPD) method on Au-covered silicon substrate, were studied before and after subsequent air exposure. For this purpose, surface-sensitive methods including X-ray Photoelectron Spectroscopy (XPS), Thermal Desorption Spectroscopy (TDS) and the Scanning Electron Microscopy (SEM) were applied. The studies presented within this paper allowed to determine the surface non-stoichiometry combined with the presence of carbon contaminations, in a good correlation with the surface morphology. The relative concentrations of the main components [O]/[Sn]; [C]/[Sn]; [Au]/[Sn] together with the O – Sn; O – Si bondings were analyzed. The results of TDS remained in a good agreement with the observations from XPS. Moreover, conclusions obtained for SnO2 nanostructures deposited with the use of Au catalyst were compared to the previous obtained for Ag-assisted tin dioxide nanowires. The information obtained within this studies are of great importance for the potential application of SnO2 nanowires deposited on Au covered Si substrate in the field of novel chemical nanosensor devices, since the results can provide an interpretation of how aging effects influence gas sensor dynamic characteristics.

Фундук является одним из самых ценных орехов в мире благодаря своим уникальным органолептическим свойствам и питательным характеристикам. Данная работа была направлена ​​на анализ некоторых физико-химических свойств различных сортов фундука, выращиваемых в Закаталы (Азербайджан), а именно Ата-баба, Эльбари, Топкара, Фирован, Насими, Галиб, Мирзебейли, Тала, Даш финтик, Барли, Азери и Сачагли. В целом результаты показали статистически значимые различия между изучаемыми сортами. Плотность ядер в зависимости от сортов фундука варьировала от 0,71 г/см ³ (азери) до 1,03 г/см ^{3 .}(Сачакли). Очищенные плоды Дашфиндыг в среднем были тяжелее (1,64±0,34 г), а очищенные плоды Насими, Калиб, Мирзебейли и Сачакли в среднем легче (0,8±0,23 г, 0,8±0,31 г, 0,8±0,20 г и 0,80 г). ±0,09 г соответственно.В неочищенном виде самыми тяжелыми были орехи Дашфиндык (3,70±0,34 г), а самыми легкими из всех сортов были орехи Насими и Калиб (2,0±0,48 г и 2,0±0,36 г соответственно). - орехи баба составляют 49 масс./ядро, %, у остальных изученных сортов - 33,3-45,3 мас.%. Орехи насими имеют округлую форму (в экваториальной зоне); талы, ата-баба, фирован и азери - округло-продолговатые; топкара , Барли и Даш финдык – продолговатые; Эльбари, Калиб, Мирзебейли и Сачакли – удлиненные. Фирован, Тала и Топкара имеют более толстую скорлупу. Ата-баба значительно опережает другие сорта по выходу ядер (490 кг/1 т орехов) , На втором месте по этому показателю находится Тала (453 кг/1 тонна орехов), на третьем – Топкара (433 кг/1 тонна орехов). По максимальной жирности выделены сорта Мирзебейли (77,00±2,20 г/100 г ядер) и Фирован (75,0±3,08 г/100 ядер), по белку - Сачакли (16,02±0,50 г/100 ядер) и Ата-баба ( выделено 15,92±0,48 г/100 г ядер). Результаты этого исследования помогают лучше понять различия между некоторыми сортами фундука, выращиваемого в Азербайджане, что дает важную информацию для всех участников этого сектора. 50 ед/100 ядер) и Ата-баба (15,92±0,48 г/100 г ядер). Результаты этого исследования помогают лучше понять различия между некоторыми сортами фундука, выращиваемого в Азербайджане, что дает важную информацию для всех участников этого сектора. 50 ед/100 ядер) и Ата-баба (15,92±0,48 г/100 г ядер). Результаты этого исследования помогают лучше понять различия между некоторыми сортами фундука, выращиваемого в Азербайджане, что дает важную информацию для всех участников этого сектора.

Fostering fruitful collaboration between chemistry and physics scholars, the analysis of the differences in the practical approach to single atoms in chemistry and in physics affords a number of conceptual outcomes pointing to a more balanced relationship between chemistry and physics.

The effective treatment of human immunodeficiency virus (HIV), also known as acquired immunodeficiency syndrome (AIDS), has transformed a highly lethal disease into a chronic and manageable condition. However, better methods need to be developed for eliminating the virus from reservoirs, enhancing patient access and adherence to therapy, and improving treatment in the long term to reduce adverse effects. From the perspective of drug discovery, one promising strategy is the development of anti-HIV prodrugs. This approach aims to enhance the efficacy and safety of treatment, promoting the development of more appropriate and convenient systems for patients. In this review, we discussed the use of the prodrug approach for HIV antiviral agents and emphasized nucleoside reverse transcriptase inhibitors. We comprehensively described various strategies that are used to enhance factors such as water solubility, bioavailability, pharmacokinetic parameters, permeability across biological membranes, chemical stability, drug delivery to specific sites/organs, and tolerability. These strategies might help researchers conduct better studies in this field. We also reported successful examples from the primary therapeutic classes while discussing the advantages and limitations. In this review, we highlighted the key trends in the application of the prodrug approach for treating HIV/AIDS..

The representation of aerosols in climate-chemistry models is important for air quality and climate change research, but it can require significant computational resources. To overcome this, simpler modules such as modal aerosol modules with three lognormal modes (MAM3) can be used. In this study, the coupling of the Carbon Bond Mechanism, version Z (CBMZ), and MAM3 chemistry modules in WRF-CAM5 was improved by adding biomass-burning emissions to both gas- and particle-phase chemistry and incorporating a conversion mechanism between volatile organic compounds (VOCs) and secondary organic carbons (SOCs). The study conducted six simulations over the western U.S. and northeastern Pacific region and compared the model’s performance with observational benchmarks such as reanalysis, ground-based, and satellite data. The results showed that the model with enhanced chemistry capabilities had a 31% and 58% reduction in root-mean-square errors (RMSE) for black carbon (BC) and organic carbon (OC) surface concentrations, respectively. The earlier release of the WRF-CAM5 version had two deficiencies that were addressed in this study. This research highlights the importance of accurate aerosol representation in climate-chemistry models for improving accuracy and reducing errors in simulations.

Scientific studies on the impact of wood species on solid fuel production, performance, and sustainability are grossly inadequate. The knowledge of this is imperative as users of solid fuels are increasing rapidly, especially in Africa. On this note, it becomes necessary to explore measures that will improve its efficiency and sustainability as an energy source. This study investigates some properties of selected wood species used as an energy source in Nigeria and their pelleting potential. Nine (9) samples were characterized and assessed for suitability of pelleting following four wood pellet quality standards. The findings revealed Anogeissus leiocarpus as the species with the best rating score in terms of fuel properties while Vitellaria paradoxa as the lowest. However, in terms of conformity with the four wood pellets standards, Khaya senegalensis, Parkia biglobosa and Anogeissus leiocarpus having presented density, calorific value, sulfur, arsenic, cadmium, and lead within the limits of the wood pellet quality standards were considered the best wood species in terms of fuel suitability and pelleting potential. The findings therefore suggest that not all wood species are suitable as fuel. Thus, for species that do not meet the standard wood pellet requirements, alternatives such as the use of biomass blends, additives, or process adjustments can be employed to adapt the quality to the standards or by using the fuels in improved cookstoves.

This paper presents the light scattering matrices of atmospheric aggregated hexagonal ice particles appearing in cirrus clouds. In this work aggregates consist of the same particles with different spatial orientation and number of these particles. Two types of particle shape were studied: (1) hexagonal column; (2) hexagonal plate. For both shapes we study compact and non-compact cases of arrangement of particles in aggregates. As a result, four sets of aggregates were made: (1) compact columns; (2) non-compact columns; (3) compact plates; (4) non-compact plates. Each set consists of eight aggregates with different number of particles from 2 to 9. For practical reason the bullet-rosette and the aggregate of hexagonal columns with different sizes was also calculated. The light scattering matrices were calculated for the case of arbitrary spatial orientation within the geometrical optics approximation for sets of compact and non-compact aggregates and within the physical optics approximation for two additional aggregates. It was found that light scattering matrix elements for aggregates are depend on arrangement of particles they are consisted.

Multicomponent reactions (MCRs) have been used for more than a century; since their discovery in 1850 by Strecker. To date, MCRs route is regarded as a beneficial strategy due to its capacity to quickly produce molecular diversity and structural complexity of interest for a variety of applications. Despite having famous MRCs such as the Ugi, Passerini, Biginelli, and Hantzsch, this re-view portrays the importance of MCRs in the synthesis of desired products towards applications such as medicinal purposes, sustainable chemistry, and polymerisation. MCRs provide ad-vantages such as reducing the number of sequential multiple reactions to one step, atom economy, recyclable catalysts, mild conditions, preventing waste and reduce solvent use.

Due to metal leaching and poor catalyst stability, the chemical industry’s fine chemical and pharmaceutical sectors have been historically reluctant to use supported transition metal catalysts to manufacture fine chemicals and active pharmaceutical ingredients. With the advent of new generation supported metal catalysts and flow chemistry, we argue in this study, this situation is poised to quickly change. Alongside heterogenized metal nanoparticles, both single-site molecular and single-atom catalyst will become ubiquitous. This study offers a critical outlook taking into account both technical and economic aspects.

The study within the current research is focused on theoretical assessment of sustainable aviation fuels (SAF) obtained by blending traditional jet fuels Jet A and different liquids (biodiesel and alcohols) from analytical point of view. Within this paper in-depth analysis ofthe physical-chemical properties of Jet A fuel blended with different biodiesels and alcohols has been performed. Also within the blends Aeroshell 500 oil has been added (5% vol.) for ensuring the lubrication of the turbo engine. The blends consists of: Jet Aaviation fuel + biodieselfrom: palm oil, pork fat, sunflower oil and alcohols: methanol, ethanol and butanol. All the 6 liquids have been blended with Jet A in the following percentages: 10, 20 and 30%. Flash point, kinematic viscosity, density, freezing point, elemental analysis and FTIR analysis have been performed for all the liquids: Aeroshell 500, jet A, jet A + 10, 20, 30% biodiesel from waste palm oil, pork fat and waste sunflower oil, jet A + 10, 20, 30% methanol, ethanol and butanol, biodiesels and alcohols. The obtained results shows the influence of each of the blend’s components on the physical-chemical properties of the blends. Based on the physical-chemical analysis of the blends, conclusions on the behavior of the blends during burning and the gaseous pollutants resulting from the burning process can be drawn.

Background: The validation of measuring instruments in health is a requirement to be able to use them safely and reliably. The Short Physical Performance Battery (SPPB) tool is an instrument widely used in the clinic and validated in numerous countries and languages and for different populations. The objective of this research was to determine the psychometric properties of SPPB for a sample composed of institutionalized Spanish older adults. Methods: Multicenter study of the psychometric properties of the Short Physical Performance Battery tool with a convenience sample of 194 institutionalized older adults. Reliability (internal consistency), validity (construct validity and convergent validity) tests were performed. Results: The results show a very good internal consistency, construct validity and convergent validity. In addition, the factorial structure of the SPPB is provided, which reflects that it is a unidimensional scale. Conclusions: In conclusion, the Short Physical Performance Battery is a valid and reliable tool for use with institutionalized older adults. Its use is recommended as part of the Comprehensive Geriatric Assessment for the evaluation of the physical or functional sphere. Authors should include one of the following statements about the registration status of the manuscript here: This study was prospectively registered and approved by the Ethics Committee of the University of Burgos (IR 11/2018).

Polyphenol ellagic acid (EA) possesses anti-oxidant, anti-inflammatory, anti-carcinogenic, anti-diabetic and cardio protection activities, remarking it an interesting multi-targeting profile. EA also controls the central nervous system (CNS) since it was proven to reduce the immobility time of mice in both the forced swimming and the tail-suspension tests, with an efficiency comparable to that of classic antidepressants. Interestingly, the anti-depressant-like effect was almost nulled by the concomitant administration of selective antagonists of the noradrenergic receptors, suggesting the involvement of these cellular targets in the central effects elicited by EA and its derivatives. By in silico and in vitro studies, we discuss how EA engages with human α2A-ARs and α2C-AR catalytic pockets, comparing EA behaviour with those ones of known agonist and antagonist. Structurally, the hydrophobic residues surrounding α2A-AR pocket confer specificity on the intermolecular interactions and hence lead to favourable binding of EA in the α2A-AR, with respect to α2C-AR. Moreover, EA seems to better accommodate within α2A-ARs into TM5 area, closely to S200 and S204 which play a crucial role for activation of aminergic GPCRs such as the α2-AR, highlighting its promising role as a partial agonist. Consistently, EA mimics clonidine in inhibiting noradrenaline exocytosis from hippocampal nerve endings in an yohimbine-sensitive fashion that confirms the engagement of naïve α2-ARs in the EA-mediated effect.

