Recent advances in single-atom catalysis resulted in readily accessible materials whose application in most catalytic reactions mediated by conventional nanoparticle-based catalysts often results in higher activity and selectivity. Can we expect catalysis by atomically dispersed atoms to find practical applications? Which are the hurdles to be overcome prior to widespread uptake of atomically dispersed metals in industrial synthetic processes and in hydrogen fuel cells?

The purpose of this study was to develop e-learning activities that integrated sustainability concepts and practices in process engineering education. Two blended courses were developed with two activities evaluated quantitatively and qualitatively to measure student engagement, quality of responses, and incorporation of sustainability in their arguments. Social network analysis and lexical analysis were used to assess students’ participation in discussions and peer reviews. In the online discussion, 97 comments were made averaging 120 words per comment. The participants averaged 3.88 comments, with the majority of comments exhibiting simple and complex argumentation, a deep reflection, and widespread use of terms associated with sustainability such as recycling, pollution, waste, and environment. Furthermore, evaluation of peer reviews revealed that the participants demonstrated they could identify errors and positives in an argument. Therefore, this study demonstrated that e-learning, particularly peer review and online discussion could help chemistry and engineering students understand sustainability.

This research presents a novel approach for estimating soil organic carbon (SOC) content in agricultural soils using a photocatalytic Chemical Oxygen Demand (PeCOD) analyzer integrated with Geographic Information System (GIS) technology for spatial analysis. The PeCOD method, which relies on photochemical oxidation of organic carbon, demonstrated an uncanny correlation between its values and SOC content, making it a quick and accurate way to estimate SOC levels. Finer materials, such as clayey soils, demonstrated higher SOC content compared to coarser ones and decreased with increasing soil depth. GIS georeferencing enabled precise mapping of SOC distribution and identification of hotspot areas with high SOC content. This study highlights the significance of soil texture and depth on SOC distribution and emphasizes its significance within geological context when studying soil properties. Research results have practical ramifications for sustainable agriculture, climate change mitigation and soil health management - providing farmers and land managers with strategies that increase carbon sequestration while simultaneously improving soil health. Integrating PeCOD analyzer technology with GIS technology offers promising avenues for advanced soil carbon monitoring practices that promote climate-smart agricultural practices.

Although the beneficial health effects of prebiotics have been demonstrated in numerous research papers, its incorporation into daily food remains unfamiliar to consumers. This work evaluates the resistant maltodextrin (RMD) addition in the sensory attributes of pasteurized orange juice, together with the physico-chemical properties and the aromatic profile. RMD addition moderately improved almost all sensory attributes evaluated by panellists. It also proportionally increased °Brix together with density and decreased acidity. Colour changes were registered with higher RMD concentrations. Orange pulp presence affected the volume particle size distribution analysis while RMD addition did not exercised any effect. The aroma volatile compounds were also analysed. Pulp-added samples marked higher alcohol and aldehydes quantity, whereas pulp-free samples registered higher terpenes and terpenoids values. Ketones and acids were also quantified. RMD had a moderate impact on volatile compounds quantifications, playing the orange pulp presence a much more decisive role. A correlation analysis was also performed to relate instrumental and sensorial determinations for all samples. This work proves that the addition of RMD to orange juice is technologically feasible while also achieving a good response at the sensory level.

The question of molecular similarity is core in cheminformatics, and is usually assessed via a pairwise comparison based on vectors of properties or molecular fingerprints. We recently exploited variational autoencoders to embed 6M molecules in a chemical space, such that their (Euclidean) distance within the latent space so formed could be assessed within the framework of the entire molecular set. However, the standard objective function used did not seek to manipulate the latent space so as to cluster the molecules based on any perceived similarity. Using a set of some 160,000 molecules of biological relevance, we here bring together three modern elements of deep learning to create a novel and disentangled latent space, viz transformers, contrastive learning, and an embedded autoencoder. The effective dimensionality of the latent space was varied such that clear separation of individual types of molecules could be observed within individual dimensions of the latent space. The capacity of the network was such that many dimensions were not populated at all. As before, we assessed the utility of the representation by comparing clozapine with its near neighbours, and did the same for various antibiotics related to flucloxacillin. Transformers, especially when as here coupled with contrastive learning, effectively provide one-shot learning, and lead to a successful and disentangled representation of molecular latent spaces that at once uses the entire training set in their construction while allowing ‘similar’ molecules to cluster together in an effective and interpretable way.

This work aims to investigate the effect of catalyst content and reaction time by catalytic upgrading from pyrolysis vapors of residual fat at 450 °C and 1.0 atmosphere, on the yields of reaction products, physicochemical properties (density, kinematic viscosity, refractive index, and acid value) and chemical composition of organic liquid products (OLP), over a catalyst fixed bed reactor, in semi pilot scale. Pellets of Red Mud chemically activated with 1.0 M HCl were used as catalysts. The experiments were carried out at 450 °C and 1.0 atmosphere, using a process schema consisting of a thermal cracking reactor of 2.0 L coupled to a catalyst fixed bed reactor of 53 mL, without catalyst and using 5.0, 7.5, and 10.0% (wt.) Red Mud pellets activated with 1.0 M HCl, in batch mode. Samples of liquid phase products were withdrawn during the course of reaction at 40, 50, 60, 70 and 80 min in order to analyze the process kinetics. The physicochemical properties (density, kinematic viscosity, acid value, and refractive index) of OLP were determined by official methods. The chemical functions present in OLP determined by FT-IR and the chemical composition by GC-MS. The thermal catalytic cracking of residual fat show OLP yields from 54.4 to 84.88 (wt.%), aqueous phase yields between 2.21 and 2.80 (wt.%), solid phase yields (coke) between 1.30 and 8.60 (wt.%), and gas yields from 11.61 to 34.22 (wt.%). The yields of OLP increases with increasing catalyst content while those of aqueous, gaseous and solid phase decreases. For all the thermal and thermal catalytic cracking experiments, the density, kinematic viscosity, and acid value of OLP decreases with increasing reaction time. The GC-MS of liquid reaction products identified the presence of hydrocarbons (alkanes, alkenes, cycloalkanes, and aromatics) and oxygenates (carboxylic acids, ketones, esters, alcohols, and aldehydes). For all the thermal and thermal catalytic cracking experiments, the hydrocarbon content within OLP increases with reaction time, while those of oxygenates decrease, reaching concentrations of hydrocarbons up to 95.35% (area.). The best results for the physicochemical properties (density, kinematic viscosity, and acid value) and the maximum hydrocarbon content of OLP were obtained at 450 °C and 1.0 atmosphere, using a catalyst fixed bed reactor, with 5.0% (wt.) Red Mud pellets activated with 1.0 M HCl as catalyst.

Solving environmental odor issues can be confounded by many analytical, technological, and socioeconomic factors. Considerable know-how and technologies can fail to properly identify odorants responsible for the downwind nuisance odor and mitigate it for the affected citizenry. We propose enabling solutions to environmental odor issues by utilizing troubleshooting techniques developed for the food, beverage, and consumer products industries. We showed that the downwind odorant impact-priority ranking process can be definable and relatively simple. The initial challenge is the prioritization of environmental odor character from the perspective of the impacted citizenry downwind. In this research, we aim at summarizing three natural models of the rolling unmasking effect (RUE) and discuss them more systematically in the context of the proposed downwind environmental odor prioritization approach. Regardless of the size and reach of an odor source, a simplification of odor character and composition typically develops with downwind dilution. The extreme odor simplification-upon-dilution was demonstrated for two plant varieties, prairie verbena and Virginia pepperweed. Their downwind odor frontal boundaries were dominated by single, character-defining odorants; p-cresol-dominated ‘barnyard’ odor, and benzyl mercaptan-dominated ‘burnt match’ odor, respectively. The P.T. porcupine downwind odor frontal boundary was dominated by two potent, character-defining odorants: (1) ‘onion’/‘body odor’ odorant #1 and (2) ‘onion’/‘grilled’ odorant #2. In contrast with their downwind boundary simplicities, each odor source presented considerable compositional complexity and composite character difference near the source. The proposed RUE approach’s ultimate significance is the illustration of naturally occurring phenomena that explain why some environmental odors and their sources can be challenging to identify and mitigate using the analytical only approach (focused on compound identities and concentrations). These approaches rarely move beyond comprehensive lists of compounds being emitted by the source.

Proteins in biological systems function at the interface of single molecule and bulk chemistry and thus provide novel insights into the basic physical chemistry of scaling and emergent phenomena. For example, a binary mechanical model based on the chemistry of muscle contraction unifies molecular mechanics and thermodynamics and provides an explicit solution to the Gibbs paradox. Using the same model system, here I show that chemical activities of molecular states have no effect on chemical kinetics or energetics. Specifically, while the concentration or number of molecules in a molecular state is widely thought to contribute to reaction free energies, here I show that it is not the physical presence of molecules that pushes a reaction forward but the number of microstates, , accessible in a chemical state that pulls a reaction toward equilibrium with an entropic force down an entropic funnel. With the derivation of an entropic contribution to chemical kinetics, I develop a novel chemical kinetic formulation that fully describes the chemical thermodynamics of both equilibrium and non-equilibrium reactions in terms of an a priori system reaction energy landscape.

This study evaluated the exogenous application of PGRs substitute chemical fertilization without compromising the growth and yield of tomato in fluctuated day-night temperature and humidity stressed late winter. Two-factor experiment comprising chemical fertilizers at 100, 110, 90 and 80 % of recommended doses besides control and PGRs of GA3; NAA, 4-CPA and SA @ 50 ppm including control was conducted where treatments were assigned in triplicates. Results revealed no significant variation among the fertilizer doses (80% to 110% of recommendation) regarding growth and yield contributing traits while among the PGRs, GA3 @ 50 ppm produced maximum number of flower clusters plant-1 (16.85), flowers (8.80) and fruits (5.79) cluster-1, single fruit weight (67.83 g) and fruit yield (6.61 kg plant-1) of tomato that was statistically identical with the findings of SA. But significant reduction in yield was noted in NAA and 4-CPA (1.20 kg and 1.21 kg plant-1, respectively). Interestingly, GA3 and SA in combination with any doses of the studied fertilizers maximize the tomato morphological and reproductive traits while fertilizer plus NAA and 4-CPA interaction gave the inferior results. Further, correlation matrix and PCA findings revealed that five fertilizer doses have no distinctiveness whereas GA3 and SA has distinct position than other PGRs with the maximum dependent variables those were contributed positively in the total variations. The study findings suggested that 20% fertilizer requirement could be reduced with the substitution of GA3 and SA @ 50 ppm for successful cultivation of tomato in late winter having the extreme environmental issues.

Bisphenol A (BPA) has been identified as one of endocrine disrupting chemicals (EDCs). Due to its massive production (over 700,000 tons per year) and the extensive use of BPA-based plastics (i.e., polycarbonate and epoxy resin) in Taiwan, it was thus included into a toxic substance by the Ministry of Environment. This work surveyed the updated information about the production of BPA and its environmental distributions in Taiwan over the past decade. Furthermore, the regulatory strategies and countermeasures for managing the environmental risks of BPA by the Taiwan government were summarized to show the cross-ministerial efforts under the relevant acts, including the Toxic and Concerned Chemical Substances Control Act (TCCSCA), the Food Sanitation Management Act (FSMA) and the Commodity Inspection Act (CIA). The findings showed that most of the monitoring data showed far below the acceptable risks. However, the people may pose an adverse threat to the aquatic environment and human health via ecological and food chains. In addition, some countermeasures were further recommended to echo the international actions on environmental endocrine disruptors in recent years.

The RHAPS project was launched in 2019 with the major objective to identify specific properties of the fine atmospheric aerosol from combustion sources that are responsible for toxicological effects and can be used as new metrics for health-related outdoor pollution studies. In this paper, we present the overall methodology of RHAPS, and introduce the phenomenology and the first data observed. A comprehensive physico-chemical aerosol characterization has been achieved by means of high-time resolution measurements (e.g. number size distributions, refractory chemical components, elemental composition,) and low-time resolution analyses (e.g. oxidative potential, toxicological assays, chemical composition,…). Preliminary results show a high complexity in the relations observed, the link between air quality and toxicological endpoints being not obvious. We explore data from different points of view: source apportionment of PM1 and the role of source emissions on aerosol toxicity, the oxidative potential as a predictive variable for PM1 toxicity with focus on the secondary organic aerosol possessing redox-active capacity, exposure-response relationships for PM1, and air quality models to forecast PM1 toxicity. We provide a synthesis of results with the outlook to companion papers where data are analyzed in more detail.