The slate aggregate has long been perceived as a substandard, low quality waste material with its physical and chemical properties not being competitive with those of the primary aggregates. It is assumed that the slate aggregate particles are not strong, that is not durable and will not compact. This research aims to address those claims and review the available literature on the performance of the slate aggregate. The review inaugurates by analysing the physical, chemical and mechanical properties of slate, before expanding into a literature review of laboratory testing’s on the effect of moisture content on density, compaction and layer thickness of slate aggregate.The paper reviews case studies of construction projects in North Wales, where the slate aggregate has been used for general fill and road building for many years. Some of the case studies include the A55 coastal road and duelling of the A5 in Anglesey (WRAP, 2004), where slate aggregate was successfully used as sub-base. The paper also investigates why many civil engineers are reluctant to use the slate aggregate and regard the material as sub-standard, flaky aggregate. The research paper reviews the potential usages and various products the slate aggregate is suitable for and satisfies the requested standards. The final topic reviewed is the cost of transporting slate aggregate compared with the cost of transport for primary aggregate and the introduction of the Primary Aggregates Tax (Parliament of the United Kingdom, 2011). The last topic includes a critical analyses of the claims that the slate aggregate a commercially viable construction material despite its remote location (Woodward et al, 2004). The transportation cost and the supply chain complexities must be evaluated prior to considering the long-term sustainability of the product (Radanliev et al^1-6, 2014, 2015, 2016).

Chemical and mechanical properties of plasma-assisted nitrided (PAN), TiN cathodic arc coated, and PAN with TiN coated samples were thoroughly evaluated on tool steel samples of 1.2379. The evaluation involved SEM, nano-indentation, profilometer, micro scratch, and corrosion tests. The results revealed that PAN treatment alters the roughness of the surface, while it has minimal impact on the coefficient of friction. However, it increases the substrate's hardness, making it twice as hard and three times more resilient against scratch tests, along with improved corrosion resistance. TiN-coated samples are four times harder than untreated ones, but they exhibit a higher elastic modulus (E), leading to a lower H/E index. The most promising results were obtained with PAN+TiN treatment, combining high hardness (H) with lower E, resulting in a high H/E index, a crucial criterion for wear resistance. These samples also demonstrated superior scratch hardness and corrosion resistance, despite being thinner and rougher.

Removing one key barrier to the industrial uptake of green chemistry and nanocatalysis in the fine and specialty chemical industry requires to fill an ongoing “talent shortage” via expanded chemistry education. In this study we show how the use of hybrid sol-gel catalysts to synthesize fine chemicals and active pharmaceutical ingredients in flow chemistry reactors illustrates new ideas to reshape chemistry education based on recent research outcomes, visualization and digital tools. Several lessons learned from the industrial and academic utilization of these materials in continuous-flow conversions conclude the study.

Tree decline resulting from climate change results in physiological weaknesses, attack by harmful pests and pathogen, and threatens forest ecosystem stability. In the work described here, the effects of drought on wood density, tree ring width, and variations in vessel morphology were investigated in Persian oak (Quercus brantii) in the forests of the Zagros Mountains, Ilam province, western Iran. Radial discs were cut from trunks of declined and healthy trees and wood blocks cut radially from the sapwood, heartwood, and juvenile core. Observations were made on transverse sections from the blocks using microscopy. In trees with decline symptoms, wood density was greater than the healthy trees. Furthermore, declining trees had the narrowest ring width, reduced vessel diameter, vessel area, and highest number of vessels and tylose in pith towards bark. It was concluded that changes in anatomical features are associated with the weakening of the trees and are components in declining tree health.

Developing novel wound dressings containing medicinal plant extracts can have several potential benefits, including improving the therapeutic value of the dressings and reducing the cost of producing wound dressings. In this study, we prepared foam dressing containing Eclipta prostrata leaf extract and gelatin (Eclipta prostrata dressing). Chemical composition was verified using Fourier transform infrared spectroscopy (FTIR), and pore structure was obtained by scanning electron microscopy (SEM). The physical properties, including absorption and dehydration properties, were also evaluated. The chemical properties were measured to determine the pH environment after being submerged with Eclipta prostrata dressings. The results revealed that the Eclipta prostrata dressing had a pore structure with an appropriate pore size (313.25 ± 76.51 µm and 383.26 ± 64.45 µm for the Eclipta prostrata A and Eclipta prostrata B dressings, respectively). The Eclipta prostrata B dressing was more consistent porosity, resulting in a higher absorption capacity and faster dehydration rate. According to physical properties, the Eclipta prostrata B dressing is best used on low-exuding wounds. Furthermore, the Eclipta prostrata A and B dressings make a slightly acidic environment. Therefore, our foam dressing will not interfere wound healing process.

Mechanical robustness, biocompatibility, and antibacterial performances are key features for materials suitable to be used in tissue engineering applications. In this work, we investigated the link existing between structural and functional properties of TiCu(Ag) thin films deposited by physical vapor deposition magnetron sputtering on Si substrates. The thin films were characterized by X-ray diffraction (XRD), nanoindentation, atomic force microscopy (AFM), and X-ray photoelectron spectroscopy (XPS). The TiCu(Ag) thin films showed complete amorphous structure and improved mechanical properties in comparison with pure Ti films. However, for contents in excess of 20% Ag, we observed the appearance of nanometric Ag crystallite. The TiCu(Ag) thin films displayed excellent biocompatibility properties, allowing adhesion and proliferation of the human fibroblasts MRC-5 cell line. Moreover, all the investigated TiCu(Ag) alloy display bactericidal properties, preventing the growth of both Pseudomonas aeruginosa and Staphylococcus aureus. Results obtained from biological tests have been correlated to the surface structure and microstructure of films. The excellent biocompatibility and bactericidal properties of these multifunctional thin films opens to their use in tissue engineering applications.

A hand-held laser-induced breakdown spectroscopy device was used to acquire spectral emission data from laser-induced plasmas created on the surface of cerium-gallium alloy samples with Ga concentrations ranging from 0 to 3 weight percent. Ionic and neutral emission lines of the two constituent elements were then extracted and used to generate calibration curves relating the emission line intensity ratios to the gallium concentration of the alloy. The Ga I 287.4 nm emission line was determined to be superior for the purposes of Ga detection and concentration determination.A limit of detection below 0.25% was achieved using a multivariate regression model of the Ga I287.4 nm line ratio versus two separate Ce II emission lines. This LOD is considered a conservative estimation of technique’s capability given the type of the calibration samples available and low power( 5 mJ per 1 ns pulse) and resolving power (λ/∆λ= 4000) of this handheld device. Nonetheless, the utility of the technique is demonstrated via a detailed mapping analysis of the surface Ga distribution of a Ce-Ga sample which reveals significant heterogeneity resulting from the sample production process.

The physical and mechanical properties of rocks will change significantly after being subjected to high temperatures, which poses safety hazards to underground projects such as coal underground gasification. In order to investigate the effect of temperature on the macroscopic and microscopic properties of rocks, this paper has taken sandstone as the research object and conducted uniaxial compression tests on sandstone specimens at different temperatures (20-1000 ℃) and different heating rates (5-30 ℃/min) at 1200 ℃. At the same time, the acoustic emission (AE) test system was used to observe the acoustic emission characteristics of the rock damage process, and the microstructural changes after high temperature were analyzed with the help of a scanning electron microscope (SEM). The test results show that the effect of temperature on sandstone is mainly divided into three stages: Ⅰ (20-500 ℃) stage is the strengthening zone, the evaporation of water and the contraction of primary fissures, sandstone densification is enhanced. Specifically, the compressive strength and elastic modulus increase, the macroscopic damage mode is dominated by shear damage, and the fracture micro-morphology is mainly brittle fracture. Stage II (500-600°C) is the transition zone, 500°C is the threshold temperature for compressive strength and modulus of elasticity, and the damage mode changes from shear to cleavage damage, and the sandstone undergoes brittle-ductile transition in this temperature interval. Stage III is the physicochemical deterioration stage. The changes in physical and chemical properties make the sandstone compressive strength and modulus of elasticity continue to decline, the macroscopic damage mode is mainly dominated by cleavage damage, and the fracture microscopic morphology is more toughness fracture. The effect of different heating rates on the mechanical properties of sandstone was further studied, and it was found that the mechanical properties of the rock were more deteriorated under higher heating rates.

Activated carbons can be produced from biomass in a thermal process either in a direct carbonization-activation process or by first carbonizing the biomass and later on activating the biochars into activated carbons. The properties of the ACs are dependent on the type of process used for production. In this study, the properties of activated carbons produced in a one-stage and a two-stage process are considered. Activated carbons were produced by physical activation of two types of starting materials, bio chars produced from spruce and birch chips in a commercial carbonization plant and from the corresponding raw chips. The activated carbons produced were characterized regarding specific surfaces, pore volumes and pore size distributions. The un-activated bio chars had some degree of surface area 190 and 140 m²g^-1 for spruce and birch and pore volumes of 0.067 and 0.092 cm³g^-1. According to the results obtained, two slightly different types of activated carbons are produced depending if a one-stage or a two-stage carbonization and activation process is used. The ACs produced in the one-stage process had higher specific surface areas compared to the ones produced in a two-stage process (761-940 m²g^-1 vs. 540-650 m²g^-1) . In addition, total pore volumes were higher in one-stage process but development of micropores is greater compared to two-stage process. There was no significant difference in total carbon content between one-stage and two-stage process.

Human-Computer Interaction, including technology-aided instruction, is beginning to focus on virtual reality (VR) technology due to its ability to support immersive learning, teaching through simulation, and gamification of learning. These systems can deliver high-level multisensory learning experiences that are important in the teaching of many subjects, especially those involving abstract concepts or requiring spatial skills, such as organic chemistry. Haptic experiences with VR, however, remain a challenge. In addition, development have focused on general entertainment/gaming; VR systems in chemistry implement simulations of the chemistry laboratory and other advanced systems whereas those that support safe, game-like, immersive and multisensory learning of organic chemistry with haptics at pre-university education levels are scarce. We developed the VR Multisensory Classroom (VRMC) as an immersive learning environment within a VR head-mounted display, where learners employ hand movements to build hydrocarbon molecules and experience haptic feedback through gloves with built-in sensors and hand-tracking with the Leap Motion system. We report here the evaluation of the first prototype by learners from diverse backgrounds who reported on the ability of the VRMC to support high engagement, motivation, interest and organic chemistry learning as well as diverse learning styles. The VRMC is a novel VR classroom that supports immersive learning in molecular organic chemistry with haptics for multisensory learning.

In the last decades, cultivation of chia (Salvia hispanica L.) has expanded around the world and the seeds have become well known due to their rich composition in nutrients and bioactive compounds. The aim of this work was to evaluate the physical, chemical and nutritional profile of eight chia seeds grown in different Latin-American countries (Argentina, Bolivia, Chile, Ecuador, Mexico, Paraguay and Peru). The results showed that several nutritional parameters such as the protein content and amino acid profile, dietary fiber content, lipid content, mineral composition and phytate present in the seeds depend on the location they were grown in. Other parameters such as ash content, fatty acid profile or physical parameters were uniform across locations (except for color parameters). The results support the notion that nutritional characteristics of seeds are determined by the seed's origin, further analysis is needed to define the exact mechanisms that control the changes in the seeds nutritional properties.

Atmospheric turbulence, which produces chaotic motions in the planetary boundary layer, can inhibit mixing between fast-reacting species produced or released at different locations. This segregation process modifies the effective rate at which reactions occur between these species, and are not appropriately accounted for in coarse resolution models since these models assume complete mixing of tracers within each gridbox. Here we present a few examples of LES-based simulations applied to chemically reactive species in a forested area with high emissions of biogenic hydrocarbons, an urban area rich in anthropogenic emissions; and a maritime area with high emissions of reduced sulfur species.

A microwave assisted method for synthesis of 2-substituted benzimidazoles has been developed. The combination of molar ratio N-phenyl-o-phenylenediamine:benzaldehyde (1:1) using microwave irradiation and only 1% mol of Er(OTf)3 provide an efficient, environmental and mild access to a diversity of benzimidazoles under solvent-free conditions.

This review presents an updated overview of research concerning Leishmania protein structures, primarily sourced from the Protein Data Bank (PDB), that play a role in the metabolic pathways of the Leishmania parasite. Furthermore, we assess the current progress in the identification and development of bioactive chemical agents aimed at addressing this substantially overlooked tropical disease. We have analyzed experimental data obtained from in vitro, in vivo and in silico sources. This data has been categorized into four main areas: a) vector taxonomy and geographic distribution; b) parasite taxonomy and geographic distribution; c) enzymatic functions of proteins engaged in parasite/host interactions throughout various developmental stages (such as oxidoreductases, transferases, hydrolases, lyases, isomerases, ligases, and cytokines); and d) established and experimental treatments employing bioactive chemical compounds. Our objective is to establish a foundational point of reference for research efforts concentrating on the elucidation of interaction mechanisms and the processes of ligand-protein activation/inactivation, specifically linked to Leishmania infections. Consequently, we emphasize enzymes recognized for their involvement in the biochemical pathways incited during Leishmania infection episodes. This review encapsulates the current understanding, offering insights to inform and direct future explorations aimed at targeting proteins and pathways to enhance the management of Leishmania-related diseases.

A twin-screw extruder was used to fabricate poly(butylene succinate) (PBS)/high density polyethylene (HDPE) blends (7:3 weight ratio) and blend-based nanocomposites. Carbon nanotubes (CNTs), graphene nanoplatelets (GNPs) and organoclays (15A and 30B) served as the nanofiller, while maleated HDPE (PEgMA) acted as an efficient compatibilizer for the blend. In the composites, individual nanofillers were mostly localized in HDPE domains, but some fillers were also observed at PBS-HDPE interfaces. The sea-island morphology of compatibilized blend evolved into a pseudo-co-continuous morphology in the composites. Differential scanning calorimetry results confirmed that PEgMA with HDPE evidently accelerated the crystallization of PBS in the blend. The possible nucleation effect of added fillers on PBS crystallization was obscured by the formation of quasi-connected HDPE domains, causing less PBS nucleation sites. The presence of nanofillers improved the thermal stability and burning anti-dripping behavior of the parent blend. The anti-dripping efficiency of added fillers followed the sequence: CNT>15A>30B>GNP. Rigidity of the blend was increased after formation of nanocomposites. In particular, adding GNP resulted in 31% increase in flexural modulus. Development of a pseudo-network structure in the composites was confirmed by measurement of rheological properties. Electrical resistivity of the blend was reduced by more than 6 orders of magnitude at 3 phr CNT loading, demonstrating the achievement of double percolation morphology.

The research was conducted in the Kırklareli stream, which flows southwest through the city of the same name toward the village of Kavaklı. The aim of the study is to evaluate water analysis results and assess the potential that the European Union drinking water standard for lead can be achieved in the Kırklareli stream by reliance on the low solubility of lead phosphate minerals. The present study used Visual MINTEQ 3.1 for all water chemistry simulations. The European Union drinking water standard for lead, which is 10 μg L⁻¹, is exceeded at least once and as many as three times at seven of the ten sites during the 2018 sampling season. Although the database solubility of hydroxypyromorphite is exceeded in most samples, it appears this may be the result of major ion substitutions in the hydroxypromorphite that forms in the Kırklareli stream which increases the effective solubility of lead in the stream.

Different aspects in applying the nucleation theorem to the description of crystallization of liquids are analyzed. It is shown that, by employing the classical Gibbs' approach in the thermodynamic description of heterogeneous systems and assuming that the basic assumptions of classical nucleation theory commonly employed in application to crystallization hold, a general form of the nucleation theorem can be formulated valid not only for one-component but generally for multi-component systems. This result is taken then as the starting point for the derivation of particular forms of this theorem for the cases that the deviation from equilibrium is caused by variations of either composition of the liquid phase, temperature, or pressure. In this procedure, recently developed by us expressions for the curvature dependence of the surface tension, respectively, the dependence of the surface tension on pressure and/or temperature are employed. It is shown that the formulation of the nucleation theorem as proposed by Kashchiev [J. Chem. Phys. 76, 5098-5102 (1982)] holds also for multi-component systems as far as mentioned above assumptions are fulfilled. In the application of classical nucleation theory to crystallization processes it is assumed as one of its basic ingredients that the bulk properties of the critical clusters are widely identical to the properties of the newly evolving crystal phase. This assumption is, however, in general, it is not true. This limitation of the theoretical description can be overcome by the application of the generalized Gibbs approach for the specification of the dependence of the properties of critical crystal clusters on the degree of metastability of the liquid phase. Applying this method, it is demonstrated that a similar formulation of the nucleation theorem as derived based on classical nucleation theory holds true also in cases when a dependence of the state parameters of the critical clusters on the degree of deviation from equilibrium is appropriately accounted for.

Soil organic matter (SOM) is important for the global carbon cycle, and hyperspectral remote sensing has proven a promising method for fast SOM content estimation. However, soil physical properties significantly affect the sensitivity of satellite hyperspectral imaging to SOM, leading to poor generalization ability of the estimation model. This study aims to improve the spatiotemporal transferability of the SOM prediction model by alleviating the coupling effect of soil physical properties on the spectra. Based on satellite hyperspectral images and soil physical variables, including soil moisture (SM), soil surface roughness (root mean squared height, RMSH), and soil bulk weight (SBW), a soil spectral correction strategy was established based on the information unmixing method. Two important grain-producing areas in Northeast China were selected as study areas to verify the performance and transferability of the spectral correction model and SOM content prediction model. The results showed that soil spectral corrections based on fourth-order polynomials and the XG-Boost algorithm had excellent accuracy and generalization ability, with residual predictive deviations (RPD) exceeding 1.4 in almost all bands. In addition, when the soil spectral correction strategy was adopted, the accuracy of the SOM prediction model and the generalization ability after model migration were significantly improved. The SOM prediction accuracy based on the XG-Boost corrected spectrum was the highest, with a coefficient of determination (R2) of 0.76, root mean square error (RMSE) of 5.74 g/kg, and RPD of 1.68. The prediction accuracy, R2, RMSE, and RPD of the model after migration were 0.72, 6.71 g/kg, and 1.53, respectively. Compared with the direct migration prediction of the model, adopting the soil spectral correction strategy based on fourth-order polynomials and XG-Boost reduced the RMSE of the SOM prediction results by 57.90% and 60.27%, respectively. The performance comparison highlighted the advantages of considering soil physical properties in regional-scale SOM prediction.

Metastatic melanoma patients have a poor prognosis with poor responsiveness to chemotherapy. BRAF V600E mutations have been detected in ~40% of melanoma patients. Vemurafenib is an oral agent licensed for patients with BRAF V600E mutation-positive inoperable and metastatic melanoma, which already presents resistance that leads to patient relapse and the serious side effects. In our study, we synthesized 5 new vemurafenib analogs, RF-86A, RF-87A, RF-94A, RF-94B and RF-96B, with structural improve-ments, in order to increase the anti-proliferative and anti-metastatic effect on human melanoma. We showed that the analogs were efficient in inducing cell death and reducing the migration of A375 cells, by inhibition of MMP-2 and MMP-9 activity, indicating that this action may be longer lasting comparing to the action of Vemurafenib.

Chemistry is the last natural science discipline to embrace prepublishing, namely the publication of non-peer reviewed scientific articles on the internet. After a brief insight into the origins and the purpose of prepublishing in science, we conduct a concrete analysis of the concrete situation, aiming at providing an answer to several questions. Why the chemistry community has been late in embracing prepublishing? Is this in relation with the slow acceptance of open access publishing by the same community? Will prepublishing become a common habit also for chemistry scholars?

With proper processing and utilization, biofortified cassava may contribute to the nutritional status of the consumers, thus, the need for this study. High-quality cassava flour from white- (TME 419) and biofortified (TMS 01/1368) cassava varieties were produced at a commercial processing factory, after which the flour is composite with wheat flour to produce bread. The nutritional composition, physical properties and sensory quality of the composite bread were analyzed using standard methods. Results showed that composite bread from 20% biofortified cassava flour (20-YCF) had a higher value of total β-carotene (0.74 μg/g), moisture (37.83%) and ash (2.29%) contents. The fat (3.72%) and protein (12.83%) contents were higher in 20% white cassava flour (20-WCF) composite bread. The 20-YCF composite bread had the highest loaf volume (3286.2 cm3), elasticity (6.32), chewiness (40.51 N) and gumminess (6.41), 20-WCF composite bread had higher specific volume (3.59 cm3/g) and hardness (176.50 N). The 100% wheat bread had higher cohesiveness (0.10) and loaf weight (932.35 g). A significant negative correlation (r = - 0.98, p≤0.05) exist between bread hardness and protein content. The composite bread compared favourably with the 100% wheat bread in terms of weight and aroma, but, the 100% wheat bread was more acceptable.

Seyfe Lake is an important part of the natural ecosystem of Central Anatolia and lies within a 1487 km² closed basin. Groundwater withdrawal for irrigation and recent climatic change have caused lake area to decrease for decades and to completely disappear briefly in August 2008. Groundwater quality is crucial for sustainable irrigation in the Seyfe Basin. A key finding of this study is the difference in the Hardie-Eugster alkalinity-to-calcium ratio of the lake water and that of most groundwater wells in the basin. This difference in the chemical signature of Seyfe Lake and basin groundwater means the evaporative salinization pathway of most groundwater discharged into the lake cannot account for the composition of Seyfe Lake. The ratio of actual evapotranspiration to precipitation will increase under current climate change projections. A second finding, with implications for soil salinization, is that most groundwater in Seyfe Basin has a Hardie-Eugster alkalinity-tocalcium ratio greater than unity, meaning soil alkalization will accompany soil salinization.

Hybride halide perovskite materials gain enormous attention for their semiconducting properties, higher power conversion efficiency and potential applications in a wide range field of studies along with their two key limitations: stability and toxicity. In spite of great progress made on the halide perovskites and many promising research developments, overcoming these limitations is not realized yet. Therefore, coordination engineering of new framework for obtaining alternative new halide perovskite materials and fundamental understanding of the coordination chemistry and electronic interactions forming the structure of these newly engineered halide perovskite materials might be one way in order to overcome the issues related to both stability and toxicity. In this review, the current development of halide perovskite families, both lead halide perovskites and lead free halide perovskites followed by coordination engineering of the new frameworks to engineer new halide perovskite materials will be reviewed comprehensively. Moreover, all the concerns of the fundamental ideas of coordination chemistry and electronic interactions that are keys in forming the halide perovskite structures are discussed in detail and form the main aim of this review. Interestingly, we also discuss recent potential energy applications beyond photovoltaic and this review has completed with an essential and open question: ‘what could happen in the future of halide perovskites?’ in order to excite commercial enterprises and research institutions again as well as to get motivating new predictions on the future continuity of this field.

89Zr-radiolabelled proteins functionalised with desferrioxamine B are a cornerstone of diagnostic positron emission tomography. In the clinical setting, 89Zr-labelled proteins are produced manually. Here, we explore the potential of using a microfluidic photochemical flow reactor to prepare 89Zr-radiolabelled proteins. The light-induced functionalisation and 89Zr-radiolabelling of human serum albumin ([89Zr]ZrDFO-PEG3-Et-azepin-HSA) was achieved by flow photochemistry with a decay-corrected radiochemical yield (RCY) of 31.2±1.3% (n = 3) and radiochemical purity >90%. In comparison, a manual batch photoreactor synthesis produced the same radiotracer in a decay-corrected RCY of 59.6±3.6% (n = 3) with an equivalent RCP >90%. The results indicate that photoradiolabelling in flow is a feasible platform for the automated production of protein-based 89Zr-radiotracers, but further refinement of the apparatus, and optimisation of the method is required before the flow process is competitive with manual reactions.