Agriculture is the main economic activity of Mozambique and there is lack of information about the quality of agricultural soils. In this paper, five soils from the Manica and Sussudenga districts (Manica province) were sampled in the years 2021/2022 and 2022/2023 (before and after the rainy seasons), were subjected to an agronomical and environmental chemical analysis to assess its quality, either from the fertility and environmental contamination point of view. Standard analytical methodologies from external certified laboratories and local X-ray fluorescence measurements were used. All the studied soils are acidic (pH ranging from 4.5 and 5.4), have no salinity problems (conductivity ranging from 4.2 to 11.8 mS/m), have low amount of soil organic matter (0.90% to 1.81%), and soils from the Sussudenga district have a very low cation exchange capacity (CEC) (average of 3.33 cmolc/kg), while those from Manica district ranges from very low to average CEC (3.59 to 13.11 cmolc/kg). Also, Sussudenga soils have a phosphorous deficiency (values ranging from <20 to 38.5 mg/kg) and there are deficiencies and/or excesses of some macro and micronutrients in all soil samples. Manica soils are contaminated, apparently from geogenic origin, with Cr (280 to 1400 mg/kg), Co (80 mg/kg), Ni (78 to 680 mg/kg) and V (86 mg/kg). Agricultural soils monitoring must be fostered in Mozambique in order to improve food quality and quantity to assure economic and environmental sustainability.

We presents results obtained from the numerical simulation of the gas-phase chemical kinetics in atmospheric pressure air non-equilibrium plasmas. In particular we have addressed the effect of pulsed operation mode of a planar dielectric barrier discharge. As it was conjectured, the large difference in the time scales involved in the fast dissociation of molecules in plasmas and their subsequent reactions to produce stable chemical species, makes the presence of a continuously repeated plasma production stage unnecessary and a waste of electrical power and efficiency. Results on NOx remediation, ozone production, water vapor and ammonia dissociation are discussed. A few comparisons with experimental findings in a dielectric barrier discharge reactor already used for applications is briefly addressed too. Our results clearly indicate a pattern for the optimization of the discharge using a carefully designed repetition rate and duty-cycle.

The traditional processing of Dendrobium officinale (DO) is manufactured through five necessary processing steps: fresh strips, drying at 85 °C, curling, molding, and drying at 35 °C (Fengdou), and the antioxidant activity of DO were increased after processing into Fengdou. To comprehensively analyses the changing functional components, a plant-wide target metabolomics were employed. In total, 739 differential ingredients were identified in five processing treatments, mainly highlighting differences in variation with phenolic acids, flavonoids, lipids, and amino acids and their derivatives, and glycosylation of aglycone result in the up-regulation in flavonoid glycosides levels. Temperature is a key step in DO processing production. In addition, the main enrichment of specific differential ingredients was found in five different metabolic pathways, including glucosinolate biosynthesis, linoleic acid metabolism, flavonoid biosynthesis, phenylpropanoid biosynthesis, ubiquinone and other terpene quinone biosynthesis. Correlation analysis clarified that total phenols and flavonoids showed a significant positive correlation with antioxidant capacity. This study provides new insights into the influence of processing processes on DO quality, which may lead to guidance for the high-quality production of DO.

Strawberries (garden strawberries) belong to the most valuable berry crops and are an excellent dietary low-calorie product. This favorite berry is grown everywhere in Azerbaijan. The main objective of this study was a comparative study of 4 imported English strawberry cultivars Cupid, Fenella, Christine and Flamenco by productivity and its components, and on this basis, the selection of the most productive and adaptive. The study was conducted in a pilot production area (0.62 ha) of the Research Institute of Fruit and Tea Growing of the Ministry of Agriculture of the Azerbaijan Republic, which is located in the lowland part of the Guba district at an altitude of 400 m above sea level. Strawberry seedlings were planted on this site in the fall of 2020. The site was divided into paired rows repeated every 80 cm, and in each such pair the distance between the rows was 30 cm. The distance between the plants in each row was 15 cm. Mulching and drip irrigation were used as the main elements of the technology. When evaluating varieties by productivity in June 2022, when it reached its maximum level, the Fenella cultivar stood out. The productivity of this cultivar was 0.81 kg per bush or 40.2 tons per hectare. The same cultivar was distinguished by its large fruit (length 4.07 ± 0.42 cm, width 3.61 ± 0.55 cm, weight 20.96 ± 6.21 g), which indicates the prospect of its cultivation in the region.

The role of chemical communication in social relationships of birds is receiving growing attention but our knowledge is still scarce compared to other taxa. Previous evidence suggests that chemical cues emitted by birds may carry information about their characteristics that may be useful in a sexual selection context. However, experimental studies are needed to investigate the role of bird chemical cues in signalling quality of potential partners. We performed an experimental study aimed to disentangle whether female zebra finches, Taeniopygia guttata, use chemical cues to assess the body condition and body size of potential partners. We offered focal females the scent of two males differing in body condition and body size. Our results show that females can assess the body condition of potential partners using olfaction. However, contrary to expected in a mate choice context, our results show that females avoided the scent of the male with greater body condition and body size. Our results therefore suggest that, despite performing the study during breeding period, social interactions may be mediating the avoidance of the scent of the conspecific of the opposite sex with better body condition and body size in this gregarious species.

Graphene/silicon (Si) heterojunction photodetectors are widely studied in detecting of optical signals from near-infrared to visible light. However, performance of the graphene/Si photodetectors is limited by defects created in the growth process and surface recombination at the interface. Herein, a remote plasma-enhanced chemical vapor deposition is introduced to directly grow graphene nanowalls (GNWs) at a low power, which can effectively improve the growth rate and reduce defects. Moreover, hafnium oxide (HfO2) grown by atomic layer deposition has been employed as an interfacial layer for the GNWs/Si heterojunction photodetector. It is shown that the high-k dielectric layer of HfO₂ acts as an electron blocking and hole transport layer, which minimizes the recombination and reduces dark current. By optimizing the thickness of HfO₂, an extremely low dark current of 3.85×10^(-10) A with a responsivity of 0.19 AW^(-1), as well as a specific detectivity of 1.38×10^12 Jones at zero bias can be obtained for the fabricated GNWs/HfO₂/Si photodetector. This work demonstrates a universal strategy to fabricate high-performance graphene/Si photodetectors.

This paper presents the life cycle assessment results of a study of plastic recycling via hydrothermal upgrading (HTU), a chemical recycling technology. It was investigated due to its potential to address current gaps in the plastic recycling system, largely due to several plastic packaging materials and formats that cannot be processed by traditional mechanical recycling technologies (primarily due to technoeconomic reasons). As society transitions towards a net-zero-based circular economy, assessments should be conducted with a futuristic outlook, preventing costly mistakes by employing the right technologies in the right areas. HTU can generate up to 76% reduction in climate change impacts when compared with comparable end-of-life treatment technologies whilst conserving material with the system. Additionally, further reductions could be achieved by changes in electricity consumption within the study. This represents a new insight to chemical recycling of polymers by establishing a prospective life cycle assessment study that looks to introduce a step-change in the recycling system. By creating a transparent cut-off model with consistent allocation, it highlights the benefits of introducing this technology as opposed to the current model of disposal through incineration or landfill.

Light-addressable potentiometric sensor (LAPS) is an electrochemical sensor based on the field-effect principle of semiconductor. It is able to sense the change of Nernst potential on the sensor surface, and the measuring area can be controlled by the illumination. Due to the unique light-addressable ability of LAPS, the chemical imaging system constructed with LAPS can realize the two-dimensional image distribution detection of chemical/biomass. In this paper, the advantages of LAPS as sensing unit of microelectrochemical analysis system are summarized. Then, the greatest development of LAPS analysis system is explained and discussed. Especially, this paper focused on the research of ion diffusion, enzymatic reaction, microbial metabolism and droplet microfluidics by using LAPS analysis system. Finally, the development trends and prospects of LAPS analysis system are illustrated.

To investigate this suitability of Black Mustard (Brassica Nigra L.) and Camelina (Camelina Sativa L.) for pulp manufacturing the nitrate-alkaline method was used. The non-wood plants were characterized by chemical analysis, especially lignin, cellulose, ash, extractives and alpha-, beta-, gamma-cellulose. The pulp was cooked in 6% nitric acid and then underwent the extraction by 5% sodium-hydroxide and neutralized by 1% acetic acid. The cooked pulp was characterized by delignification degree – Kappa number. The laboratory sheets were made from this cooked pulp and they were characterized by tensile index, breaking length, smoothness and compared with commonly available papers.

A brief review of the history of the problem is intended to trace the progress in the development of scientific views on the structure of water. The discoveries in this area made in the first half of the last century are considered in comparison with modern data. It is shown that due to the de facto ban on the study of the structure of water in 1971, work in this direction was frozen for a long time. The paradox is that many forgotten truths have been independently "rediscovered" in our time, which speaks of their authenticity. On the basis of scientific literature and their own research, the authors come to the conclusion that water under room conditions is a microdispersed system, one phase of which is represented by continuous water, and the other - by polywater, discovered in the 70s of the last century.

Keenjhar Lake is the main source of drinking water for the metropolitan city of Karachi. The release of untreated wastewater from Kotri industrial area and other sources have made the lake water polluted. This study was subjected to determine the impacts of such pollutant sources on the water quality of Keenjhar Lake. The study involves the analysis of water quality parameters of Keenjhar Lake and its Feeding source (KB Feeder). The sampling sites were selected based on the sources of contamination. The water samples are tested for physical, chemical and microbiological parameters. The result of water analysis indicates the contamination level of the lake is quite alarming for the sites of Kotri effluent and WAPDA colony where Total Dissolved Solids (TDS), Chloride and other ionic metals were quite higher in concentration than other sites. These sites are also contaminated with Fluoride and Arsenic which are carcinogenic elements. The study reveals that the contamination level of feeding source is causing big non-reversible damage to the lake if continued to be uncontrolled. This contamination is mainly due to the release of toxic metals and ions in the KB feeder caused by human carelessness.

Palm fatty acid distillate (PFAD) is a by-product from the refining of crude palm oil. It comprises mainly of free fatty acids, having around 45% of palmitic and 33% oleic acids as the major components. Ultra-violet (UV) curable urethane acrylate (UA) oligomers could be synthesized from PFAD by the following procedure. A hydroxyl terminated macromer was first prepared by reacting PFAD with a mixture of isophthalic acid, phthalic anhydride, neopentagylcol (NPG) and pentaerythritol. The macromer is then reacted with 2-hydroxylethylacrylate (2HEA) and toluene diisocynate (TDI) to generate a resin containing acrylate side chains for UV curable application. A series of UA resins were prepared by using 15, 25, 45, 55 and 70% of PFAD respectively. The UA resin has Mw in the range of 3200 to 27,000. They could be cured by UV irradiation at intensity of 225mW/cm². Glass transition temperature (T_g) of the cured film was measured by differential scanning calorimeter (DSC), and hardness of the film was determined by pendulum hardness tester according to ASTM4366. The resins were used in wood coating application. All of the cured films showed good adhesion, hardness and chemical resistant for resins using up to 55% PFAD; however the resin at 70% did not cure properly.

The combination of increased pressures for high-volume, high-impact publications in English language with the high rejection rates of submitted manuscripts for publications presents an often unsurpassable obstacle for (early career) researchers. At the same, the register requirements of peer-reviewed journals -that can contribute to whether a paper is accepted for publication- has received little attention. This paper redresses this gap, by investigating the linguistic choices in 60 published manuscripts in four journals, with impact factor (IF) above 2; all 4 journals, publish original research papers in the field of chemical engineering science and specifically focus on wastewater treatment. Our survey shows that chemical engineering research publications tend to comply to a set of unwritten requirements: multidisciplinarity, brevity, co-authorship, focus on the description of practical results (rather than methods), and awareness of non-specialised audiences. It is found that less discipline-specific vocabulary was used in higher IF journals and this is interpreted within the current context of manuscript publication and consumption. Also, a complex relationship between the advertised scope of each journal and the actual published papers exists, indicating that guide for authors and aims and objective published by the journal's editorial office should be critically evaluated.

The water quality index (WQI) and irrigational index for groundwater were studied in the northeastern section of the Manipur Valley in northeast India. Water samples were collected in 2022 during the pre-monsoon season. To compute the water quality index for drinking water, the basic chemical parameters of total hardness, pH, electrical conductivity, total dissolved solids, Ca2+, Na+, Fe, Mg2+, Mn, Cl-, and HCO3, were used. The assessment of bacteriological quality is also done, which is crucial for overall water quality evaluation, alongside physical and chemical analyze. For determining irrigation suitability, irrigational indices such as sodium absorption ratio, sodium percentage, and magnesium hazard were calculated. WQI, %Na+, SAR, magnesium hazard, permeability Index and total hardness indicate that most water samples are harmless for irrigation and drinking purpose. They have affirmative relationships indicating that these characteristics are interdependent. Approximately 25% of the Piedmont zone groundwater is found to be unfit for agricultural and drinking usage. The encrustation of gypsum, halite, and evaporation into the Disang shares accelerate the dissolution of ions in Piedmont water, resulting in quality degradation. According to Gibbs plots, Durov Scatter Plot, and Hill Piper Trilinear Diagram of water dominated the rock-weathering process, while hydro chemical facies progressed from the beginning to the intermediate stage of Chadha's graphical representation illustrates the progression of hydro chemical processes in surface water. Therefore, proper integrated water resource management and development are required for effective water resource utilization, particularly around the Piedmont zone. To prevent a water crisis, groundwater resources must be managed sustainably. The current study also concentrated on a bibliometric examination of groundwater management and access to gauge the state of the field.