A model of the early RNA world is proposed. Nearly self-complementary sequences that could adopt double-stranded, smallhairpin-like (shRNA), structures would be selected for due to their greater hydrolytic stability. These would be phosphorylated attheir 5' ends. We suppose that dehydrating conditions arise (perhaps intermittently) in the early environment allowing amino acidsto condense with these RNA molecules. The resulting phosphate-amino acid anhydrides would play the role of early, charged,tRNAs. A crude genetic code could emerge owing to the greater resistance of some amino acid-shRNA pairings to hydrolysisrelative to others. Early on there is no division of labor between mRNAs and tRNAs; the same molecules perform both functions.But the first systems would have encoded little in the way of protein sequence information. Rather they would have served as catalysts for the random polymerization of amino acids. It is speculated that the selective advantage inhering in such systems lay intheir ability to supply raw materials for the formation of coacervates within which the various molecules essential to proto-lifecould be concentrated. This would greatly facilitate the necessary chemistries. The evolution of homochiral protein and RNA populations is discussed. An appealing feature of this model is its ability to explain the transition from phosphorylated amino acids to the 3' ester-linked aminoacyl-tRNAs employed by modern life.

In the last 20 years, a huge amount of experimental results about halogen bonding (XB) has been produced. Most of the systems have been characterized by solid state X-ray crystallography, whereas in solution the only routine technique is the titration (by using ¹H and ¹⁹F NMR, IR, UV-Vis or Raman spectroscopies, depending on the nature of the system), with the aim of characterizing the strength of the XB interaction. Unfortunately, the titration techniques have many intrinsic limitations and they should be coupled with other, more sophisticated techniques to have an accurate and detailed description of the geometry and stoichiometry of the XB adduct in solution. In this review, it will be shown how crucial information about XB adducts can be obtained by advanced NMR techniques, as Nuclear Overhauser Effect-based Spectroscopies (NOESY, ROESY, HOESY…) and diffusion NMR techniques (PGSE or DOSY).

Nano-scale organofunctional silanes have been developed, tested and successfully applied to protect stone buildings in Europe against climatic effects since the 1860s. The same nanotechnologies can also be used in pavement engineering to create strong chemical bonds between a stabilising agent and the material substrata. The attachment of the organofunctional silane to a material also makes the surface of the material hydrophobic, reducing future chemical weathering. These properties allow naturally available materials to be used in any pavement layer at a low risk. In the built environment, scientists soon determined that the successful use of an organo-silane depends on the type and condition of the stone to be treated. The same principles apply to the implementation of applicable nanotechnologies in pavement engineering. Understanding the basic chemistry determining the properties of the stabilising agent and the organofunctional modifying agent and the chemical interaction with the primary and secondary minerals of the material are essential for the successful application of these technologies in pavement engineering. This paper explains some basic chemistry which fundamentally influences engineering outputs that can be achieved using New-age (Nano) Modified Emulsions (NME) stabilising agents with naturally available material in all road pavement TRANSLATE with x English ArabicHebrewPolish BulgarianHindiPortuguese CatalanHmong DawRomanian Chinese SimplifiedHungarianRussian Chinese TraditionalIndonesianSlovak CzechItalianSlovenian DanishJapaneseSpanish DutchKlingonSwedish EnglishKoreanThai EstonianLatvianTurkish FinnishLithuanianUkrainian FrenchMalayUrdu GermanMalteseVietnamese GreekNorwegianWelsh Haitian CreolePersian TRANSLATE with COPY THE URL BELOW Back EMBED THE SNIPPET BELOW IN YOUR SITE Enable collaborative features and customize widget: Bing Webmaster Portal Back TRANSLATE with x English ArabicHebrewPolish BulgarianHindiPortuguese CatalanHmong DawRomanian Chinese SimplifiedHungarianRussian Chinese TraditionalIndonesianSlovak CzechItalianSlovenian DanishJapaneseSpanish DutchKlingonSwedish EnglishKoreanThai EstonianLatvianTurkish FinnishLithuanianUkrainian FrenchMalayUrdu GermanMalteseVietnamese GreekNorwegianWelsh Haitian CreolePersian TRANSLATE with COPY THE URL BELOW Back EMBED THE SNIPPET BELOW IN YOUR SITE Enable collaborative features and customize widget: Bing Webmaster Portal Back TRANSLATE with x English ArabicHebrewPolish BulgarianHindiPortuguese CatalanHmong DawRomanian Chinese SimplifiedHungarianRussian Chinese TraditionalIndonesianSlovak CzechItalianSlovenian DanishJapaneseSpanish DutchKlingonSwedish EnglishKoreanThai EstonianLatvianTurkish FinnishLithuanianUkrainian FrenchMalayUrdu GermanMalteseVietnamese GreekNorwegianWelsh Haitian CreolePersian TRANSLATE with COPY THE URL BELOW Back EMBED THE SNIPPET BELOW IN YOUR SITE Enable collaborative features and customize widget: Bing Webmaster Portal Back

Outdoor exercise is beneficial for psychophysical well-being. Limited studies have compared outdoor and virtual reality (VR) indoor physical activities, especially in coastal settings. Therefore, this study aimed to assess the impact of outdoor coastal walking and indoor walking in a VR simulation with a similar environment on physiological and psychological variables in healthy adults. Twenty-six subjects (14M and 12F; age 25.2 ± 2.5 years) voluntarily participated in this crossover randomized controlled and counterbalanced study and were allocated under three conditions: VR indoor walking (INVR), outdoor walking (OUT) and standard indoor walking (IN). IN and INVR conditions were performed on a treadmill (speed 4.5 Km/h) and the OUT was per-formed on a seaside pedestrian road. The same outdoor environment was displayed in the visor during the INVR. Heart rate (HRmean/max), Physical Activity Enjoyment (PACES-It) and State of Mindfulness for Physical Activity (SMS-PA) were assessed at the end of each condition. The OUT condition showed significantly greater PACES-It scores and HRmean than IN and INVR (p<0.001) and greater SMS-PA scores and HRmax than IN (p<0.01 and p<0.05, respectively). No significant dif-ferences were found between OUT and INVR regarding HRmax and SMS-PA scores (p>0.05). Findings suggest that physical activity in an immersive technology may lead to physiological loads comparable to the outdoor environment. OUT is more enjoyable than IN and INVR but exhibits a mindfulness response comparable to INVR. Therefore, INVR could be an alternative to OUT for those who cannot engage in outdoor activities for various reasons.

Cardiorespiratory fitness (CRF) is essential for sustained work ability in good health, but declines with aging as does the functionality of the immune system, the latter process commonly referred to as immunosenescence. This study aimed to compare the capacity of immunosenescence biomarkers with chronological age for predicting low CRF in a cross-sectional sample recruited from the regional working population. CRF was determined by submaximal bicycle ergometer testing in a cross-sectional sample of 597 volunteers aged 20–70 years from the ’Dortmund Vital Study’ (DVS, ClinicalTrials.gov Identifier: NCT05155397). Low CRF was scored, if the ergometer test was not completed due to medical reasons or if the power output projected to a heart rate of 130 bpm divided by body mass was below sex-specific reference values of 1.25 W/kg for females and 1.5 W/kg for males, respectively. In addition to established biomarkers of immunosenescence, we calibrated a comprehensive metric of immune age to our data and compared its predictive capacity for low CRF to chronological age while adjusting our analysis for the influence of sex, obesity, and level of regular physical activity by applying univariate and multiple logistic regression. While obesity, low physical activity, chronological and immune age were all associated with increased probability for low CRF in univariate analyses, multiple logistic regression revealed that obesity and physical activity together with immune age, but not chronological age, were statistically significant predictors of low CRF outcome. Sex was non-significant due to the applied sex-specific reference values. These results demonstrate that biological age assessed by our immunological metric can outperform chronological age as a predictor for CRF and indicate a potential role for immunosenescence in explaining the inter-individual variability of the age-related decline in cardiorespiratory fitness.

The Sustainable Development Goals (SDGs) is a global strategy that aims to obtain a more equitable and just world. These objectives are organized in 17 SDGs, which are detailed in 169 targets. Different international institutions have emphasized education's relevance to developing citizens who contribute to the SDGs' achievement for 2030. However, a review focused on Physical Education exclusively has not been performed yet. Therefore, the objective of this work is double. First, to analyze and select the specific goals of the SDGs that can be implemented in the subject of Physical Education. And second, to relate these specific goals to the different models based on Physical Education practices. This review showed how three institutional documents have previously related sport, physical exercise and physical education to the specific goals of the SDGs. Based on the search done, this document selects those goals that could be integrated into the educational context through Physical Education. The bibliographic and narrative analysis carried out in this research shows that of the 169 specific goals proposed in the SDGs, only 24 could be worked on in Physical Education. In addition, after this previous analysis, a proposal for the relationship between the practice-based models and these 24 goals is presented. The contributions made in this paper will allow teachers to establish links between PE sessions and SDGs while raising awareness to develop students who contribute to a more sustainable world.

The brown pelican (Pelecanus occidentalis) is a species often affected by natural and man-made disasters such as hurricanes and oil spills as well as general human activities; that subsequently receives medical care and rehabilitation. During rehabilitation, blood may be collected for various testing to help with diagnosis, treatment, and monitoring. Reference intervals for this species are limited, dated, and typically from small sample sizes. Seventy one presumed healthy brown pelicans were sampled as a part of their pre-release examination from rehabilitation at the Wildlife Center of Texas after a large volume stranding in December 2014 to January 2015, and various venous analytes were measured to establish updated reference intervals for Brown Pelicans. Fibrinogen was measured via heat precipitation and the Abaxis VSPro equine Fibrinogen cartridge to determine reference intervals, and in an attempt to validate the VSPro for use in avian species. Abaxis VS2 Avian/Reptile Chemistry panel, iSTAT CG4+, and iSTAT Chem8+ results in addition to body condition score, spun PCV, cloacal temperature and fibrinogen were measured. Proposed reference intervals for brown pelicans are presented. Fibrinogen results were not comparable between the gold standard method and the VSPro, indicating that the VSPro is not appropriate for use in brown pelicans.

Cannabis sativa is one of the oldest plants utilized by humans for both economic and medical purposes. Although the use of cannabis started millennia ago in the Eastern part of the hemisphere, its use has moved and flourished in the Western Nations in more recent centuries. C. sativa is the source of psychoactive cannabinoids that are consumed as recreational drugs worldwide. The C21 aromatic hydrocarbons are restricted in their natural occurrence to cannabis (with a few exceptions). Delta-9-tetrahydrocannabinol (Δ9-THC) is the main psychoactive component in cannabis with many pharmacological effects and various approved medical applications. However, a wide range of side effects are associated with the use of Δ9-THC, limiting its medical use. In 1966, another psychoactive cannabinoid, Delta-8-tetrahydrocannabinol (Δ8-THC) was isolated from marijuana grown in Maryland but in very low yield. Δ8-THC is gaining increased popularity due to its better stability and easier synthetic manufacturing procedures compared to Δ9-THC. Passing the U.S. Farm Bill in 2018 led to an increase in the sale of Δ8-THC in the United States. The marketed products contain Δ8-THC from synthetic sources. In this review, methods of extraction, purification, and structure elucidation of Δ8-THC will be presented. The issue of whether Δ8-THC is a natural compound or an artifact will be discussed, and the different strategies for its chemical synthesis will be presented. Δ8-THC of synthetic origin is expected to contain some impurities due to residual amounts of starting materials and reagents as well as side products of the reactions. The various methods of analysis and detection of impurities present in the marketed products will be discussed. The pharmacological effects of Δ8-THC, including its interaction with CB1 and CB2 cannabinoid receptors in comparison with Δ9-THC, will be reviewed.

Cratylia argentea is a leguminous shrub with a great potential for livestock feeding in tropical areas. However, time consuming and labor-intensive methods of chemical analysis limits the understanding of its nutritive value. Near infrared spectroscopy (NIRS) is a low-cost technology that has been widely used in forage crops to fasten the assessment of its chemical composition. The objective of this study was to develop prediction models to assess crude protein (CP), neutral detergent fiber (NDF), acid detergent fiber (ADF) and dry matter (DM) of Cratylia based on NIRS and partial least square analysis. A total of 155 samples were harvested at different maturity levels and used for model development, whereas 107 were used for calibration and 48 for external validation. The cross-validation presented Root Mean Square Error of Prediction of 0.77, 2.56, 3.43, and 0.42; a Ratio of Performance to Deviation of 4.8, 4.0, 3.8, and 3.4; an R2 of 0.92, 0.92, 0.87, and 0.84 for CP, NDF, ADF, and DM, respectively. Based on the obtained results, we conclude the ability to predict chemical parameters of Cratylia with the current model was accurate. This way, livestock producers and researchers may use it to fasten the assessment of Cratylia’s nutritive value.

Background: Wastewater represents a health risk for populations. For sanitary safety, it is important to know their physico-chemical and microbiological qualities in order to better understand the risks incurred by the population. Objective: The aim of this study is to analyse the microbiological and physico-chemical quality of domestic wastewater in Adétikopé. Methodology: 12 wastewater samples were collected in Adétikopé from December 2022 to February 2023. Physico-chemical parameters were determined in accordance with AFNOR T90-105/ T90-023 and French standard NF T 90101. In microbiology, AFNOR was used as a reference for the detection of germs contaminating wastewater. Results were assessed in relation to European Union Criteria 98/83/EC. Results: The wastewater analyzed had a pH close to neutral, with an average pH of 7.05. The pollutant load generated ranged from 32 mg/l to 201 mg/l for BOD5, from 660 mg/l to 900 mg/l for COD and from 408 mg/l to 2080 mg/l for suspended solids. Concentrations of fecal coliforms and fecal streptococci are very high, far exceeding WHO guidelines for population health safety.

Global pollution from fossil plastics is one of the top environmental threats of our times. The end-of-life scenarios of fossil plastic, including recycling, incineration and disposal result in mi-croplastic formation, elevated atmospheric CO2 levels, and littering of terrestrial and aquatic environments by plastic waste. Currently thought-out regulations centered around banning plastics production and use and only recycling on a regional, national and global level are impeding efforts to rapidly replace fossil plastics through the use of natural alternatives. In particular, this review demonstrates how mi-crobial polyhydroxyalkanoates (PHA), a class of intrinsically natural polymers, can easily remedy for the fossil and persistent plastic dilemma. PHA are bio-based, bio-synthesized, bio-compatible, bio-degradable, and home- and industrially compostable. Therefore, they are one of the perfect replacements for our fossil plastics pollution dilemma, providing us with the benefits of fossil plastics and meeting all requirements of a truly circular economy. PHA biopolyesters are natural and green materials in all aspects of their life cycle. The review elaborates in detail how PHA’s production, consumption, and end-of-life profile are perfectly embedded in the current topical 12 Principles of Green Chemistry, which constitute the basis for sustainable product manufacturing. It is shown that it is time for a paradigm shift in plastics manufacturing, use and disposal. Hu-mankind needs alternatives to fossil plastics, which, as recalcitrant xenobiotics, contribute to the increasing deterioration of our planet. Natural PHA biopolyesters represent that paradigm shift!

Laboratory medicine is a digital science. Every large hospital produces a wealth of data each day - from simple numerical results from e.g. sodium measurements to highly complex output of “-omics” analyses, as well as quality control results and meta-data. Processing, connecting, storing, and ordering extensive parts of these individual data requires Big Data techniques. Whereas novel technologies such as artificial intelligence and machine learning have exciting application for the augmentation of laboratory medicine, the Big Data concept remains fundamental for any sophisticated data analysis in large databases. To make laboratory medicine data optimally usable for clinical and research purposes, they need to be FAIR: findable, accessible, interoperable, and reusable. This can be achieved for example by automated recording, connection of devices, efficient ETL (Extract, Transform, Load) processes, careful data governance, and modern data security solutions. Enriched with clinical data, laboratory medicine data allow a gain in pathophysiological insights, can improve patient care, or they can be used to develop reference intervals for diagnostic purposes. Nevertheless, Big Data in laboratory medicine do not come without challenges: The growing number of analyses and data derived from them is a demanding task to be taken care of. Laboratory medicine experts are and will be needed to drive this development, take an active role in the ongoing digitalization, and provide guidance for their clinical colleagues engaging with the laboratory data in research.

Viral infections inflict many serious human diseases, being responsible for remarkably high mortality rates. In this sense, both the academy and the pharmaceutical industry are continuously searching for new compounds with antiviral activity, and in addition, face the challenge of developing greener and more efficient methods to synthesize these compounds. This becomes even more important with drugs possessing stereogenic centers as highly enantioselective processes are required. In this minireview, the advances achieved to improve synthetic routes efficiency and sustainability of important commercially antiviral chiral drugs are discussed, highlighting the use of organocatalytic methods.

“Clickase” single-chain nanoparticles (Ck-SCNPs) are folded, enzyme-mimetic unimolecular polymeric nano-objects containing copper (Cu) ions able to catalyze the azide-alkyne Huisgen cycloaddition reaction in water and/or selected organic solvents, often in the presence of a reductant. Herein, we investigate the effect of morphology on catalytic activity of Ck-SCNPs synthesized by means of two different routes. An amphiphilic random copolymer composed of oligo(ethylene glycol) methyl ether methyl methacrylate (OEGMA) and 2-acetoacetoxy ethyl methacrylate (AEMA) units was used as precursor of these Ck-SCNPs. Folding was promoted through metal complexation between Cu(II) ions and beta-ketoester-containing AEMA moieties. The first route resulted in Ck-SCNPs1 containing Cu ions homogeneously distributed within each nanoparticle, whereas the second one promoted intra-chain clustering of Cu ions inside Ck-SCNPs2. A model fluorogenic “click” reaction between 9-(azidomethyl)anthracene and phenylacetylene, which was catalyzed either by Ck-SCNPs1 or Ck-SCNPs2, was used to unravel the effect of morphology on catalytic activity. This work paves the way to improve the catalytic activity of metallo-folded SCNPs through control of the intra-chain distribution of catalytic sites.

Hydrogenases are iron-sulfur enzymes that catalyze proton reduction and H₂ oxidation with outstanding efficiency. They are considered blueprints for the design of transition metal complexes, e.g. as heterogenous catalysts in the context of H₂ production from water. Moreover, hydrogenases are biological model systems for metal hydride chemistry and proton-coupled electron transfer. Depending on the composition of the active site cofactor, [NiFe]-hydrogenases are distinguished from [FeFe]-hydrogenases. The former binds a hetero bimetallic nickel/iron site, embedded in the protein by four cysteine ligands. The later, by contrast, carries a homo bimetallic iron/iron site attached to the protein by only a single cysteine. Carbon monoxide and cyanide ligands (CO/CN) at the active site facilitated detailed investigations of hydrogenase catalysis by infrared spectroscopy, owing to strong signals and redox-dependent frequency shifts. However, the details of proton transfer have not been addressed experimentally.We found that specific redox state transitions in [NiFe]- and [FeFe]-hydrogenase can be triggered by visible light to record extremely sensitive ‘light-minus-dark’ infrared difference spectra monitoring key amino acid residues as shown in the ToC figure. As these transitions are coupled to protonation changes, our data allowed investigating dynamic hydrogen-bonding changes that go well beyond the resolution of protein crystallography. In [NiFe]-hydrogenase, photolysis of the bridging hydride ligand in the ‘Ni-C’ state was followed by rapid accumulation of the ‘Ni-SI_a’ state and/or ‘Ni-L’ state. Infrared difference spectra in various isotopic media clearly indicated the formation of a protonated cysteine residue as well as hydrogen-bonding changes involving the COOH group of a glutamic acid residue and a ‘dangling water’ molecule. These findings are in excellent agreement with crystallographic analyses of [NiFe]-hydrogenase in the Ni-R state and allowed devising a molecular precise model of catalytic proton transfer. In [FeFe]-hydrogenase, an external redox dye was used to accumulate the ‘Hred’ state over the oxidized resting state ‘Hox’. Infrared difference spectra of wild-type enzyme and numerous amino acid variants indicated hydrogen-bonding changes involving the COOH groups of two glutamic acid residues. Moreover, we noted the deprotonation of an arginine residue. Crystallographic analyses of [FeFe]-hydrogenase in the Hox state failed to explain the rapid proton transfer due to a ‘breach’ in the succession of residues. To this end, our findings facilitated a molecular precise model of ‘discontinued’ proton transfer.The comparison of catalytic proton transfer in bimetallic hydrogenases emphasizes the role of the outer coordination sphere. We suggest that the stable protonation of a nickel-ligating cysteine in [NiFe]-hydrogenase has a crucial influence on the preferred direction of proton flow and catalysis (i.e., H₂ oxidation). On the contrary, proton transfer in [FeFe]-hydrogenase involves an adjacent cysteine as a relay group that promotes both proton release and proton uptake. We presume that this causes the notable bidirectionality of [FeFe]-hydrogenase. These observations must guide the design of biomimetic compounds for the production or consumption of H₂.

In this research, the photocatalytic degradation of cypermethrin using Fe-TiO2 nanoparticles supported in a biomaterial was evaluated. The nanoparticles of TiO2 were synthesized by the green chemistry method assisted by ultrasound and doped by chemical impregnation using molar ratios Fe:Ti of 0, 0.05, 0.075 and 0.1, to make efficient use of direct sunlight (λ>310 nm). All nanoparticles were immobilized on the surface of spathe of coconut palm (Cocos nucifera). The degradation was carried out at room temperature and natural pH in a flat plate solar reactor, on which the composite material was subjected. The concentration of cypermethrin was determined after 12000 J/m2 of accumulated radiation from GC-MS and the resulting material was characterized by Scanning electron microscopy (SEM), Transmission electron microscopy (TEM) image and selected area electron diffraction (SAED), Fourier transform infrared spectroscopy (FTIR), UV-Vis spectrophotometry of diffuse reflectance and BET surface area BET surface area. The best results were achieved with the use of Degussa TiO2 P-25, Fe:Ti=0 and Fe:Ti=0.05 in suspension, with percentages of degradation of cypermethrin of 99.84, 99.62, and 100%, respectively. However, the materials supported on the biomaterial of coconut, they allowed to reach degradation percentages higher than 80% with the advantage that it minimizes operating costs, since they are not necessary filtering or centrifuging processes to separate the catalyst.

Organic compounds that contain poly-triazole are very important intermediates in pharmaceutical and chemical industry. Click chemistry is one of essential reactions that can form C-N bond with high atom economy. The research progress in metals catalyzed Click chemistry of azides and alkynes from the perspective of reaction mechanism is categorized and summarized.

Purpose：Herein, aimed to explore routines to improve students' physical health.Methods:We explored the integration of extracurricular fitness running "Lerun" into college physical education curriculum. Firstly, experimental and the referring groups were selected by experimental method, in which only the experimental group was intervened in combination with extracurricular fitness running "Lerun". After two experiments, the experimental and referring groups were compared in terms of physical fitness (speed, strength, endurance, flexibility, explosive force, etc.), sports skills, body shape, cardiopulmonary function, etc. Results:After T-test, significant differences (p<0.05) between these two groups prove that the students' physical health status of experimental group is better than that of the referring group. Conclusion：It manifests that integrating extracurricular fitness running "Lerun" into college physical education curriculum is an effective means to improve students' physical health.

The purpose of this article was to check the relashionship of different types of physical activities, BMI, smoking and alcohol consumption (with control for age, sex and level of education) on health (physical and mental). The study was based on Belgium epidemiological data (10661 participants from 19 to 81 years old for whom we have health indicators over a period of 11 years) together with questionnaires about alcohol, tobacco consumption and the frequency of different types of physical activities. Descriptive statistics and regression analysis of epidemiological data was performed with use of STATA v.14. Our results indicate that the different categories of physical activities (PA) had some differences on health indicators impacts. Our findings confirm that leading a healthy life style (all types of physical activities and weight maintenance) is an important issue since it has a significant relationship with physical and mental health indicators, but outdoor physical activities and practicing leisure sport in group have shown slightly higher magnitude in association on general health. Magnitude of association of PA with physical and mental health indicators was similar to those observed with smoking and alcohol consumption.

Physical inactivity is a well-known risk factor for various non-communicable diseases (NCDs). Sufficient physical activity (PA) is essential for the prevention of NCDs and thus it is imperative to study the current status of PA and its influencing factors among rural residents in China. A population-based survey was conducted in rural areas of Shandong, Shanxi and Yunnan Provinces using a stratified random sampling method. The International Physical Activity Questionnaire Short Form (IPAQ-S) was used to collect the data on PA. A total of 3780 rural residents participated in the survey. The result showed that 22.2% of rural residents were physical inactivity. The proportion of rural residents reporting practice of physical exercise was 54.4%. The most frequently performed physical exercise was walking/brisk walking(78.3%).Binary logistic regression analyses showed that being female, people at age between 15 to 34 years or 60 years old and above, employees of governmental departments/retirees, school students, the unemployed, people with NCDs were risk factors of PA and ethnic minority groups,smoking and alcohol consumption were risk factors of physical exercise. Health promotion programme aiming at increasing people’s PA in rural China is needed and it should focus on the populations groups of the female, people at age 60 years and above ,school students, the unemployed, and people with NCDs.