Among other species, Black Soldier Fly (Hermetia illucens, HI, Diptera, Stratiomydae) has the great potential as food and feed ingredient in the EU, particularly thanks to its preference for organic waste as growth substrate. The production of insects as livestock feed or as food ingredient requires a strict monitoring of heavy metal content in the growth substrate in order to secure its safe. This study aims to investigate the presence of toxic metals cadmium, lead, mercury, arsenic, and nickel in HI prepupae and their growth substrates based on coffee roasting by-product and microlagae Schizochytrium sp. and Isochrysis sp. Analyses were carried out via graphite furnace atomic absorption spectrophotometry for Cd, Pb, Ni, and As, and via Direct Mercury Analyzer for Hg. All metal concentrations found in growth substrates were below the legal limit of undesirable substances in animal feed (2002/32/EC). Metals concentrations in HI prepupae were in the range (mg kg-1 wet weight): Cd 0.072–0.084, Pb 0.018–0.026, Hg 0.010–0.032, As 0.036–0.047, Ni 0.18–0.76. HI prepupae accumulate Cd, Pb and Hg, but our results indicate that the risk of exposure to metals from consumption of HI prepupae is relatively low and in compliance with European Union regulations.

Background: Recurrent approximation of retention parameters in reversed-phase HPLC is effective for revealing anomalies difficult to detect otherwise, namely, the reversible hydration of analytes. This was demonstrated previously for restricted sets of analytes with acetonitrile–water eluents. Expanding the number of analytes and eluents seems to be a topical problem. Two kinds of derivatives of aromatic carbonyl compounds were characterized: unsubstituted hydrazones and oximes. Methods: If analyte demonstrates no anomalies in dependences of retention times vs. concentration of organic modifier, the recurrent approximations of these dependences are linear. To explain the features of recurrent approximations, the numerical experiments were proposed and considered. The artificial shifting of one, two, or more points allows modeling the different kinds of deviations of approximations from linearity. Results: It was shown that hydrazones are the class of analytes having no anomalies of retention parameters. On the contrary, several anomalies were detected for oximes. Downward deviations of points in the plots of recurrent approximations of retention times are the signs of reversible hydration. This effect for methanol–water eluents was detected for the first time. Some of oximes underwent hydrolysis. Conclusion: Recurrent approximation of retention times allows detecting chemical transformations of analytes during RP HPLC analysis.

This study investigates the potential of a hybrid nanofluid composed of MoS2 and ZnO nanoparticles dispersed in engine oil, aiming to enhance the properties of lubricant's chemical reaction with the Soret effect on stretching sheet under the influence of applied magnetic field. With the growing demand for efficient lubrication systems in various industrial applications, including automotive engines, the development of novel nanofluid-based lubricants presents a promising avenue for improving engine performance and longevity. However, the synergistic effects of hybrid nanoparticles in engine oil remain relatively unexplored. This research addresses this gap by examining the thermal conductivity, viscosity, and wear resistance of the hybrid nanofluid, shedding light on its potential as an advanced lubrication solution. By analyzing the dispersion stability and interaction mechanisms between nanoparticles and base oil, valuable insights are gained into the fundamental aspects governing the entertainment of hybrid nano lubricants. Overall, the objectives of studying hybrid nano lubricant MoS2+ZnO with engine oil aim to advance the development of more efficient and durable lubrication solutions for automotive engines, contributing to improved reliability, fuel efficiency, and environmental sustainability. Governing non-linear partial differential equations are simplified as ordinary differential equations by utilizing similarity variables. MATLAB Bvp4c technique is used to solve the obtained linear ODE equations. The outputs are presented through graphs and tables for various state variables. The comparative survey in all the graphs is presented for the nanofluid (MoS2/Engine oil) with the hybrid nanofluid (MoS2+ZnO/Engine oil). These graphs show the effect of various parameters M, Q, β, Pr, Ec, Sc, Sr, Kp, Kr and (hybrid nano lubricant parameter). The velocity profile diminished against the values of M, Kp, and β. Temperature profile rising with Ec and Q. reciprocally goes down to Pr. The concentration profile incremented with the value of Sr and decremented with the value of Sc, and Kr. With the increasing value of both f′ (η) and θ(η) increases. But in θ(η) hybrid nanofluid slows down with the higher value of .

Species of the genus Kalanchoe have a long history of therapeutic use in ethnomedicine linked to their remarkable healing properties. Several species have chemical and anatomical similarities, often leading to confusion when they are used in folk medicine. This review aims to provide an overview and discussion of the reported traditional uses, botanical aspects, chemical constituents, and pharmacological potential of the Kalanchoe species. Published scientific materials were collected from the PubMed and SciFinder databases without restriction regarding the year of publication through April 2023. Ethnopharmacological knowledge suggests that these species have been used to treat infections, inflammation, injuries, and other disorders. Typically, all parts of the plant are used for medicinal purposes either as crude extract or juice. Botanical evaluation can clarify species differentiation and can enable correct identification and validation of the scientific data. Flavonoids are the most common classes of secondary metabolites identified from Kalanchoe species and can be correlated with some biological studies (antioxidant, anti-inflammatory, and antimicrobial potential). This review summarizes several topics related to the Kalanchoe genus, supporting future studies regarding other unexplored research areas. The need to carry out further studies to confirm the popular uses and biological activities of bioactive compounds is also highlighted.

Nowadays, the study of preparing silica/rubber composites, which can be used in “green tire”, in energy saving method is fast-growing. In our work, silica modified by using alcohol polyoxyethylene ether (AEO) and 3-Mercaptopropyltriethoxysilane (K-MEPTS) together were investigated. Thermal gravimetric analyzer (TGA) result indicated that both AEO and K-MEPTS could be grafted on the silica surface. Raman spectroscopy confirmed that the AEO could generate a certain steric hindrance for the mercaptopropyl group on K-MEPTS. Silica modified by using AEO and K-MEPTS together can be completely co-coagulated with the rubber in preparing silica/natural rubber (NR) composites by latex compounding method. AEO can form a physical interface between silica and rubber; meanwhile, K-MEPTS can form a chemical interface between silica and rubber. The effects of chemical and physical interface between silica and rubber on dynamic and mechanical performances of silica/NR composites were also given in this research. A proper combination of physical and chemical interface between silica and NR can improve performances of silica/NR composites.

Different organisms, cell types, and even similar cell lines can dramatically differ in resistance to genotoxic stress. This testifies to the wide opportunities for genetic and epigenetic regulation of stress resistance. These opportunities could be used to increas the effectiveness of cancer therapy, develop new varieties of plants and animals, and search for new pharmacological targets to enhance human radioresistance, for example, for -manned deep space expeditions. Based on the comparison of transcriptomic studies in cancer cells, in this review we propose that there is a high diversity of genetic mechanisms of development of genotoxic stress resistance. This review focused onpossibilities and limitations of the proposed regulation of the resistance of normal cells whole organisms to genotoxic and oxidative stress by overexpressing of stress-response genes. Moreover, the existing experimental data on the effect of such overexpression on the resistance of cells and organisms to various genotoxic agents has been analyzed and systematized. We suggest that the recent advances in the development of multiplex and highly customizable gene overexpression technology that utilizes the mutant Cas9 protein and the wealth of available data on gene functions and their signal networks open new opportunities for research in this field.

One of the key pathogenetic links of type 2 diabetes mellitus (T2DM) is the formation of insulin resistance (IR). Besides a wide selection of synthetic antidiabetic drugs, various plant-origin extracts are also available to support the treatment of T2DM. This study aimed to investigate and gain knowledge of the chemical composition and potential IR correction effect of American cranberry (Vaccinium macrocarpon Aiton) leaf extracts and formulate novel 3D-printed oral dosage forms for such extracts. The bioactivity and IR of L-arginine-loaded cranberry leaf extracts were studied in vivo in rats. The cranberry leaf extracts consisted of quinic, 3-caffeoylquinic (chlorogenic), p-coumaroylquinic acids, quercetin 3-O-galactoside, quercetin-3-O-glucoside, quercetin-3-xyloside, quercetin-3-O-arabino-pyranoside, quercetin-3-O-arabinofuranoside, quercetin 3-O-rhamnoside and quercetin-O-p-coumaroyl-hexoside-2 identified by HPLC. In-vivo studies with rats showed that the oral administration of the cranberry leaf extracts had a positive effect on insulin sensitivity coefficients under ITT test, and affected HOMA-IR levels and liver lipid content with experimental IR. A novel 3D-printed immediate-release dosage form was developed for the oral administration of cranberry leaf extracts using polyethylene oxide (PEO) as a carrier gel in a semi-solid extrusion (SSE) 3D printing. In conclusion, American cranberry leaf extracts loaded with L-arginine could find uses in preventing health issues associated with IR.

This study aims to evaluate the effect of different drying methodologies (room, microwave, convective, oven and freeze-drying) on the chemical composition, the microbiological quality of extracts and the biological activities namely clotting milk and antioxidant activities for both spontaneous and cultivated Onopordum nervosum ssp. platylepis. The results showed that the drying methodology has significantly affected the phenolic composition. Freeze dried flowers showed the best amounts of total phenols, flavonoids and condensed tannins followed by the microwave dried flowers. However, the latest presented the lowest protein content. Finally, the biological activities were significantly dependent on the used drying process. The effective concentration EC50 values let to classify the samples according to their decreasing power to inhibit DPPH free radicals: dryer<oven<room <microwave<freeze-drying. The drying process significantly affected the clotting milk activity, freeze dried flowers showed the highest activity. All the obtained results do not reveal a significant difference between cultivated and spontaneous plants.

The New Zealand brushtail possum (Trichosurus vulpecula), introduced from Australia in the 1850s, is an invasive species that is widespread throughout New Zealand and forms the largest self-sustained reservoir of bovine tuberculosis (Mycobacterium bovis) in the wild. Conservation and agricultural authorities regularly apply a series of population control measures to suppress brushtail possum populations. The evolutionary consequence of more than half a century of intensive population control operations on the species genomic diversity and population structure is hindered by a paucity of available genomic resources for the species. This study is the first to characterise the functional content and diversity of brushtail possum liver and brain cerebral cortex transcriptomes. Raw sequences from hepatic cells and cerebral cortex were assembled into 58,001 and 64,735 transcripts in hepatic cells and cerebral cortex, respectively. Functional annotation and polymorphism assignment of the assembled transcripts demonstrated a considerable level of variation in the core metabolic pathways that represent potential targets for selection pressure exerted by chemical toxicants. This study suggests that the brushtail possum population in New Zealand harbours considerable levels of variation in metabolic pathways that could potentially promote the development of tolerance against chemical toxicants.

Many of engineering’s problems are about to optimise equations, functions and process models equations which appear on common or even complex science’s cases. Most applied optimisation methods nowadays can only be used on particular cases, so the main objective of this article is to define a computational method that can optimise or even find target values for specified objective functions and variables, by just using computer effort. Chemical plants involve many differential equations and they can be optimised with more facility now. On this paper, there are shown as example, an optimisation for a chemical reactor, which is found the optimal temperature and volumetric flow rate of feed, for the given objective function being the composition of the desired product. Named Domain’s Sweep, it is an algorithm that evaluate given(s) mathematical function(s) and/or equation(s) by varying your(s) independent variable(s) through loops with a given step size and solving it after closing the degrees of freedom, and finally, with some condition statements, store all the optimum values of given or created objective functions with its respective independent variables. In another words, the user create an objective function and this method find the function’s maximum, minimum or a certain chosen target value, even if it does not have an inflection point in the given search interval of the independent variables.

Olive orchards cover over 10 million hectares worldwide, with production techniques undergoing significant changes in the past three decades. The traditional rainfed approach, involving minimal inputs, has given way to irrigated super-intensive systems with higher planting density, in-creased productivity, greater use of fertilizers and phytopharmaceuticals, and total mechaniza-tion. Its impact on soil chemical properties remains a topic of great debate and no definitive consensus has been reached. Our main objective was to examine the different effects of traditional olive orchards and super-intensive ones on soil chemistry over a decade. We collected and ana-lyzed 1500 soil samples from an irrigation perimeter in southern Portugal in 2003 and 2013. Our findings indicate that compared to traditional olive orchards, super-intensive ones show, in a decade, a significant decrease in soil organic matter (less 22.8% - p<0.001) and an increase in so-dization (more 33.8% of Ext Na - p<0.001) highlighting the importance of monitoring this factor for soil fertility. In comparison to other irrigated crops in the region, super-intensive olive orchards promote a significant soil acidification (from 7.12 to 6.58), whereas the pH values of the other crops increase significantly (more 3.3%, 13.5%, 3.0% in corn, tomato and cereals, respectively). Mainly because organic matter levels decrease, soil acidification and soil sodization we can un-derline that hedgerow olive orchards can affect soil characteristics negatively when compared with traditional ones.

Using a wide range of organic substrates in the methane fermentation process enables efficient biogas production. Nonetheless, in many cases, the efficiency of electricity generation in biogas plant cogeneration systems is much lower than expected, close to the calorific value of the applied feedstock. This paper analyses energy conversion efficiency in a 1 MWel agricultural biogas plant fed with corn silage or vegetable waste and pig slurry as a feedstock dilution agent, depending on the season and availability. Biomass conversion studies were carried out for 12 months, during which substrate samples were taken once a month. The total primary energy in substrates was estimated in laboratory conditions by measuring the heat of combustion in a ballistic bomb calorimeter (17,760 MWh·year-1), and in the case of pig slurry, biochemical methane potential (BMP, (201.88±3.21 m3·Mg VS-1). Further, the substrates were analysed in terms of their chemical composition — from protein, sugar and fat content to mineral matter determination, among other things. The results obtained during the study were averaged. Based on such things as the amount of biogas produced at the plant, the amount of chemical (secondary) energy contained in methane as a product of biomass conversion (10,633 MWh·year-1) was calculated. Considering the results obtained from the analyses, as well as the calculated values of the relevant parameters, biomass conversion efficiency was determined as a ratio of chemical energy in methane to (primary) energy in substrates, which was 59.87%, as well as electricity production efficiency, as a ratio of electricity produced (4,913 MWh·year-1) to primary energy, with a 35% cogeneration system efficiency. Full energy conversion efficiency, related to electricity production, reached a low value of 27.66%. This article provides an insightful, unique analysis of energy conversion in an active biogas plant as an open thermodynamic system.

The materials used as corrosion inhibitors are [Zn-Al-Cl], [Mg-Al-Cl], [Ni-Fe-Cl], and [Co-Fe-Cl] layered double hydroxides (LDHs). They were synthesized by coprecipitation and characterized by X-ray diffraction (XRD), Fourier transforms infrared spectroscopy (FTIR), and thermal anal-yses. The efficiency of these corrosion inhibitors on mild steel in concentrated hydrochloric acid (18.5%) at 60°C (chemical pickling conditions of steel) was studied using electrochemical and gravimetric methods for different concentrations. The surface morphology and composition were examined by scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS), respectively. The inhibitory efficiency in the case of 1.2 g.L-1 LDH was found to be 83.33%, 83.65%, 68.38%, and 74.73% for [Ni- Fe-Cl], [Zn-Al-Cl], [Co-Fe-Cl], and [Mg-Al-Cl], respectively.

Panax ginseng C. A. Meyer (P. ginseng), has been widely used in traditional Chinese medicine (TCM). It contains a number of chemical components and possesses a variety of pharmacological activities. Alzheimer's disease (AD) is neurodegenerative disease that creates a huge burden on the lives and health of individuals. In recent years, studies have indicated that the chemical components of P. ginseng, especially ginsenosides, play a pronounced positive role in the prevention and treatment of neurological diseases. This review aimed to summarize currently studies on chemical components and the mechanisms action in AD intervention treatment of P. ginseng, especially ginsenosides. In this review, the components of P. ginseng and their respective active effects were first introduced. Then the key molecular mechanisms and signaling pathways of P. ginseng were introduced, and its different active ingredients in the prevention and treatment of Alzheimer's disease-related pathogenesis were also summarized from the pathogenesis of AD Aβ generation and aggregation, hyperphosphorylation of tau protein，oxidant stress，neuroinflammation，mitochondrial damage，disorder of neurotransmitter and gut microbiota. Signaling pathway networks related to the action of ginseng active ingredients was constructed, which could serve as a therapeutic target for Alzheimer's disease. In addition to a detailed report on P. ginseng in improving Alzheimer's disease-related pathogenesis, the application of the current technology, spatial metabonomics in AD therapeutics and diagnostics were later discussed. Spatial metabonomics could be applied to investigate the multi-target intervention of P. ginseng on Alzheimer's disease. Research perspectives for the study of P. ginseng in the treatment of Alzheimer's disease were provided for further studies.

Abstract: Estimating regional soils Nitrogen and phosphorus balance in cropland is essential to improve management practices, reduce environmental risks and develop sustainable agriculture. In this study,spatial and temporal variations in crop layout, the impact on soil N and P nutrient balance were assessed from 2000 to 2015 in the West Liaohe River Basin between 2000 and 2015. The result shows that the area of cropland is on the rise, and the spatial distribution of arable land is consistent with the distribution of the main tributaries of the West Liaohe River basin. The change in planting layout for maize and soybeans has a significant impact on the nutrient balance of farmland, which plays a critical role in modifying surplus nutrients. Nutrient surpluses on farmland were mostly concentrated in areas where maize planting layout changed between 2000 and 2015. The N nutrient surplus rate decreased by 39.3%, N utilization efficiency, increased by 70.7%; P nutrient surplus rate decreased by 3.8%, and P utilization efficiency increased by 49.3%. The average utilization efficiencies of N and P nutrients were 27.8% and 9.1%, respectively, and the utilization efficiency was low. Chemical manure is the main source of nutrients. The risk of phosphorus pollution was higher than the risk of nitrogen pollution in the West Liaohe River Basin. The lower Liaohe River Basin (below the Sujiapu) was the region with the most violent changes in nitrogen and phosphorus nutrient balance. It is recommended that reduce the amount of chemical fertilizer application, especially, reduce the amount of P application, improve the ef-ficiency of nutrient use, and focus on strengthening pollution control in key areas such as the West Liaohe River lower reaches basin (below Sujiabao), reducing the risk of agricultural nonpoint source pollution.

A multi-methodic analysis was performed on 5 samples of fly ashes coming from different biomasses. The aim of the study was to evaluate their possible re-use and their dangerousness for men and environment. Optical granulometric analyses indicate that the average diameter of the studied fly ashes is around 20 µm, whereas only ~1 vol% has diameter lower that 2.5 µm. The chemical composition, investigated with electron probe microanalysis, indicates that all the samples have a prevalent Ca composition, followed by Si and Al. A large content in K and P was observed in some samples, whereas the content in potentially toxic elements is always below the Italian law thresholds. Polycyclic aromatic hydrocarbons are completely absent in all the samples coming from combustion plants, whereas they are present in the fly ashes from the gasification center. Quantitative mineralogical content, determined by Rietveld analysis of X-ray powder diffraction data, indicates that all the samples have a large amorphous content, likely enriched in Ca, and several K and P minerals, such as sylvite and apatite. The results obtained from the performed chemo-mineralogical study allowed to point out that the biomass fly ashes could be interesting materials (1) as amending in clayey soils, in substitution to lime, to stimulating pozzolanic reaction and improve their geotechnical properties, on the one hand, avoiding to mine raw materials and, on the other hand, re-cycling wastes; (2) as agricultural fertilizes made by a new and ecological source of K and P.

The innovation of the new psychoactive substances (NPS) market requires the rapid identification of new substances that can be a risk to public health, in order to reduce the damage due to their use. Twelve seized products suspected to contain illicit substances were analyzed by attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), gas chromatography coupled to mass spectrometry (GC-MS), and nuclear magnetic resonance spectroscopy (NMR). Synthetic cathinones (SCat) were found in all products, either as a single component or in mixtures. Infrared spectra of all products were consistent with the molecular structure of SCat, showing an intense absorption band at 1700–1674 cm‐1, corresponding to the carbonyl stretching, a medium/strong peak at 1605-1580 cm-1, indicating stretching vibrations in the aromatic ring (C=C) and bands with relative low intensity at frequencies near 2700–2400 cm-1, corresponding to an amine salt. It was possible to identify a total of eight cathinone derivatives by GC-MS and NMR analysis: 4’-methyl-α-pyrrolidinohexanophenone (MPHP), α-pyrrolidinohexanophenone (α-PHP), 3-fluoromethcathinone (3-FMC), methedrone, methylone, buphedrone, N-ethylcathinone, and pentedrone. Among the adulterants found in these samples, caffeine was the most frequently detected substance, followed by ethylphenidate. These results highlight the prevalence of SCat in seized materials of the Portuguese market. Reference standards are usually required for confirmation, but when reference materials are not available, the combination of complementary techniques is fundamental for a rapid and an unequivocal identification of such substances.

Around the World, the number of compound databases of natural products in the public domain is rising. This is in line with the increasing synergistic combination of natural product research and chemoinformatics. Towards this global endeavor, countries in Latin America are assembling, curating, and analyzing the contents and diversity of natural products available in their geographical regions. In this manuscript we collect and analyze the efforts that countries in Latin America have made so far to build natural product databases. We further encourage the scientific community in particular in Latin America, to continue their efforts to building quality natural product databases and, whenever possible, to make them publicly accessible. It is proposed that all compound collections could be assembled into a unified resource called LANaPD: Latin America Natural Products Database. Opportunities and challenges to build, distribute, and maintain LANaPD are also discussed

A novel coronavirus, named 2019-nCoV, is responsible for current epidemic outbreaks in China and also other countries that cause acute pneumonia that was primarily linked to a seafood wholesale market in Wuhan, China. To control and prevent the existing epidemic outbreaks of coronavirus in China, a precise and easy disinfection/sterilization technique is important to disinfect/sterilize the mass-level peoples and their ambient environments (e.g. atmospheric air/aerosols). Among the disinfection techniques, control fire/flame (CF) could be applied. Large-size CF (LSCF) can be generated by using gas burner, gas cylinder that used in restaurant, coals, kerosene (petroleum), dried straws, dried woods) at entry and exit points of big gathering locations (e.g. hospital, airport, rail stations, seaports, apartments, streets/roads, etc. Additionally, small-size CF (SSCF) can be produced by using gas burner of kitchen, electric heater, kindle or waste papers at individual home and ward/room at hospital. Individual person can be soaked/immersed their hands and their belongings nearby CF for a moment, likely followed sterilization during quantification of the number of bacteria in experimental observation, that can rapidly sterilize the person perfectly. Correspondingly, the ambient air/aerosols moved towards CF due to water evaporation by fire that subsequently refresh all ambient air/aerosols by killing all viruses. Such CF could certainly reach the temperature higher than 56 degree C that could effectively disinfect/sterilize/kill the coronavirus. Therefore, CF could be effectively applied to control and prevent the epidemic outbreaks of coronavirus across China and worldwide.

Food preservatives are compound that are used for the treatment of food to improve the shelf life. In the food industry, is necessary to monitor all processes, for both safety and quality of the product. An electronic nose (or e-nose) is a biomimetic olfactory system that could find numerous industrial applications, including food quality control. Commercial electronic noses are based on sensor arrays composed by a combination of different sensors, which include conductometric metal oxide devices. Metal oxide nanowires are considered among the most promising materials for the fabrication of novel sensing devices, which can enhance the overall performances of e-noses in food applications. In the present work, is reported the fabrication of a novel sensor array based on SnO2, CuO and WO₃ nanowires deposited on top of commercial μHPs, provided by ams Sensor Solutions Germany GmbH. The array was tested for the discrimination of four typical compounds added to food products or used for their treatment to increase the shelf life: ethanol, acetone, nitrogen dioxide and ozone. Results are very promising: the sensors array was able to operate for long time consuming less than 50mW for each single sensor, and PCA analysis confirms that the device was able to discriminate between different compounds.

Electronic Nose (eNose) systems are particularly appreciated for their portability, usability, relative low cost and real-time or near real-time response. Their application finds space in several domains, including environmental monitoring. Within this field, marine monitoring is of particular scientific relevance due to the fragility of this specific environment, daily threatened by human activities that can potentially bring to catastrophic and irreversible consequences on marine wildlife. Under such considerations, a systematic review, complying with the PRISMA guidelines, was conducted covering the period up to October 15, 2018, in PubMed, ScienceDirect and Google Scholar. Despite the relatively low number of articles published on this specific topic and the heterogeneity of the technological approaches employed, the results obtained by the various groups highlight the positive contribution eNose has given and can provide in near future for the monitoring and safeguarding of this delicate environment.

We have studied the relative positions of the frontier levels determine the main electronic properties and reaction ability, there is important necessity to compare the MO of the purine and рyrimidine bases: adenine (A), guanine (G), cytosine (C), thymine (T) and uracil (U). The donor and acceptor properties are the fundamental characteristic of the conjugated molecules and can be quantitatively estimated by relative positions of the frontier molecular orbitals. The MO’s energies can be estimated experimentally or quantum-chemically. Analysis of the relative position of the frontier levels (calibrated by the energy gap) enables the investigation of the donor/acceptor properties of the RNA/DNA bases more detailed. The index φ0 is proposed for the quantitative quantum-chemical estimation of the donor ability of the conjugated molecules: it points on the shifting of the energy gap relative to the reference electron balanced system. The RNA/DNA bases divided strictly by two groups: predominantly donors (φ0 > 0.5) and predominantly acceptors (φ0 > 0.5). Each representative base of the first group forms the stable base pair the representative base of the second group the difference of indices Δφ0 should be optimal to enables the DNA replication.