The purpose of this article was to check the effects on health of various types of physical activities, diet, BMI, smoking and alcohol consumption and their interrelationships with control for age, sex and level of education. The study was based on epidemiological data (9617 participants from 19 to 81 years old for whom we have health indicators over a period of 11 years) together with questionnaires about diet, alcohol, tobacco and the frequency of different types of physical activities. Descriptive statistics and non-parametric correlational analysis of epidemiological data was performed with use of SPSS v.19. Our results indicate the existence of the significant relationship between leading a healthy life style (type of physical activities, limitations of fats consume and weight maintenance). However, the different categories of physical activities were analysed separately and showed slight differences on health indicators impacts. Our findings confirm that leading a healthy life style (all types of physical activities, limitations of fats consume and weight maintenance) is an important issue since it has a significant relationship with physical and mental health indicators, but outdoor physical activities and practicing sport in group have shown slightly higher impact on health.

A sustainable reversed-phase chromatographic method has been developed and validated for the simultaneous determination of three active pharmaceutical ingredients, dorzolamide, brinzolamide, and timolol, used to treat glaucoma. The eco-friendly solvent isopropanol has been used as an organic mobile phase constituent. According to the Hansen space green solvent selection tool, isopropanol has a G score of 6.5, comparable to ethanol, which has a G score of 6.6. The mobile phase consists of isopropanol: aqueous sodium acetate buffer (0.1 M, pH 4.25) in the ratio of 10:90 (v/v). The flow rate was maintained at 1 mL/min. Dorzolamide and brinzolamide were detected at 254 nm, and timolol was detected at 295 nm. A high-purity silica with a polymeric C18 modification column (5 µm,150 x 4.6 mm) was used for this separation. The three compounds were eluted within 8 min. The method was validated according to ICH guidelines. The calibration curves were linear in the range of 20-70 µg/mL, 40-140 µg/mL, and 20-70 µg/mL for dorzolamide, brinzolamide, and timolol, respectively. The LODs were found to be 1.61 µg/mL, 1.60 µg/mL, and 3.16 µg/mL for dorzolamide, brinzolamide, and timolol, respectively. Good accuracy and precision were obtained for the three compounds. The greenness and whiteness of the method were indicated using the AGREE and RGB12 tools, respectively.

Cyrene was evaluated for the first time as a potential sustainable mobile phase solvent in re-versed-phase chromatography. As a benign biodegradable solvent, Cyrene is an attractive re-placement to classical non-green organic chromatographic solvents such as acetonitrile and a modifier, co-eluent to known green solvents such as ethanol. Compared to ethanol, Cyrene is less toxic, non-flammable, bio-based, biodegradable and cheaper solvent. A fire safety spider Chart was generated to compare the properties of Cyrene to ethanol and show its superiority as a greener solvent. Cyrene's behaviour, advantages, and drawbacks in reversed-phase chromatography, including cut-off value, elution power, selectivity, and effect on the column, were investigated using a model drug mixture of moxifloxacin and metronidazole. A monolithic C18 (10 x 4.6 mm) column was used as a stationary phase. Different ratios of Cyrene: ethanol with an aqueous portion of sodium acetate buffer mobile phases were tested. A mobile phase consisting of Cyrene: ethanol: 0.1 M sodium acetate buffer pH 4.25 (8:13:79, v/v) was selected as most suitable mobile phase system for separating and simultaneously determining metronidazole and moxifloxacin. The greenness and whiteness of the method were evaluated using the qualitative green assessment tool AGREE and the white analytical chemistry assessment tool RGB12. Further potentials of Cyrene as a solvent or modifier in normal phase chromatography, liquid chromatography-mass spectrometry, and supercritical fluid chromatography are discussed.

In recent years the study of the teacher-student relationship in the teaching-learning processes in physical education has had great emphasis. Previous studies have shown that the use of the Spectrum of teaching Styles can enhance intrinsic motivation, enjoyment, adherence to physical activity and physical activity levels in children and adolescents. The present study aims to assess if a physical education (PE) intervention based on the variations in teaching styles, with reference to production ones, can also have positive effects on physical fitness. The sample involved 4 primary school classes (n = 124 children, mean age = 8-10 years) recruited from the SBAM (Health, Wellness, Food Education and Movement at School) Project in Apulia, Southern Italy. Classes were randomly assigned to Experimental Group (EG) and Control Group (CG). EG followed a 5months experimental intervention based on the variation of teaching styles, while CG performed regular PE lessons. Physical fitness test was assessed with Standing Long Jump (SLJ), Medicine Ball Throw 1kg (MBT), and 20m sprint (20m), while two validated questionnaires were used to evaluate physical self-perception (PSP) and enjoyment. A 2x2 (intervention group x time) ANOVA was carried out to assess significant difference and interaction effect pre (t0) and post (t1) intervention protocol. Data analysis showed a significant improvement of physical fitness in both EG and CG, while PSP and enjoyment increased only in EG. Moreover, significant interaction (p&lt;. 05) effects were found for 20m sprint, PSP and Enjoyment with low effect size (η2 ~. 20). The results of the present study highlight the effectiveness of a PE intervention based on the variation of teaching styles in improving physical fitness, self-perception, and enjoyment. Moreover, the use of production teaching styles significantly impacts self-perception and enjoyment, that are important mediating factors for guarantee better adherence to physical activity.

Obesity is related to the establishment of chronic inflammation and metabolic diseases, but it can be positively influenced by the regular practice of physical activity. The study aimed to compare the anthropometric, metabolic, and inflammatory parameters of physically active Military Police Officers (MPOs) with those who are less physically active. Sixty male MPOs, low activity (n=28) and physically active (n=32) participated. The following parameters were measured: plasma cytokine levels, C-reactive protein (CRP) levels, circulating glucose triglyceride (TAG) and high-density lipoprotein cholesterol (HDL-C) levels, and plasma glutamic oxalacetate transaminase (GOT), glutamic-pyruvate transaminase (GPT), and gamma-glutamyl transferase (GGT) activities. The physically active group presented lower body fat and reduced TAG and IL-8 levels compared to the low activity group. Moreover, a negative correlation between SPE and SBP, DBP, BPM was detected for the physically active group (p<0.05) but not in the low activity group. Furthermore, the physically active group's work time (WT) values were not correlated with the important metabolic markers SBP, DBP, BPM, GLU, TAG (p>0.05) but could be in the low activity group (p<0.05). These findings highlight the fundamental protective role of physical activity in controlling body composition, subclinical inflammation, and cardiovascular risk in MPOs.

Athletes are exposed to high-intensity loads to promote athletic performance, however without appropriate evaluation for its effects. This study investigates the effects of four types of exhaustion exercises on Heart Rate Variability (HRV) and Poincaré features as markers of central fatigue; Creatine Kinase (CK) and blood lactate concentrations ([LA-]b) as biomarkers of peripheral fatigue. To achieve this purpose, ten healthy volunteers were exposed to exhaustive exercise using isotonic-, isometric-, aerobic-, and anaerobic-fatigue protocols. HRV Poincaré features, standard deviation of instantaneous beat-to-beat R-R interval variability (SD1) and standard deviation of continuous long-term R-R interval variability (SD2) variables were collected. Central fatigue was tested through the sympathetic stress index (SS) and the sympathetic and parasympathetic index (SS/SD1). Blood samples were collected at the beginning and at the end of the exercises to determine CK and [LA-]b. The SD1 decreased in each exercise protocol, while the SS and SS/SD1 increased. [LA-]b and CK increased at the end of each protocol and correlated with SD1 and SS/SD1. HRV, CK, and [LA^-]_b are acute markers to detect, both central and peripheral fatigue; sensitive to the type, duration, and intensity of exercise, being HRV a novel noninvasive marker, simple and useful for sports coaches and athletes.

Adequate energy intake is critical for the healthy longevity of older adults, and the estimated energy requirement is determined by total energy expenditure (TEE). We aimed to identify the relationship between measured aerobic capacity and TEE, activity energy expenditure (AEE) or physical activity level (PAL) with the doubly labeled water (DLW) methods in the advanced older adults. A total of 12 physically independent older adults (10 males and 2 females) aged between 81 to 94 years participated in this study. Aerobic capacity was evaluated according to the lactate threshold (LT). TEE under free-living conditions was assessed using the DLW method, and self-reported physical activity was obtained through the Japanese version of the International Physical Activity Questionnaire (IPAQ). LT was significantly positively correlated with TEE, AEE, and PAL after adjustment for age and sex (ρ= 0.77 (P<0.01), 0.86 (p<0.01), and 0.86 (p<0.01), respectively). We found the LT as an aerobic capacity is positively and independently correlated with TEE, AEE or PAL. The present results suggest that maintaining aerobic capacity is an important factor for preventing frailty, although further research is needed to multisite studies and many samples.

Several chemistry-climate models (CCM) underestimate the total column ozone (TCO) over the polar region in the Southern Hemisphere during wintertime. To evaluate potential causes of the problem, we exploit CCM SOCOLv3 to study the TCO over Antarctica sensitivity to the: (1) photo-dissociation rates of ozone for large solar zenith angles; (2) rates of the stratospheric heterogeneous reactions, and (3) intensity of the meridional flux into the polar regions due to sub-grid scale mixing processes in the model. Comparisons of the model results with the satellite-based IASI (Infrared Atmospheric Sounder Interferometer) sensor measurements showed that the most important processes for the improvement of the polar ozone simulation results are photolysis and horizontal mixing. The reasonable tuning of these factors has allowed us to improve the model representation of the ozone annual cycle over the southern polar region. The proposed increase of the horizontal mixing can be recommended for the CCMs with relatively low horizontal resolution.

Fe[C5H5N]2[N(CN)2]2 (1) was synthesized from a reaction of stoichiometric amounts of NaN(CN)2 and FeCl2·4 H2O in a methanol/pyridine solution. Single-crystal and powder diffraction show that 1 crystallizes in the monoclinic space group I2/m (no. 12), different from Mn[C5H5N]2[N(CN)2]2 (P21/c, no. 14) due to tilted pyridine rings, with a = 7.453(7) Å, b = 13.167(13) Å, c = 8.522(6) Å, β = 114.98(6)° and Z = 2. ATR-IR, AAS, and CHN measurements confirm the presence of dicyanamide and pyridine. Thermogravimetric analysis shows that π-stacking interactions of the pyridine rings play an important role in structural stabilization. Based on DFT-optimized structures, a chemical bonding analysis was performed using a local-orbital framework by projection from a plane-wave basis. The resulting bond orders and atomic charges are in good agreement with the expectations based on the structure analysis. SQUID magnetic susceptibility measurements show a high-spin state FeII compound with predominantly antiferromagnetic exchange interactions at lower temperatures.

Alginate extraction is from seaweed, and lignin separation is from by-product corn (stalks and leaves). Alginate/lignin is a synthetic polymer rich in biological activity of great interest. Antioxidant activities of alginate/lignin were evaluated, such as total antioxidant activity, reducing power activity, DPPH free radical scavenging activity, and α – glucosidase inhibition activity. The test of anticancer activity was on four cell lines (Hep G2, fibroblast, MCF-7, and NCI H460). Determination of physical-chemistry characteristics of alginate/lignin was through FTIR, DSC, SEM_EDS, SEM_EDS mapping, XRD, XRF, and 1H-NMR. A study of acute toxicity of alginate/lignin was on Swiss albino mice. The results showed alginate/lignin possessed antioxidant activity such as total antioxidant activity, reducing power activity, especially, α – glucosidase inhibition activity, and no free radical scavenging activity. Alginate/lignin did not be typical in cancer cell lines. Alginate/lignin existed in a thermally stable regular spherical shape in the investigated thermal region. Some specific functional groups of alginate and lignin did not exist in alginate/lignin crystal. Elements such as C, O, Na, and S were popular in the alginate/lignin structure. LD0 and LD100 of alginate/lignin in mice were 3.91 g/kg and 9.77 g/kg, respectively. Alginate/lignin is the potential for application as pharmaceutical materials, functional foods, and supporting diabetes treatment.