The processes of the sublimation and thermal decomposition of the 1‐ethyl‐3‐methylimidazolium hexafluorophosphate ionic liquid (EMImPF6) were studied by a complex approach including Knudsen effusion mass spectrometry, IR and NMR spectroscopy, and quantum chemical calculations. It was established that the vapor over liquid phase primarily consists of decomposition products under equilibrium conditions. Otherwise, the neutral ion pairs are the only vapor components under Langmuir conditions. To identify the nature of the decomposition products an experiment on the distillation of the ionic liquid was performed and the collected distillate was analyzed. It was revealed by the IR and NMR spectroscopy that EMImPF6 decomposes to substituted imidazole‐2‐ylidene (C6N2H10PF5) and HF. The measured vapor pressure of C6N2H10PF5 reveals a very low activity of the decomposition products (&lt;10–4) in the liquid phase. The absence of significant accumulation of decomposition products in the condensed phase makes it possible to determine the enthalpy of sublimation of the ionic liquid assuming its unchanged activity. The thermodynamics of the EMImPF6 sublimation was studied by Knudsen effusion mass spectrometry. The formation enthalpy of EMImPF6 in ideal gas state was found from combination of the sublimation enthalpy and formation enthalpy of ionic liquid in the condensed state. The obtained value is in good agreement with those calculated by quantum chemical methods.

NiO-based nanomaterials have attracted a great deal of interest in view of various applications, that have stimulated the implementation of various synthetic approaches to control their chemico-physical properties as a function of the desired end-use. In this regard, their bottom-up preparation starting from suitable precursors plays an important role, but a molecular level in-sight into their reactivity remains an open challenge. In this study, we focus on the fragmentation of Ni(II) diketonate-diamine adducts, of interest as precursors for Ni(II) oxide systems, by com-bined electrospray ionization mass spectrometry (ESI-MS) with multiple collisional experiments (ESI-MSn) and theoretical calculations. The joint analyses revealed common features in the frag-mentation pattern of the target compounds: i) in the first-fragmentation, all three complexes form analogous base-peak cations by losing a negatively charged diketonate; in these cations, Ni-O and Ni-N interactions are stronger and the Ni positive charge is lower than in the neutral complexes; ii) the tendency of ligand electronic charge to migrate towards Ni further increases in the subsequent fragmentation processes, leading to the formation – in all three cases – of a tetracoordinated Ni environment involving an interesting cation-π intramolecular interaction.

This research assesses the classification of Arabic coffee into three primary variations (light, medium, and dark) using simulated data based on actual measurements of color information, antioxidant laboratory tests, and chemical composition tests. Two types of simulated data were generated, with the standard deviation of the measures varied. Multiple classifiers were used for classification. The findings demonstrate the use of color information in accurately distinguishing Arabic coffee types. The different CIE color values, as well as the excellent connection between color information and coffee classes, lead to flawless classification results. However, depending primarily on antioxidant information results in lower classification performance, with variability amongst classifiers due to increasing data complexity. Chemical composition information, on the other hand, possesses outstanding discriminatory strength, allowing faultless classification on its own. Certain characteristics, such as crude protein and crude fiber, show strong correlations and are critical in the classification of coffee types. Based on the findings, it is recommended to create a mobile application that uses image recognition to analyze coffee color while providing chemical composition information. End users, such as consumers, will be able to make informed judgments regarding their coffee preferences owing to this application.

This article addresses the problem of formation control of a quadrotor and one (or more) marine vehicles operating at the surface of the water with the end goal of encircling the boundary of a chemical spill, enabling such vehicles to carry and release chemical dispersants used during ocean cleanup missions to break-up oil molecules. Firstly, the mathematical models of the Medusa class of marine robots and quadrotor aircrafts are introduced, followed by the design of single vehicle motion controllers that allow these vehicles to follow a parameterized path individually using Lyapunov based techniques. At a second stage, a distributed controller using event triggered communications is introduced, enabling the vehicles to perform cooperative path following missions according to a pre-defined geometric formation. In the next step, a real time path planning algorithm is developed that makes use of a camera sensor, installed on-board the quadrotor. This sensor enables the detection in the image of which pixels encode parts of a chemical spill boundary and use them to generate and update in real time a set of smooth B-spline based paths for all the vehicles to follow cooperatively. The performance of the complete system is evaluated by resorting to 3-D simulation software, making it possible to simulate visually a chemical spill. Results from real water trials are also provided for parts of the system, where two Medusa vehicles are required to perform a static lawn-mowing path following mission cooperatively at the surface of the water.

The radiosensitivity of biological systems is strongly affected by the system oxygenation. On the nanoscopic scale and molecular level, this effect is considered to be strongly related to the indirect damage of radiation. Even though particle track radiolysis has been the object of several studies, still little is known about the nanoscopic impact of target oxygenation on the radical yields. We present here an extension of the chemical module of the Monte Carlo particle track structure code TRAX, taking into account the presence of dissolved molecular oxygen in the target material. The impact of the target oxygenation level on the chemical track evolution and the yields of all the relevant chemical species is studied in water under different irradiation conditions: different linear energy transfer (LET) values, different oxygenation levels, and different particle types. Especially for low LET radiation, a large production of two highly toxic species (HO₂^• and O₂^•− ), which are not produced in anoxic conditions, is predicted and quantified in oxygenated solutions. The remarkable correlation between the HO₂^• and O₂^•− production yield and the oxygen enhancement ratio observed in biological systems suggests a direct or indirect involvement of HO₂^• and O₂^•− in the oxygen sensitization effect. The results are in agreement with available experimental data and previous computational approaches. An analysis of the oxygen depletion rate in different radiation conditions is also reported.

In this paper, a distinction is first made between environmental, sustainable and green chemistry; the last two are then examined in relation to the more general problem of the environmental education. A brief historical digression on the STS (Science, Technology and Society) movement tries to dissect the reasons why chemistry is seen by the general public as a problem, not as a decisive resource for the realization of the ecological transition. Although sustainable and green chemistry can be decisive in overcoming the insularity of chemical disciplines in the high school, it fails to effectively embed itself in educational practices. Specific operational goals, supporting a real scientifical and technological literacy in sustainable and green chemistry, can help chemical educators. They are provided at the end of an examination of the founding axes of sustainable and green chemistry, according to the criteria of scientific and technological literacy.

The one-to-one structural correspondence between any conjugated hydrocarbon CnHm and the borane BnHm+n is extended here, with the B3LYP/cc-pVDZ model, to pure conjugated carbon systems with the example of buckminsterfullerene C60 with the corresponding icosahedral isoelectronic system closo-borane B60H60, and the fluorine substituted systems B60F30H30 and B60F60 , all with icosahedral Ih symmetry. All systems correspond to energy minima in the potential energy hypersurface, except for B60(F30)in(H30)out . Selected electronic structure methods are used to characterize all systems: molecular electrostatic potentials (MEP), atomic charges, bond orders, and topological properties of the electron density within quantum theory of atoms-in-molecules (QTAIM) and electron-localization function (ELF) theory. In the particular case of B60H60 we use the recently developed Hückeloid model to characterize this system. The stability of the energy minimum icosahedral structure B60F60 could have an origin in F···F attractive interactions of the inner fluorine atoms of the cage.

This work aims to investigate the influence of reaction time and catalyst-to-residual fat ratio by catalytic upgrading from pyrolysis vapors of residual fat at 400 °C and 1.0 atmosphere, on the yields of reaction products, physicochemical properties (density, kinematic viscosity, and acid value) and chemical composition of bio-oils, over a catalyst fixed bed reactor of activated carbon pellets impregnated with 10.0 M NaOH, in semi pilot scale. The experiments were carried out at 400 °C and 1.0 atmosphere, using a process schema consisting of a thermal cracking reactor of 2.0 L coupled to a catalyst fixed bed reactor of 53 mL, without catalyst and using 5.0, 7.5, and 10.0% (wt.) activated carbon pellets impregnated with 10.0 M NaOH, in batch mode. Samples of liquid phase products were withdrawn during the course of reaction at 50, 60, 70, 80, 90, 100 and 120 minutes in order to investigate the process kinetics. The physicochemical properties (density, kinematic viscosity, and acid value) of bio-oils were determined by official methods. The chemical composition of bio-oils determined by GC-MS. The thermal catalytic cracking of residual fat show bio-oils yields from 55.55 to 30.22 (wt.%), aqueous phase yields between 2.83 and 3.19 (wt.%), solid phase yields between 13.56 and 9.75 (wt.%), and gas yields from 27.89 to 55.60 (wt.%). The yields of bio-oil decreases from 74.41 to 30.22% (wt.) with increasing catalyst-to-Tallow kernel oil ratio, while that of gaseous phase increases from 12.87 to 55.60% (wt.). For all the thermal and thermal catalytic cracking experiments, the density, kinematic viscosity, and acid value of bio-oils decreases as the reaction time increases varying from 0.9266 to 0.8220 g/cm³, 8.10 to 2.24 mm²/s, and 144.14 to 2.37 mg KOH/g. The GC-MS of liquid reaction products identified the presence of hydrocarbons (alkanes, alkenes, ring-containing alkanes, ring-containing alkenes, and aromatics) and oxygenates (carboxylic acids, ketones, esters, alcohols, and aldehydes). For all the pyrolysis and catalytic cracking experiments, the hydrocarbon selectivity in bio-oil increases with increasing reaction time, while those of oxygenates decrease, reaching concentrations of hydrocarbons up to 95.35% (area.). The best results for the physicochemical properties density, kinematic viscosity, and acid value were 0.8220 g/cm³, 3.03 mm2/s, and 2.37 mg KOH/g, respectively, with a maximum hydrocarbon concentration of 97.194% (area.) and 2.806% ketones (area.) were obtained at 400 °C and 1.0 atmosphere, 80 minutes, without catalyst. For the catalytic cracking experiments, the maximum hydrocarbon content of 75.763% (area.) and 17.041% (area.) carboxylic acids, 4.702% (area.) ketones (area.), and 2.494% (area.) non-identified oxygenates was obtained at 400 °C and 1.0 atmosphere, 90 minutes, using a catalyst fixed bed reactor, with 10.0% (wt.) activated carbon pellets impregnated with 10.0 M NaOH as catalyst.

The 70/30 copper–nickel alloy is mainly used in critical parts with more demanding conditions in marine settings. There is a need for innovative methods that offer fast production and cost-effectiveness to supplement current copper–nickel alloy manufacturing processes. In this study, we employ wire-arc additive manufacturing (WAAM) to fabricate the 70/30 copper–nickel alloy. The as-built microstructure is characterized by columnar grains with prominent dendrites and chemical segregation in the inter-dendritic area. The aspect ratio of the columnar grain increases with increasing travel speed (TS) at the same wire feed speed (WFS). This is in contrast to an equiaxed grain structure with a more random orientation of conventional sample. The sample built with a WFS of 8 m/min, TS of 1000 mm/min, and a track distance of 3.85 mm exhibits superior corrosion properties in the 3.5 wt% NaCl solution compared to the conventional one, as evidenced by a higher film resistance and breakdown potential, along with a lower passive current density of the WAAM sample. The corrosion morphology reveals the critical roles played by the nickel element unevenly distributed between the dendrite core and inter-dendritic area.

In this work, an analytical and numerical analysis of the transition to chaos in five nonlinear systems of ordinary and partial differential equations, which are models of the autocatalytic chemical processes and the numbers of interacting populations, is carried out. It is analytically and numerically shown that in all considered systems of equations, further complication of the dynamics of solutions and the transition to chemical and biological turbulence is carried out in full accordance with the universal Feigenbaum-Sharkovsky-Magnitskii bifurcation theory through subharmonic and homoclinic cascades of bifurcations of stable limit cycles. In this case, irregular (chaotic) attractors in all cases are exclusively singular attractors in the sense of the FShM theory.

Due to the low content, few studies are focused on the essential oils (EOs) of Phlomoides rotata (Benth. ex Hook. f.) Mathiesen (syn. Lamiophlomis rotata (Benth.) Kudô. This plant has been used to treat rheumatic arthritis and grasserie in China. However, such EOs may have important pharmacological activities such as anti-cancer. To identify the chemical markers (CM) in the EOs and evaluate their antioxidant activities (AAs), we firstly conduct a thoroughly investigation on their chemicals and AAs, to the best of our knowledge. Light yellow EOs with fresh and elegant smell are obtained by hydro-distillation with average yield 0.11% (volume mL/weight g). The crystals are separated from the EOs through cryoprecipitation, respectively. A total of 81 components are qualified and quantified in the EOs, crystals and EOs removed crystals, in which 44 ones are first reported. As for content, the main compounds are long-chain fatty acids (FAs) and their esters. The most abundant one n-hexadecanoic acid (palmitic acid, PA) accounting for 43.15-54.8%, 58.49-64.57% and 15.9-41.1%, in the EOs, crystals and EOs removed crystals, respectively. Seven compounds including PA, tetradecanoic acid, linoleic acid, oleic acid, methyl hexadecanoate, hexahydrofarnesyl acetone and phytol can be chosen a the CMs in these EOs. The AAs are evaluated through in vitro assays. PA presents pro-oxidant activities in a concentration dependence manner. Usually, the EOs removed crystals demonstrate stronger AAs, and the crystals demonstrate weaker AAs compared with that of the corresponding EOs, which is related to the different content of PA in these samples. This study can give some hints for the utilization of such EOs which are abundant in FAs such as PA.