Successful fertilization treatments targeted to improve stand productivity while reducing operational complexities and cost depend on a clear understanding of soil nutrient availability under varying environmental conditions. Soil nutrient data collected from 154 forest sites throughout the Inland Northwest, USA were analyzed to examine soil nutrient characteristics on different geologic soil parent materials and to rank soil fertility. Results show that soil parent material explains significant differences in soil nutrient availability. Soils developed from volcanic rocks have the highest CEC and are relatively high in P, K, S, Mg, Cu, Ca, and B, but generally poor in N. Forest soils developed from plutonic rocks exhibit the lowest CEC and are low in N, S, K, Mg, Cu, and Ca, but higher in P. Some soils located on mixed glacial till are low only in K, Cu, Mg, and Ca, but many glacial soils are relatively rich in other nutrients, albeit the second lowest CEC. Soils developed from metasedimentary and sedimentary rocks are among those with lowest soil nutrient availability for P and B. Sulfur was found to have the highest concentrations in metasedimentary influenced soils and the least in sedimentary derived soils. Our results should be useful in designing site-specific fertilizer and nutrient management prescriptions for forest stands growing on soils developed from these major geologies within the Inland Northwest region of the United States.

Heterocycles are unique precursors for the synthesis of various pharmaceuticals and agrochemicals particularly those possessing N- or O- moieties. The development of methods to prepare heterocycles is of great importance in synthesis of organic compounds, especially the heterocycles which can be found in natural products. The synthesis of nitrogen and oxygen containing heterocycles viz. coumarins, dihydropyrimidinones, imidazoles, isoxazoles and benzimidazoles represented an attractive and demanding work for chemists as these nucleus has found extensive applications in several fields such as material science, analytical chemistry and most importantly in medicinal chemistry. Organic synthesis has been attracted towards the development of new environmental friendly procedures to achieve the goals of green chemistry. The fundamental aspects of green chemistry are use of biocatalysts and environmental benign solvents under mild conditions. The present review article summarized the green synthetic methods and biological activities of nitrogen and oxygen containing heterocycles.

Cyanides, though naturally occurring, are environmental pollutants when not treated properly. Some methods used to attenuate cyanides in waste waters from industrial processes are based simply on changing the physico-chemical properties of the waste water such as the pH and temperature. The effectiveness of these methods are based on hydrolysis of the cyanide and volatilization of the hydrogen cyanide formed. Another reaction which takes place simultaneously is ultraviolet-catalysed oxidation which converts the cyanide to bicarbonates and carbonates.The changes in the cyanide degradation rate approaches a minimum faster if the cyanide solution is maintained at a higher than ambient constant temperature.

Hydroxychloroquine, a known antiviral metabolite of chloroquine, is increasingly used along with antibiotic azithromycin for the treatment of COVID-19 infection. In about one month India, the world’s largest manufacturer, delivered hydroxychloroquine for treating COVID-19 to over 50 countries. The therapy is being used across the world both for patients staying at home at the early phase of symptoms, as well as for patients hospitalized. We summarize achievements as of late April 2020, review possible modes of action and suggest avenues for the quick scale-up of production of hydroxychloroquine.

On the primitive Earth, both L- and D-amino acids would have been present. However, only L-amino acids are essential blocks to construct proteins in modern life. To study the relative stability of homochiral and heterochiral peptides, a variety of computational methods were employed. 10 prebiotic amino acids (Gly, Ala, Asp, Glu, Ile, Leu, Pro, Ser, Thr, and Val) were previously determined by multiple previous meteorite, spark discharge, and hydrothermal vent studies. We focused on what had been reported as primary early Earth polypeptide analogs: 1ARK, 1PPT, 1ZFI, and 2LZE. Tripeptide composed of only Asp, Ser, and Val exemplified that different positions (i.e., N-terminus, C-terminus, and middle) made a difference in minimal folding energy of peptides, while the classification of amino acid (hydrophobic, acidic, or hydroxylic) did not show significant difference. Hierarchical cluster analysis for dipeptides with all possible combinations of the proposed 10 prebiotic amino acids and their D-amino acid substituted derivatives generated five clusters. Prebiotic polypeptides were built up to test the significance of molecular fluctuations, secondary structure occupancies, and folding energy differences based on these clusters. Most interestingly, among 129 residues, mutation sensitivity profiles presented that the ratio of more stable to less stable to equally stable D-amino acids was about 1:1:1. In conclusion, some combinations of a mixture of L- and D-amino acids can act as essential building blocks of life. Peptides with α-helices, long β-sheets, and long loops are usually less sensitive to D-amino acid replacements in comparison to short β-sheets.

The combination of eco-respectful epoxy compounds with the humins, a by-product of biomass chemical conversion technologies, allow the obtention of materials with high added value. In this work, we propose the chemical connection study of humins with two aliphatic diepoxides through the copolymerization reactions to synthesize sustainable bio-based thermosets. The mechanism insights for the crosslinking between the epoxides and humins was proposed considering the different functionalities of the humins structure. FT-IR spectroscopy, 1 D and 2 D NMR spectroscopy techniques were used to build the proposed mechanism. By these techniques, the principal chain connections and the reactivity of all the components were highlighted in the synthesized networks.

The cross-linkable PCL-PEG analogues block-graft copolymer was designed and synthesized, which with the copolymer of the MEO₂MA and OEGMA as graft chains to improve the mPEG-b-PCL-b-mPEG copolymer the aqueous solution properties. And successfully prepared two hydrogels via a copper-catalyzed 1, 3-dipolar azide-alkyne cycloaddition reaction of alkyne-terminated poly[glycidyl methacrylate-co-2-(2-methoxyethoxy) ethyl methacrylate-co-oligo (ethylene glycol) methacrylate] [P(GMA-co-MEO₂MA-co-OEGMA)] with azide end-functionalized PCL-PEG analogues block-graft copolymer, and tetrakis (2-propynyloxymethyl) -methane (TPOM) and with azide end-functionalized PCL-PEG analogues block-graft copolymer. The copolymer's chemical structure was characterized by proton nuclear magnetic resonance spectroscopy and fourier transform infrared spectroscopy. The molecular weights of the copolymers were decided with gel permeation chromatography. The water solubility and temperature sensitivity of the copolymers were studied by taking digital photos and transmittance change measured by UV spectrophotometer at different temperatures. Fluorescence probes, surface tension, dynamic light scattering and transmission electron microscopy were used to analyze the micelles that copolymers self-assembly in aqueous solution. The sol-gel behavior of copolymer solutions at high concentrations was explored by vial inversion experiments. Finally, the network structure of the gels was observed by scanning electron microscopy. These conclusions indicate that these hydrogels are expected to be used as a new material in the field of biomedicine.

Glycerol is a subproduct of biodiesel production and represents an important problem when generated in large scale. Alternatives that can utilize this unrefined byproduct is of potential interest. It is herein described the synthesis of a series of 1,2,3-triazoles using glycerol as starting material. The key step involved in the preparation of triazolic derivatives corresponded to the Copper(I)-catalyzed Azide-Alkyne Cycloaddition (CuAAC), also known as click reaction, between 4-(azidomethyl)-2,2-dimethyl-1,3-dioxolane (3) and different terminal alkynes. The eight prepared derivatives were evaluated with regard to their fungicide, phytotoxic and cytotoxic activities. The fungicide activity was assessed in vitro against Colletotrichum gloeosporioides, the causing agent of papaya anthracnose. It was found that the compounds 1-(1-((2,2-dimethyl-1,3-dioxolan-4-yl)methyl)-1H-1,2,3-triazol-4-yl)cyclohexanol (4g) and 2-(1-((2,2-dimethyl-1,3-dioxolan-4-yl)methyl)-1H-1,2,3-triazol-4-yl)propan-2-ol (4h) demonstrated high efficiency on controlling C. gloeosporioides when compared to the commercial fungicide tebuconazole. The triazoles did not present any phytotoxic effect when evaluated against Lactuca sativa. However, five derivatives were mitodepressive, inducing cell death detected by the presence of condensed nuclei and acted as aneugenic agents in the cell cycle of L. sativa. It is believed that glycerol derivatives bearing 1,2,3-triazole functionalities may represent a scaffold to be explored toward the development of new agents to control C. gloeosporioides.

Background: The association between the individual and combined effects of moderate-to-vigorous physical activity (MVPA) and sleep quality with physical frailty in community-dwelling older adults is still unknown. Subjects and Methods: A cross-sectional study was conducted with a participants pool comprising older adults who had not been officially assessed as requiring nursing care or support services.. Physical frailty was assessed using Liu's definition based on Fried's concept. MVPA was measured by a triaxial accelerometer, and individuals who meet either MPA for ≥300 min/week, VPA for ≥150 min/week, or both of them were defined as "MVA+." "SLP+" was defined as a Pittsburgh Sleep Quality Index score &lt;5.5 points. We performed an ordinal logistic regression analysis to calculate the odds ratios (ORs) and 95% confidence intervals (CI) regarding the relationship between MVPA and sleep quality with physical pre-frailty and frailty. Results: The final analysis included 811 participants. After multivariate adjustment, compared to the MVA+SLP+, the MVA−SLP+ (OR 2.56, 95%CI: 1.80–3.62) and the MVA−SLP− (OR 3.97, 95%CI: 2.33–6.74) participants showed significantly higher ORs for physical pre-frailty and frailty. Conclusion: Community-dwelling older adults who did not meet MVPA criteria, regardless of sleep quality, had a higher risk of physical pre-frailty and frailty.

With the rise of Internet of Things (IoT) devices and Cyber-Physical Systems, the demand for more functional and high-quality software has increased tremendously. To meet this need, we must reengineer and reuse existing software, as well as develop new software formal verification methods. One such method is based on physical quantities defined by the System International, which have physical dimensions. The homogeneity of physical dimensions in software code enables us to check the software code in the space of base units, making it the first basis of the new software verification method. However, this method cannot check expressions with angles, angle speed, and other similar features. To address this, a transformation for physical value orientation introduced by Siano allows us to check software code for orientational, stabilization, and other related branches. This makes the orientational homogeneity the second basis of the new software verification method. To assess the effectiveness of the proposed method, we developed special software defect models based on the statistical characteristics of software code. We used a special statistical analysis tool to define the statistical characteristics of modern software and analyzed over 2 GB of C++ GITHUB code for drones. Based on the actual distribution of software characteristics, the proposed method can detect over 60% of latent software defects. Implementing this method can significantly reduce testing time, improve reliability, and enhance overall software quality.

Habit theory suggests that behavior performed in the presence of consistent cues is a core ingredient for successful habit development, with the repeated presence of these consistent cues facilitating the activation of automatic responses in future. We tested this assumption in a sample of 68 undergraduate students who, at baseline, reported on their physical activity behavior over the past year then, two weeks later, responded to measures of cue consistency, habit, and physical activity performance over the previous two weeks. As expected, habit mediated the effects of past behavior on prospectively measured behavior. Moreover, the mediating effect of habit between past and future behavior was significantly stronger in those reporting undertaking physical activity at the same time of day, doing the same activity, and in the same mood. Consistent place, people, and part of routine did not moderate the effects of habit. Results provide formative evidence for a key assertion of habit theory, that consistent contextual and internal cues are a cornerstone of habitual development and action, but also indicate the importance of examining different forms of cues and their impact on the formation and enaction of habits as some cues over others may be more relevant.

Background: To investigate the experiences and perspectives of rural physical therapists in relation to various telehealth strategies in physical therapy; Methods: A qualitative field study was conducted in [n=4,344] remote regions of [n=6] (Mexico). Using telehealth technology, 16 physical therapists from 6 clinics expanded their reach and provided physical therapy care to patients located in nonmetropolitan sites. The outcomes measured were the sociodemographic characteristics, telemedicine modalities employed, and the types of treatments administered. These assessments were conducted pre, post-intervention, and during the follow-up period; Results: This study included 4,344 participants, averaging 44.5 ±20.7 years old. Most visits (80.1%) were initial, while 19.9% were follow-ups, with an average of 12.4 ±4.7 sessions. "Puebla sur" had the highest case frequency (29.3%), followed by "Tlalnepantla" (27.5%), "CAPU" (17.4%), "Tlalpan" (15.5%), and "Guadalajara" and "Guatemala" clinics with lower frequencies (8.8% and 1.5%, respectively); Conclusions: This study highlights the potential of telemedicine to surmount barriers such as limited access to healthcare facilities, physical impediments faced by patients in rural areas, and financial burdens on families. The findings contribute to the optimization of telehealth strategies, specifically tailored to the unique challenges of rehabilitation care in underserved rural communities.