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

Hydrogels are water-absorbing polymers that can hydrate forage plants in the soil. The objec-tive was to evaluate the replacement of synthetic hydrogels derived from petroleum by biode-gradable hydrogels in Mombaça grass pastures (Megathyrsus maximum). The experimental treat-ments consisted of: No hydrogel (NH); Synthetic commercial hydrogel (CH), made from a syn-thetic polyacrylamide product; and Biodegradable test hydrogel (TH), obtained from cashew gum (Anacardium occidentale). The experimental design was randomized blocks with five replica-tions and three treatments. Morphogenesis, production, chemical and mineral composition of the Mombaça grass pasture were assessed. The data was subjected to analysis of variance and mean comparison by the Snott-Knott test at 5% probability. Leaf elongation rate was 42.3 mm day-1 in the TH treatment, which was higher (P<0.05) than NH (35.0 mm day-1). Green leaf mass yield was higher in TH in comparison to NH and CH. On the other hand, there was no effect of hydration on chemical composition. The mineral composition of Mombaça grass showed more Zn when TH was used. It can be concluded that biodegradable hydrogels can replace synthetic commercial hydrogels in pastures.

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.

In the last decades, consumers are increasingly interested in organic products and they strongly demand for reliability of the traceability of the organic products they use to buy and eat. Different researches have been carried out over the years to investigate on new and reliable systems to test the authenticity of products obtained using organic cultivation methods. The monitoring of some chemical components, derived from primary and/or secondary metabolism, in horticultural organic and conventional products, has highlighted the diversity induced by the two production techniques while the difference in fertilization practices has been shown to impact on the isotopic distribution of some elements, with particular reference to nitrogen. An integrated system is proposed to validate, through the acquisition of isotopic data and other chemical and biochemical parameters, the authenticity of organic products. This approach is intended to be coupled to the application of chemometric multivariate analysis of isotopic data combined with other quality and nutraceutical parameters, giving the possibility to discriminate organic from conventional products, thanks to the different isotopic signature impressed by the different nitrogenous source combined with the qualitative pattern of the crops, significantly affected by the different treatments. The main perspectives of the presented integrated approach, based on the combined use of chemometric and analytical tools, are linked to the feasibility of applying a reliable system to authenticate productions obtained with organic fertilizers (organic agriculture) respect to those obtained with the use of synthetic fertilizers (conventional agriculture), protect and valorize virtuous farmers and support political stakeholders and decision makers to counteract food fraud.

Honey bees (Apis mellifera L.) express complex behavioral patterns (aggressiveness) to exhibit defensive mechanisms for their survival. Their phenotypic expression of aggressive behavior is influenced by internal and external stimuli. Knowledge of this behavior is recently important though beekeepers are still faced with the challenges of selecting aggressive and less-aggressive bred lines. Field evaluation of aggressiveness among bred lines of honey bees is required to overcome the challenges. Chemical cues (alarm pheromone and isopentyl acetate mixed with paraffin oil), physical and visual stimuli (dark leather suede, colony marbling and suede jiggling) were used to evaluate aggressiveness and orientation among five bred lines of honeybee colonies. Our results showed that both chemical assays recruited bees but the time of recruitment was significantly lower for alarm pheromone. Honeybees’ response to both assays culminated to stings which differed among bred lines for alarm pheromone and paraffin when colonies were marbled. Honeybee aggression varied among bred lines and was higher in more aggressive bred lines compared to less-aggressive bred lines. Our findings suggest that it is crucial to repeatedly evaluate orientation aggressiveness at the colony level and among bred lines when selecting breeding colonies.

Microbial biofilms cause several environmental and industrial issues, even on the human health. Although they have represented a threaten due to their resistance to antibiotics, there are currently no approved antibiofilm agents for clinical treatments. The multi-functionality of antimicrobial peptides (AMPs) including the antibiofilm activity and their potentialities to target multiple mi-crobes motivated the synthesis of AMP relatives for developing antibiofilm agents for clinical purposes. Antibiofilm peptides (ABFPs) have been organized in databases that allowed the building of prediction tools which have assisted in the discovery/design of new antibiofilm agents. However, the complex network approach has been explored yet as an assistant tool for this aim. Herein, a kind of similarity networks, called the Half-Space Proximal Network (HSPN) is applied to represent/analyse the chemical space of the ABFPs aimed to identify promising scaf-folds for the development of next generation antimicrobials, able to target both planktonic and biofilm microbial forms. Such analyses also considered the metadata associated to the ABFPs such as origin, other activities, targets, etc. in which the relationships were projected by multilayer networks called metadata networks (METNs). From the complex networks mining, a reduced but informative set of 66 ABFPs representing the original antibiofilm space was extracted. This subset retained from the most central to atypical ABFPs, having some of them, desired properties for developing next generation antimicrobials. So, this subset is advisable for assisting the search/design both new antibiofilm/antimicrobial agents. The provided ABFP motifs list, dis-covered within the HSPN communities, is also useful for the same purpose.

Seasonal oscillations in the partial pressure of carbon dioxide (pCO2) in the Earth’s atmosphere stronger in northern latitudes are assumed to show that terrestrial photosynthesis exceeds respiration in summer reducing the pCO2, but increasing in winter when respiration exceeds photosynthesis. We disagree, proposing that variations in the temperature of the surface mixing zone of seawater also regulate the atmospheric pCO2, thermodynamically. We show that carbonate (CO32-) concentrations will therefore increase in summer with CaCO3 (calcite or aragonite) becoming less soluble, so calcium and carbonate ions are predicted to aggregate more while CO2 concentration falls in warmer seawater, thermodynamically favoring lower atmospheric pCO2. In winter, these physical processes are reversed, redissolving suspended calcite thus increasing carbonate alkalinity; carbonate concentration lessens as bicarbonate and soluble CO2 increase, raising the pCO2 in air. Our numerical computation shows that thermal fluctuations in equilibria favor absorption from air of more than one mole of CO2 per square meter in summer, coinciding with calcite formation maximizing in warmer water, potentially augmenting limestone reefs if there is a trend for increasing temperature . Another assumption we challenge is that upwelling from deeper water is the sole cause of increases in dissolved inorganic carbon (DIC) and alkalinity in surface waters, particularly in the southern hemisphere. Instead, calcite dissolution is favored as water temperature falls near the surface. It is well established that the seasonal summer decline in atmospheric CO2 coincides in fertile seawater with higher rates of biotic calcification and acidity, allowing increased CO2 capture by photosynthesis. However, its reversal in winter is proposed to be also a result of the cyclic dissolution of calcite as temperature falls, facilitated by biogenic respiration now exceeding photosynthesis; this can mutually provide the CO2 needed to convert carbonate ion alkalinity from calcite dissolution with bicarbonate increasing. Physical reasons why this oscillation is more obvious in the northern hemisphere include greater seasonal variations in water temperature (ca. 7.1 oC) being almost twice that in the cooler southern hemisphere (ca. 4.7 oC) and the greater depth of the surface mixing zone of seawater in the southern oceans. Evidence from 13CO2 fluxes between surface seawater and air is also assessed to test this hypothesis but questions remain regarding the regional rates of inorganic precipitation and dissolution of CaCO3 in the mixing zone. In summary, rapid biogenic calcification is favored by summer photosynthesis, but slower abiogenic calcification is more likely in warmer water.

Pseudomonas aeruginosa is a Gram-negative bacillus included among the six "ESKAPE" microbial species with an outstanding ability to "escape" currently used antibiotics and developing new antibiotics against it is of the highest priority. Whereas minimum inhibitory concentration (MIC) values against Pseudomonas aeruginosa have been used previously for QSAR model development, disk diffusion results (inhibition zones) have not been apparently used for this purpose in the literature, and we decided to explore their use in this sense. We developed multiple QSAR methods using several machine learning algorithms (Support vector classifier, K Nearest Neighbors, Random Forest Classifier, Decision Tree Classifier, AdaBoost Classifier, Logistic Regression, and Naive Bayes Classifier). The main descriptors used in building the models belonged to the families of adjacency matrix, constitutional descriptors, first highest eigenvalue of Burden matrix, centered Moreau-Broto autocorrelation, and averaged and centered Moreau-Broto autocorrelation descriptors. A total of 32 models were built, of which 28 were selected and stacked to create a meta-model. In terms of balanced accuracy, the best performance was provided by KNN, SVM and AdaBoost algorithms, but the ensemble method had slightly superior results in nested cross-validation.

Ga doped ZnO thin films were formed by the Ultrasonic Chemical Spray Pyrolysis method onto substrates using zinc acetate and gallium (III) nitrate hydrate as precursors. The structural, optical, surface and electrical properties were studied as a function of increasing Ga doping concentration from 0 to 6 at %. Structural studies were shown polycrystalline with a hexagonal crystal structure. The transparency in the visible range was around 85% for thin film deposited using 6 at % Ga doping. With the aim of determining surface images and surface roughness of the films atomic force microscope images were taken. Ga doping of ZnO thin films could markedly decrease surface roughness. Electrical resistivity was determined by four point method. The resistivity 2.0% Ga doped ZnO film was the lowest resistivity of 1.7 cm. In the photoluminescence measurements of the films, existence of UV and defect emission band was observed. As a result, Ga doped ZnO films have advanced properties and promising materials for solar cells.

Transparent electrodes (TEs) made of metallic nanowires, such as Ag, Au, Cu, and Ni, have attracted rising attention for several reasons: 1) they can act as a substitute for tin oxide-based TEs such as indium-tin oxide (ITO) and fluorine-doped tin oxide (FTO); 2) various methods exist for fabricating such TEs such as filtration, spraying and meyer bar coating; 3) greater compatibility with different substrates can be achieved due to the variety of fabrication methods; and 4) extra functions in addition to serving as electrodes, such as catalytic abilities, can be obtained due to the metals that compose the TEs. There are a large number of applications for TEs, ranging from electronics and sensors to biomedical devices. This short review is a summary of recent progress, mainly during the past five years, on silver nanowire-based TEs. The focus of the review will be on theory development, mechanical, chemical and thermal stability and optical properties. The many applications of TEs are outside the scope of this review.

This brief review highlights some current issues in Galactic stellar nucleosynthesis, and some recent laboratory studies by the Wisconsin atomic physics group that have direct application to stellar spectroscopy, in order to advance our understanding of the chemical evolution of our Galaxy. The relevant publication history of the lab studies are summarized, and investigations into the abundances of neutron-capture and iron-peak elements in low metallicity stars are described. Finally, new initatives in near-infrared spectroscopy are briefly explored.

Field experiments were carried out during 2011-2014 at the Research and Experimental Center to Combating Desertification located in the Elsen Tasarkhai station of central Mongolia. The study was aimed to identify the effects of oxidized brown coal humic acid fertilizer on the relative growth rate of several trees for forest rehabilitation. The trees used were Populus sibirica, Salix ledebouriana and Acer tataricum. The experiment was carried out with the concentrations of 2,000, 10,000 and 20,000 mg L-1 of humic acid fertilization treatments. The measurement of relative height growth rate (RHGR) was conducted for a period of 4 years. The treatments showed significant differences within humic fertilizer concentrations which differed depending on the species. Compared to the monthly RHGR over the study, the treatment of fertilizers were significantly better for tree growth. P. sibirica in the 10,000 and 20,000 mg L-1 humic acid fertilizers had significant height growth rates. In addition, when the humic acid treatments were compared to control, A. tataricum decreased over the years which were statistically significant for high growth rate and a positive effect of humic acid fertilization treatments was observed. Furthermore, results showed that oxidized brown coal humic acid fertilizers as organic fertilizer can have a positive effect for the growth of A. tataricum during the study years. The results showed that the soil chemical properties EC, CO2, NO3, and K2O were significant among all the treatments compared to the control. The effect on P2O5 statistically significantly increased among all the treatments. However, pH and Mg were not significant effect among all the treatments. Combining the results obtained from the oxidized brown coal humic acid fertilization with sustainable land management practices can help improve soil organics for environmental issues in degraded sandy soil regions.

Development and implementation of safe natural alternatives to synthetic pesticides are urgent needs that will provide ecological solutions for control of plant diseases, bacteria, viruses, nematodes, pests, and weeds, to ensure economic stability of the farmers and food security as well as protection of the environment and human health. Unambiguously, production of botanical pesticides will allow sustainable and efficient use of natural resources and finally decrease the use of chemical inputs and burden. This is underlined by the strict regulations on pesticide residues in agricultural products and harmonized with the Farm to Fork strategy aimed to reduce pesticide use by 55%, by 2030. Recognizing the urgent need for natural pesticides development, this work is an overview of the current research on the valorization of Mediterranean plants as potential source of biopesticides. More specifically, the extraction methods, the chemical composition, the biopesticidal activity, the commonly used assays for evaluating the antimicrobial, the pesticidal, the repellant and the herbicidal activity of plant extracts as well as toxicological and safety aspects of biopesticides formulation are discussed in detail. Finally, the aspects that have not yet been investigated or are under- investigated and future perspectives are highlighted.

Antimicrobial use (AMU) is one of the major drivers of emerging antimicrobial resistance (AMR). Surveillance of AMU, a pillar of AMR stewardship (AMS), helps devise strategies to mitigate AMR. This descriptive, longitudinal retrospective study quantified the trends in human antibiotic utilization between 2010 and 2016 using data on all antibiotics imported for systemic human use into Tanzania's mainland. Regression and time series analyses were used to establish trends in antibiotics use. A total of 12,073 records for antibiotics were retrieved, totaling 154.51Daily Defined Doses per 1,000 inhabitants per day (DID) with a mean (± standard deviation) of 22.07 (±48.85) DID. The private sector contributed 93.76%% of utilized antibiotics. The top-ranking antibiotics were amoxicillin, metronidazole, tetracycline, ciprofloxacin and cefalexin. The DDIs and percentage contribution of these antibiotics were 53.78 (34.81%), 23.86 (15.44), 20.53 (13.29), 9.27 (6.0) and 6.94 (4.49), respectively. The time series model predicted significant increase in utilization(p-value =0.002). The model forecasted that by 2022, the total antibiotics consumed would reach 89.6 DIDs, corresponding to a 13-fold increase compared to 2010. Government intervention to curb inappropriate antibiotic utilization to mitigate the rising threat of antibiotic resistance should focus on implementing AMS programs in pharmacies and hospitals in Tanzania.

Siliceous sandstones used in Khmer temples such as the Prasat Basset, Wat Ek Phnom, Phnom Banan temples in Battambang Province, Phnom Chisor and Ta Prohm temples in Ta Keo Province, and Wat Nokor Bachey temple in Kampong Cham Province in Cambodia were investigated in this study. Chemical composition analyses and magnetic susceptibility measurements were conducted for the sandstone blocks used in these temples. Siliceous sandstone is a primary construction material in all investigated temples. Two types of siliceous sandstone, pale brown and red, were found. Pale brown siliceous sandstone was used for the construction of all the investigated temples. In contrast, red siliceous sandstone was found only in the Wat Ek Phnom, Prasat Basset, and Phnom Banan temples. It is suggested that the pale brown siliceous sandstone originated from the Phra Wihan Formation within the Khorat Group. Based on the chemical composition analysis, the pale brown siliceous sandstone in the Ta Prohm temple at Tonle Bati and the Wat Nokor Bachey temple may have been sourced from the lower level of the Phra Wihan Formation. In contrast, the pale brown siliceous sandstone used in the Prasat Basset, Wat Ek Phnom, and Phnom Banan temples was likely sourced from the upper level. The origin of the red siliceous sandstone is proposed to be from the Sao Khua Formation, which is situated above the Phra Wihan Formation.

Transparent conducting oxides (TCO) with high electrical conductivity and at the same time high transparency in the visible spectrum are an important class of materials widely used in many devices requiring a transparent contact such as light-emitting diodes, solar cells and display screens. Since the improvement of electrical conductivity usually leads to degradation of optical transparency, a fine-tuning sample preparation process and a better understanding of the correlation between structural and transport properties is necessary for optimizing the properties of TCO for use in such devices. Here we report a structural and magnetotransport study of tin oxide (SnO₂), a well-known and commonly used TCO, prepared by a simple and relatively cheap Atmospheric Pressure Chemical Vapour Deposition (APCVD) method in the form of thin films deposited on soda-lime glass substrates. The thin films were deposited at two different temperatures (which were previously found to be close to optimum for our setup), 590 °C and 610 °C, and with (doped) or without (undoped) the addition of fluorine dopants. Scanning Electron Microscopy (SEM) and Grazing Incidence X-ray Diffraction (GIXRD) revealed the presence of inhomogeneity in the samples, on a bigger scale in form of grains (80–200 nm), and on a smaller scale in form of crystallites (10–25 nm). Charge carrier density and mobility extracted from DC resistivity and Hall effect measurements were in the ranges 1–3 × 10²⁰ cm⁻³ and 10–20 cm²/Vs, which are typical values for SnO₂ films, and show a negligible temperature dependence from room temperature down to -269 °C. Such behaviour is ascribed to grain boundary scattering, with the interior of the grains degenerately doped (i.e., the Fermi level is situated well above the conduction band minimum) and with negligible electrostatic barriers at the grain boundaries (due to high dopant concentration). The observed difference for factor 2 in mobility among the thin-film SnO₂ samples most likely arises due to the difference in the preferred orientation of crystallites (texture coefficient).

This paper presents the concept of a novel adaptable sensing solution currently being developed under the EU Commission founded PHOTONGATE project. This concept will allow to quantify multiple analytes of the same or different nature (chemicals, metals, bacteria, etc.) in a single test with levels of sensitivity and selectivity at/or over those offered by current solutions. PHOTONGATE relies on two core technologies: a bio-chemical technology (molecular gates) which will confer the specificity and, therefore, the capability to be adaptable to the analyte of interest, and which combined with porous substrates will increase the sensitivity, and a photonic technology based on Local Surface Plasmonic Resonance (LSPR) structures serves as transducer for light interaction. Both technologies are in the micron range, facilitating the integration of multiple sensors within a small area (mm²). The concept will be developed for its application in health diagnosis and food safety sectors. It is thought as an easy-to-use modular concept, which will consist of the sensing module, mainly of a microfluidics cartridge that will house the photonic sensor, and a platform for fluidic handling, optical interrogation, and signal processing. The platform will include a new optical concept, fully Europe Union Made, avoiding optical fibers and expensive optical components.

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).

Recently, polyacetylene (PA) is receiving a renewed scientific attention because of its unique properties potentially useful also for non-electrical applications (e.g., hydrogen storage, drug delivery, adsorbent of organic compounds in aqueous systems, gas and liquid separation, oxygen absorbent in gas analysis, etc.). Poly(vinyl alcohol) (PVOH) is a very common type of polymer, widely exploited in different technological areas, and it can be used as a precursor for the PA synthesis. Here, a new scheme for a large-scale chemical synthesis of PA, based on a simple and low-cost PVOH dehydration reaction by absolute sulfuric acid, has been developed. In this process, PVOH, shaped in form of film, is dipped in absolute sulfuric acid (i.e., H₂SO₄ at 95-97%) and, after complete chemical-dehydration at room temperature, it is mechanically removed from the liquid phase by using a plastic sieve. This reaction leads to a complete PVOH film conversion to PA as it has been proved by infrared spectroscopy (ATR-mode). Indeed, the ATR spectrum of the reaction product included all characteristic absorption bands of PA. To the best of our knowledge, this very easy and effective PA synthesis method based on the PVOH chemical-dehydration reaction by absolute sulfuric acid has never been described in the literature.

Environment pollution is one of the major problem that faces by our civilization . Textile industry is one of the factor for pollute the environment. In this study various causes that occurs by textile industry and pollute the environment will be shown and described. In textile industry for energy to run the factory various kind of fuel are used and in the industry there are many chemicals and dyes are used for the textile products. Plastic is one of the main substance for making the synthetic fabric. They pollute the air, water, soil and also they pollute the ecosystem of the various animals and destroy the ozone surface of the earth. For various kind of pollution that causes by textile industry the life of normal life hampered. They got ill and many time men and women lost their organs and sometimes they got attacked by various life taking illness.

The objective of this study was to investigate the liquefaction resistance of chemically improved sandy soils in a straightforward and accurate manner. Using only the existing experimental databases and artificial intelligence, the goal was to make predictions without conducting physical experiments. Emphasis was placed on the significance of data from 20 loading cycles of cyclic undrained triaxial tests to determine the liquefaction resistance and the contribution of each explanatory variable. Different combinations of explanatory variables were considered. Regarding the predictive model, it was observed that a case with the liquefaction resistance ratio as the dependent variable and other parameters as explanatory variables yielded favorable results. In terms of exploring combinations of explanatory variables, it was found advantageous to include all variables as doing so consistently resulted in a high coefficient of determination. The inclusion of the liquefaction resistance ratio in the training data was found to improve the predictive accuracy. In addition, the results obtained when using a linear model for the prediction suggested the potential to accurately predict the liquefaction resistance using historical data.

Stellatolides are natural compounds that have shown promising biological activities, including antitumor, antimicrobial, and anti-inflammatory properties, making them potential candidates for drug development. Chemical Reactivity Theory (CRT) is a branch of chemistry that explains and predicts the behavior of chemical reactions based on the electronic structure of molecules. Conceptual Density Functional Theory (CDFT) and Computational Peptidology (CP) are computational approaches used to study the behavior of atoms, molecules, and peptides. In this study, we present the results of our investigation of the chemical reactivity and ADMET properties of Stellatolides A-H using a novel computational approach called Conceptual DFT-based Computational Peptidology (CDFT-CP). Our study uses CDFT and CP to predict the reactivity and stability of molecules and to understand the behavior of peptides at the molecular level. We also predict the ADMET properties of the Stellatolides A-H to provide insight into their effectiveness, potential side effects, and optimal dosage and route of administration. This study sheds light on the potential of Stellatolides A-H as promising candidates for drug development and highlights the potential of CDFT-CP for the study of other natural compounds and peptides.

The ‘inverse problem’ of mass spectrometric molecular identification (‘given a mass spectrum, calculate/predict the 2D structure of the molecule whence it came’) is largely unsolved, and is especially acute in metabolomics where many small molecules remain unidentified. This is largely because the number of experimentally available electrospray mass spectra of small molecules is quite limited. However, the forward problem (‘calculate a small molecule’s likely fragmentation and hence at least some of its mass spectrum from its structure alone’) is much more tractable, because the strengths of different chemical bonds are roughly known. This kind of molecular identification problem may be cast as a language translation problem in which the source language is a list of high-resolution mass spectral peaks and the ‘translation’ a representation (for instance in SMILES) of the molecule. It is thus suitable for attack using the deep neural networks known as transformers. We here present MassGenie, a method that uses a transformer-based deep neural network, trained on ~6 million chemical structures with augmented SMILES encoding and their paired molecular fragments as generated in silico, explicitly including the protonated molecular ion. This architecture (containing some 400 million elements) is used to predict the structure of a molecule from the various fragments that may be expected to be observed when some of its bonds are broken. Despite being given essentially no detailed nor explicit rules about molecular fragmentation methods, isotope patterns, rearrangements, neutral losses, and the like, MassGenie learns the effective properties of the mass spectral fragment and valency space, and can generate candidate molecular structures that are very close or identical to those of the ‘true’ molecules. We also use VAE-Sim, a previously published variational autoencoder, to generate candidate molecules that are ‘similar’ to the top hit. In addition to using the ‘top hits’ directly, we can produce a rank order of these by ‘round-tripping’ candidate molecules and comparing them with the true molecules, where known. As a proof of principle, we confine ourselves to positive electrospray mass spectra from molecules with a molecular mass of 500Da or lower, including those in the last CASMI challenge (for which the results are known), getting 49/93 (53%) precisely correct. The transformer method, applied here for the first time to mass spectral interpretation, works extremely effectively both for mass spectra generated in silico and on experimentally obtained mass spectra from pure compounds. It seems to act as a Las Vegas algorithm, in that it either gives the correct answer or simply states that it cannot find one. The ability to create and to ‘learn’ millions of fragmentation patterns in silico, and therefrom generate candidate structures (that do not have to be in existing libraries) directly, thus opens up entirely the field of de novo small molecule structure prediction from experimental mass spectra.

The advancement in the production and usage of the cerium oxide nanoparticles have diverted the attention of scientists towards their usage in medical field and therapeutic usage. The clinical usage of these Nano ceria is based on their ability to moderate the oxidative stress and this is only because of their ability to change their valent state from +3 to +4 which makes them ideal for scavenging radicals for use in a number of systemic and neurodegenerative disorders. This review aims to synthesize the basic methods used for the synthesis of nanoparticles along with the use of ligand, stabilizing agent and other components. This review also concludes that how various physical and chemical properties of nanoparticles effect the basic biological activities such as antimicrobial activity, cytotoxicity and many others. However, during the standardization, some of the physiochemical properties, methods used for preparation and catalytic abilities must be taken into account.

Trachymene incisa subsp. incisa is an Australian endemic taxon that varies greatly in the abundance and length of the leaf trichomes. The essential oil composition of five populations of this subspecies, three corresponding to the typical glabrous form and two of the particularly hairy variant, has been analyzed in an attempt to determinate if that variability is also reflected in their composition. The oils have been extracted by hydrodistillation and analysed by Gas Chromatography (GC) and Gas Chromatography coupled to Mass Spectrometry (GC-MS). The essential oils of T. incisa subsp. incisa were characterized by the high amount of sesquiterpenes that were the major fraction. The sesquiterepene hydrocarbons were significantly higher in the hairy variant in comparison to the glabrous one. According to the main compound three different chemotypes were found: I.- -selinene + bicyclogermacrene and II.- -bisabolene + -pinene for the typical glabrous variant and III.- bicyclogermacrene + -caryophyllene for the hairy variant.