Background: In PE, the methodology used to develop coeducation must consider the tastes and preferences of students. The purpose of this work was to analyze how teachers work with different aspects of PE classes and how their work is perceived by students. Methods: The sample was formed by 176 teachers and 1,136 secondary school students. The research design was descriptive. The Questionnaire of Coeducational Aspects in Physical Education for teachers and the Questionnaire of Perception of Equality and Discrimination in Physical Education for Students. Results: The different statistical analyses showed significant differences in how male and female teachers assigned responsibility to the students and their control of motor activity space. In regards to the students, significant differences were found between boys and girls in their opinions of how their teachers apply the same rules to all the students. Conclusions: No differences exist between male and female teachers in regards to their utilization neither of materials and sexist language or in their evaluation and feedback given to the students. In regards to the students, girls perceive to a greater extent than their male counterparts that the activities in PE classes promote equality in the improvement of their capacities.

Water management systems help allocate water resources effectively, considering various demands such as agriculture, industry, domestic use, and environmental needs. They optimise water distribution and ensure equitable access, minimising water scarcity and conflicts. Critical elements of this system are often the target of various attacks. Depending on the target of the attack, different scenarios based on physical, cyber, or combined forms of attacks can be used. Requirements for the protection of water objects forming part of the critical infrastructure system are determined primarily by generally binding legal regulations, technical standards, or other requirements of third parties. These requirements imply the need to adopt certain protective measures. Physical protection system (PPS), as a convenient way of organising protective measures, makes it possible to prevent an unauthorised person from achieving his goal. Current procedures aimed at protecting objects use a qualitative or quantitative approach. The article presents the use case of a possible way to protect a selected water reservoir that has been identified as a national element of critical infrastructure in the subsector Drinking Water Provision. The use case is based on the analysis of safety requirements and subsequent design of the PPS water reservoir. To verify the functionality of the proposed PPS, a quantitative PPS model was created using a software tool, and four possible attack scenarios were simulated.

Abstract: Increasing physical activity (PA) and personal and social values are two of the greatest demands in the current educational system. This study examined the effect of a hybrid pro-gramme based on the Personal and Social Responsibility Model and Gamification. A total of 58 students (13.89 years old, SD = 1.14) in two groups (Experimental and Control) participated dur-ing a complete academic year. Motivation, physical activity and sedentary behaviour were as-sessed though questionnaires. Physical fitness was evaluated using previously validated field tests. The results showed significant differences over time between EG and CG in afterschool physical activity (APA) at the weekend (p = 0.003), sedentary time (p = 0.04) and speed-agility (p = 0.04). There were no significant differences in motivation. Regarding the intervention, speed-agility (p = 0.000), strength (p = 0.000), agility (p = 0.000), cardiorespiratory fitness (p = 0.001), APA-weekend (p = 0.000), APA-week (p= 0.000) and sedentary time (p = 0.000) increased signifi-cantly in the EG. Speed-agility (p = 0.000), APA-weekend (p = 0.03) and sedentary time (p = 0.008) increased in the CG. The use of this hybrid program can be useful to produced improvements in physical fitness, physical activity and sedentary hevaviours. The use of a hybrid program based on teaching personal and social responsibility and gamification strategies, produced improvements in physical fitness, physical activity and sedentary behavior, but not in motivation variables. Further research is demanded in order to contrast this relevant findings due to the potential drawbacks and diversity found in the scientific literature among model-based practice.

COVID-19 pandemic has drastically reduced physical activity (PA) behaviors of many people. Physical education (PE) is considered one of the privileged instruments to promote youths’ PA. We aimed to investigate the effects of lockdown on PE teachers’ behaviors promoting their students’ out-of-school PA and differences between three European countries. 1146 PE teachers (59.5% females) from France, Italy, and Turkey answered an online questionnaire about guiding students to engage in out-of-school PA, helping them to set PA goals, encouraging in self-monitoring PA, the pedagogical formats of these behaviors and feedback asked to students. RM-MANCOVAs were performed with a 2 Time (before and during the lockdown) × 3Country (France, Italy, Turkey) × 2 Gender factorial design, using teaching years and perceived health as covariates. A significant multivariate main effect Time×Country×Gender (p&lt;.001) was reported for the behaviors promoting students’ PA, with French and Italian teachers increasing some behaviors, while Turkish teachers showing opposite trends. Significant multivariate main effects Time×Country were found for formats supporting the behaviors (p &lt; .001) and for asked feedback formats (p&lt;.001). The massive contextual change imposed by lockdown caused different reactions in teachers from the three countries. Findings are informative for PA promotion and PE teachers’ education.

The aim of the study is to assess enjoyment and intensity of physical exercise while practicing physical activity (PA) in immersive virtual reality (IVR) using innovative training devices (omni-directional Omni treadmill and Icaros Pro flight simulator). The study also contains the results of subjective research on the usefulness of such a form of PA in the opinion of users. In total, 61 adults (10 women and 50 men) took part in the study. To assess the enjoyment level (EL) Interest/Enjoyment subscale of Intrinsic Motivation Inventory (IMI) was used. Exercise intensity was assessed during 10-minute sessions of active video games (AVGs) in IVR based on heart rate (HR). The average enjoyment level during physical exercise in IVR on the tested training devices was relatively high (Omni 5.74 points, Icaros 5.60 points). In the opinion of the majority of participants, AVGs on IVR training devices constitute a sufficiently useful form of movement to meet the needs of PA practiced in free time, and they can even replace some of the classic forms of movement. Intensity of PA during games on training devices was at the level recommended for health benefits for 92% (Omni) and 84% (Icaros Pro) of its duration. Based on the conducted research, it can be assumed that AVGs in IVR using a multi-directional treadmill and a flight simulator can be an effective tool for increasing participation in health-oriented PA.

Why did inanimate materials evolve into complex organisms and societies on Earth? This is a fundamental scientific question that has captivated humans for millennia. Here we propose the Carbon-Based Evolutionary Theory (CBET) to provide novel, direct, explicit, and relatively comprehensive answers to this question. The CBET identifies three key mechanisms based on some well-known principles of physics and chemistry (e.g., laws of thermodynamics) and some features of Earth and carbon-based entities (CBEs): the driving force mechanism that provides energy, the structural mechanism that generates new functions, and the natural selection mechanism that accumulates orderliness, all for the evolution of CBEs. These mechanisms lead to the progression from chemical to biological and social evolution, marked by the escalating hierarchy of CBEs and the increase in the quantity, diversity, and orderliness of high-hierarchy CBEs. The CBET clarifies the natural roots of multiple pivotal and seemingly paradoxical social notions, such as inclusiveness and competition, altruism and selfishness, freedom and restriction, as well as inherited advantages and acquired strengths. It advocates for the balanced, harmonious, and peaceful development of human society as well as the integration of all countries into a single harmonious social collective. The CBET unifies biology with physics and chemistry and could be a basic theory shared by the natural sciences and the social sciences. It could also be significant in the rational development of human society.

Gestational diabetes mellitus (GDM) is a hyperglycemia state that is typically diagnosed by an oral glucose tolerance test (OGTT), which is unpleasant, time-consuming, poorly reproducible, and tardy. The machine learning (ML) predictive models that have been proposed to improve GDM diagnosis are usually based on instrumental methods that take hours to get a result. Near-infrared (NIR) spectroscopy, a simple, fast and low-cost analytical technique has never been assessed for the prediction of GDM. This study aims to develop ML predictive models for GDM based on NIR spectroscopy, and to evaluate their potential as early detection or alternative screening tools according to their predictive power and time of analysis. Serum samples from the first (before GDM diagnosis) and the second (at the time of GDM diagnosis) trimester of pregnancy were analyzed by NIR spectroscopy. Four spectral ranges were considered, and 80 pretreatments were tested for each. NIR data-based models were built with single- and multi-block ML techniques. Every model was subjected to double cross-validation. The best first and second trimester models got areas under the receiver operating characteristic curve of 0.5768 ± 0.0635 and 0.8836 ± 0.0259, respectively. This is the first study reporting NIR spectroscopy-based methods for the prediction of GDM. The developed methods allow to predict GDM from 10 µL of serum in only 32 minutes. They are simple and fast, and have a great potential to be applied in clinical practice, especially as alternative screening tools to the OGTT at the time of GDM diagnosis.

Generative artificial intelligence tools are flourishing across various sciences, particularly in the educational domain. ChatGPT, with its versions 3.5 and 4.0, stands out for its multilingual capabilities, catering to both students and educators. This research aimed to evaluate the performance differences between these versions, and importantly, to compare the accuracy of ChatGPT's responses in English versus Arabic. In our study, we presented ChatGPT with 39 chemistry problems related to 6th-7th grade curriculum, including twenty-five open questions and fourteen multiple-choice questions. Each response was categorized as accurate, partially accurate, or inaccurate. Our analysis, focused on trends across versions and languages, revealed significant enhancements in version 4.0, particularly in its ability to process Arabic. However, despite these improvements, our findings indicate that responses in English consistently outperformed those in Arabic in terms of accuracy. In light of this discrepancy, we suggest that ChatGPT either incorporates additional Arabic databases into its training regimen or develops a code that adopts the following strategy to ensure more accurate responses in science education: questions should first be translated from Arabic to English, addressed, and then retranslated into Arabic before being presented to the user. This approach takes advantage of the greater accuracy of responses in English to benefit Arabic-speaking users, and it may also improve outcomes for speakers of other languages who experience less precise answers in the fields of chemistry or science education.

: Flotation performance in plants can significantly be affected by seasonal variations in different parts of the world. This is generally attributed to the changes in water temperature and pulp temperature in flotation plants, type and concentration of dissolved ions in process water. Extreme temperature conditions may be the major factor affecting flotation performance and mask the influence of water chemistry. Therefore, the interactive effects of the temperature and water chemistry should be taken into consideration, particularly for mine sites experiencing extreme temperature conditions. In this paper, effects of temperature, sulphate (SO42-), thiosulphate (S2O32-) and calcium (Ca2+) ions on the flotation performance of a Cu-Pb-Zn complex sulfide ore were investigated using a statistical experimental design and modelling approach. Batch scale kinetic flotation tests were conducted using the sequential flotation flowsheet of a bulk Cu-Pb flotation stage followed by a zinc rougher flotation stage. The results of the zinc flotation section were used for the statistical evaluation since the zinc concentrate was the product with an economic value for the mine. The results were evaluated using ANOVA analysis and regression analysis to determine the significant parameters and derive individual regression models for each flotation response with Design Expert software version 6.0.8. Individual regression models were developed using the significant main effects and their interactions for each flotation response. Then, the models were used to determine the concentration of the dissolved ions and pulp temperature required to achieve the maximum zinc recovery, maximum zinc grade or the optimum zinc grade and recovery. The details of statistical experimental design, discussions on the effects of the experimental factors and their interactions on the flotation performance and development of regression models are discussed in this paper.

The study of phytotherapy in dentistry is relevant due to the low occurrence of research in the treatment of oral pathologies, such as caries and periodontal disease. Thus, the aim of this research was to characterize the chemical composition of extracts from the leaves of Couroupita guianensis Aubl, including toxicological evaluation and the antioxidant and antimicrobial potential against Staphylococcus aureus, Streptococcus mutans and Candida albicans. Three extracts were prepared using assisted ultrasound, originating the Crude Ultrasound Extract (CUE) and Soxhlet apparatus, originating the Crude Soxhlet Extract (CSE) and the Ethanol Soxhlet Extract (ESE). In the analysis of the chemical composition, the presence of flavonoids, tannins and saponins were detected. LC-DAD analysis revealed the presence of caffeic acid, sinapic acid, rutin, quercetin, luteolin, kaempferol and apigenin in all extracts. In the GC-MS analysis, stigmasterol and β-sitosterol were identified in CUE and CSE. The antioxidant potentials, determined by the DPPH• and ABTS•+ methods, the ESE showed higher antioxidant activity (2.98 ± 0.96 and 4.93 ± 0.90, respectively). In the evaluation of toxicity, the CUE 50µg/mL and the ESE 50 µg/mL presented growth stimulation of Allium cepa roots. At a concentration of 750µg/mL, all extracts inhibited root growth. None of the extracts showed toxicity against Artemia salina. Antibacterial action was detected in all extracts, mainly against the microorganisms S. aureus and S. mutans; however, the antifungal action against C. albicans was not detected. From the results, the extracts of C. guianensis have therapeutic potential for use in the control of microorganisms in the oral microbiota.