An elevated level of endoplasmic reticulum (ER) stress is considered an aggravating factor for inflammatory bowel disease (IBD). To develop an ER stress attenuator that is effective against colitis, 4-phenylbutyric acid (4-PBA), a chemical chaperone that alleviates ER stress, was conjugated with acidic amino acids to yield a 4-PBA-glutamic acid conjugate (PBA-GA) and a 4-PBA-aspartic acid conjugate (PBA-AA). The PBA derivatives were converted to 4-PBA in the cecal contents, where the conversion was greater with PBA-GA. After oral administration of PBA-GA (oral PBA-GA), millimolar levels of PBA were accumulated in the cecum, whereas 4-PBA was not detected in the blood, indicating the targeting of PBA-GA to the large intestine. At concentrations in the cecum achievable by oral PBA-GA, 4-PBA effectively attenuated ER stress in human colon epithelial cells. In 2,4-dinitrobenzenesulfonic acid-induced colitis in rats, oral PBA-GA alleviated the damage and inflammation in the colon. Moreover, oral PBA-GA substantially reduced the elevated levels of ER stress marker proteins in the inflamed colon. Moreover, PBA-GA was as effective as the currently used anti-IBD drug, sulfasalazine. In conclusion, PBA-GA is a colon-targeted prodrug of 4-PBA and is effective against rat colitis probably through the attenuation of ER stress in the inflamed colon.

This study compares the physico-chemical characteristics of three different types of biochar produced from biomass residues in Vietnam as a basis for optimising their application in water purification and soil fertilisation. Wood biochar (WBC), rice husk biochar (RBC), and bamboo biochar (BBC) were produced under limited oxygen conditions using equipment available locally in Vietnam, known as a Top-Lid Updraft Drum (TLUD). The resulting biochars were characterised using a suite of state-of-the-art methods to understand their morphology, surface chemistry and cation exchange capacity. Surface areas (measured by BET) for WBC and BBC were 479.34 m²/g and 434.53 m²/g, respectively, significantly higher than that of RBC which was only 3.29 m²/g. The morphology as shown in SEM images corresponds with the BET surface area, showing a smooth surface for RBC, a hollow surface for BBC, and a rough surface for WBC. All three biochars produced alkaline, with pH values around 10, and all have high carbon contents (47.95 - 82.1 %). Cation exchange capacity (CEC) was significantly different (p<0.05) among the biochars, being 26.70 cmol/kg for RBC, 20.7 cmol/kg for BBC, and 13.53 cmol/kg for WBC, which relates to the cations (Ca, Mg, K) and functional groups with negative charge (carboxyl, hydroxyl) present on the biochar surfaces. The highest contents of Ca, Mg and K in rice husk BC may explain its highest CEC values. Thus, although the biochars were produced by the same method, the various feedstocks lead to quite different physico-chemical properties. Ongoing work is linking these physico-chemical properties to the biochar efficiencies in terms of nitrate and ammonia capture capacities for use as fertilisers, and for adsorption of heavy metals (Zn, Cu) or water filtration, in order to design optimal biochar properties for specific applications.

The inherent value and use of hydrocarbon from waste plastics and solvents can be extended through open-loop chemical recycling as this process converts plastic to range of non-plastic materials. This process is enhanced by first creating plastic-solvent-combinations from multiple sources which are then streamlined through single process stream. We report on the relevant mechanics for streamlining industrially relevant polymers such as polystyrene (PS), polypropylene (PP), high-density polyethylene (HDPE) and acrylonitrile butadiene styrene (ABS) into chemical slurries mixed with various organic solvents such as toluene, xylene and cyclohexane. The miscibility of the polymer feedstock within the solvent was evaluated using the Relative Energy Difference method, and the dissolution process was evaluated using the “Molecular theories in a continuum framework” model. These models were used to design a batch process yielding 1 tonne/h slurry by setting appropriate assumptions including constant viscosity of solvents, disentanglement-controlled dissolution mechanism and linear increase of the dissolved polymer’s mass fraction over time. Solvent selection was found to be the most critical parameter for the dissolution process. The characteristics of the ideal solvent are high affinity to the desired polymer and low viscosity. This work serves as a universal technical guideline for open-loop chemical recycling of plastics avoiding the growth of waste plastic in a circular economy framework.

Laportea bulbifera (Sieb. et Zucc.) Wedd. (L. bulbifera) is a significant plant belonging to the Laportea genus. It has been traditionally used in ethnomedicine to treat various conditions such as rheumatic arthralgia, fractures, falling injuries, nephritis dropsy, limb numbness, pruritus, fatigue-induced internal imbalances, and irregular menstruation. Modern pharmacological studies have confirmed its therapeutic potential, as it exhibits anti-inflammatory, immunosuppressive, analgesic, and anti-rheumatoid arthritis properties. In order to gather in-depth information on L. bulbifera, a comprehensive literature search was conducted using databases such as Web of Science, PubMed, ProQuest, and CNKI. This review aims to provide a comprehensive understanding of L. bulbifera by covering various aspects, including ethnomedicinal uses, geographical distribution, botanical description, phytochemistry, pharmacology, and quality control. By doing so, this review intends to lay a strong foundation and propose new research avenues for the exploration and development of potential applications of L. bulbifera. Thus far, a total of 189 compounds have been isolated and identified from L. bulbifera. These compounds include flavonoids, phenolics, nitrogen compounds, steroids, terpenoids, coumarins, phenylpropanoids, fatty acids and their derivatives, and other compounds. Notably, flavonoids and fatty acids in L. bulbifera have demonstrated remarkable antioxidant and anti-inflammatory properties. Furthermore, these compounds show promising potential in activities such as analgesia, hypoglycemia, and hypolipidemia, as well as toxicity. Despite the extensive fundamental studies conducted on L. bulbifera, further research is still needed to enhance our understanding of its credible mechanism of action and improve its quality control. This necessitates more comprehensive investigations to explore the specific material basis, uncover new mechanisms of action, and refine the quality control methods related to L. bulbifera. By doing so, we could contribute to the further development and utilization of this plant.

Polycyclic aromatic hydrocarbons (PAHs) have emerged as promising materials for organic electronics, including organic photovoltaics (OPVs), organic field-effect transistors (OFETs), and organic light-emitting diodes (OLEDs). Particularly, non-hexagonal ring-fused PAHs are highly desirable due to their unique optoelectronic properties. Herein, a new redox-active azulene-perylene diimide triad 1 and its ring-fused counterpart, diazulenocoronene diimide 2, were synthesized and fully characterized by a combination of NMR, cyclic voltammetry, spectroelectrochemistry, and UV-visible absorption spectroscopy. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were performed to gain further insight into various electronic transitions. Interestingly, we found that the adaptive response to acids and bases manifests itself in a reversible two-color-change that can be attributed to changes in the chemical structures.

Modified structure along latent tracks and track formation process have been investigated in poly(allyl diglycol carbonate), PADC, which is well recognized as a sensitive etched track detector. This knowledge is essential to develop novel detectors with improved track registration property. The track structures of protons and heavy ions (He, C, Ne, Ar, Fe, Kr and Xe) have been examined by means of FT-IR spectrometry, covering the stopping power region between 1.2 to 12,000 eV/nm. Through a set of experiments on low-LET radiations – such as gamma ray -, multi-step damage process by electron hits was confirmed in the radiation-sensitive parts of the PADC repeat-unit. From this result, we unveiled for the first-time the layered structure in tracks, in relation with the number of secondary electrons. We also proved that etch pit was formed when at least two repeat-units were destroyed along the track radial direction. To evaluate the number of secondary electrons around tracks, a series of numerical simulations were performed with Geant4-DNA. Therefore, we are proposing new physical criterions to describe the detection thresholds. Futhermore, we propose a present issue of the definition of detection threshold for semi-relativistic C ions. And as a possible chemical criterion, formation density of hydroxyl group is suggested to express the response of PADC.

Evolutionary, sequence and structural analyses of tRNA variable (V) loops provides a new understanding. Type I tRNA V loops have a primordial length of 5 nt, and type II tRNA V loops have a primordial length of 14 nt. Sequence-based alignments of type I and type II V loops gave deceptive results. Type II V loops are characterized by the trajectory of the V arm, the size and sequence of the loop and the first and last V loop nucleotides and their known contacts. Depending on the V arm trajectory, type II V stems and loops can be interaction sites for aminoacyl-tRNA synthetases. So, type II V arms for tRNALeu, tRNASer and tRNATyr (found in Bacteria) were coevolved and selected to distinguish determinants to support cognate tRNA charging. The alignment of type I and type II V loops was adjusted based on tRNA evolution. Results are consistent with Archaea being an older and simpler life form than Bacteria. TRNAome sequences were derived from radiation of an ordered tRNAPri (Pri for primordial) sequence comprised of known RNA repeats and inverted repeats. V loop and tRNA sequences, therefore, convey a history of the primary successful pathway in the origin of life.

The aim of the study was to determine the effect of the application of different organic matter, UGmax soil conditioner and simplifications in potato cultivation on the content of dry matter, starch, sugars in tubers of the medium-early edible cultivar 'Satina' after harvest and after long-term storage. The highest dry matter (173.4 g kg-1) and starch (124.6 g kg-1 f. m.) content was ob-tained with the simultaneous application of a manure with soil conditioner at 100% mineral fer-tilization. In the case of sugars, the withdrawal of the soil conditioner from the crop proved most beneficial, for total sugars on the stubble intercrop (5.06 g kg-1 f. m.) and for reducing sug-ars (1.99 g kg-1 f. m.) on the straw. Each protection reduction applied resulted in a significant re-duction in starch content. In this regard, the withdrawal of herbicides with simultaneous appli-cation of manure and UGmax proved most beneficial. Long-term storage of tubers caused a sig-nificant reduction in their quality in terms of dry matter and starch content (average by -3.6 and -2.3%, respectively) and an increase in total and reducing sugars (average by 11.8 and 9.6%, re-spectively). The decrease in dry matter and starch content was significantly influenced by the 50% reduction in NPK fertilization applied during the growing season, while the application of soil conditioner with full protection contributed to the increase in reducing sugars after storage at 28.9 pts%. Our research is in line with current trends of used potato cultivation technologies focused mainly on environmental protection, so the results of this study can provide a basis for validation for researchers currently engaged in such evaluation.

Reactions of picolinamides with 1,3-propanesultone in methanol followed by the treatment with ketones led to a series of previously unknown chemical transformations, yielding first pyridinium salts (2a-f) with a protonated endocyclic nitrogen atom and then heterocyclic salts (3a-j) containing a 4-imidazoline ring. The structures of intermediate and final products were determined by IR and 1H, 13C NMR spectroscopy and X-ray study. The effects of the ketone and alcohol structures on the product yield were studied by quantum-chemical calculations. The stability of salts 3a-j towards hydrolysis and alcoholysis makes them excellent candidates for the search of new types of biologically active compounds.

This paper initiates the study of the mathematical aspects of the ad-hoc Lanzhou index. If G is a graph with the vertex set {x1,⋯,xn}, then the ad-hoc Lanzhou index of G is defined by Lz¯(G)=∑i=1ndi(n−1−di)2, where di represents the degree of the vertex xi. Several identities for the ad-hoc Lanzhou index, involving some existing topological indices are established. The problems of finding graphs with the extremum values of the ad-hoc Lanzhou index from the following sets of graphs are also attacked: (i) set of all connected ξ-cyclic graphs of a fixed order, (ii) set of all connected molecular ξ-cyclic graphs of a fixed order, (iii) set of all graphs of a fixed order, (iv) set of all connected molecular graphs of a fixed order.

This review delves into the significance of chemical communication in mammals, with an emphasis on the role of the vomeronasal system in sensing pheromone-mediated interactions. The vomeronasal system shapes a variety of social and sexual behaviors, including reproduction, hierarchy formation, maternal bonding, and species recognition. Intriguingly, this system presents a vast degree of evolutionary variability, more so than variations observed in the olfactory system. This adaptive diversity underscores the challenges in studying the vomeronasal system, emphasizing the need for detailed research into its neuroanatomy and functional morphology. This review traverses an array of topics central to our understanding of chemical communication in mammals. We begin with the foundational role and basic concepts of chemocommunication. This is followed by an in-depth exploration of the olfactory systems. Subsequently, the neuroanatomical underpinnings of the vomeronasal system are juxtaposed against those of the olfactory system. Our focus then shifts to an exhaustive study of the sensory element of the vomeronasal system, the vomeronasal organ, and the integrating center of this information, the accessory olfactory bulb. The discussion extends to secondary projections of both the olfactory and vomeronasal systems in the light of the dual olfactory hypothesis. The review culminates with a detailed look at four specific models of vomeronasal system organization belonging to four evolutionarily distinct mammalian families: rodents, marsupials, herpestids, and bovids. These have been meticulously analyzed by the authors, aiming to spotlight the significant morphofunctional differences stemming from the adaptive changes imprinted on the system.

Porous ferroelectric lead zirconate-titanate (PZT) films are a promising material for various electronics applications. This study focuses on understanding how structure-directing agent (polyvinylpyrrolidone) can change structure and electrical properties of porous PZT films prepared by chemical solution deposition. The films with various porosity up to ~ 40 vol.% and pore connectivity changing from 3-0 to 3-3 were prepared and studied by capacitance-voltage, dielectric hysteresis, transient current, photocurrent, and local current techniques. We have found that the linear decrease in the material volume in a porous film is not the only factor governing film properties. The key role in changing electrical properties plays the creation of new internal grain boundaries. This research expands the understanding of physical phenomena in porous ferroelectric films and may enable the development of new materials and devices.

This study scrutinizes the complexities of designing and exploring the potential energy surface (PES) of systems containing more than twenty atoms with planar tetracoordinate carbons (ptCs). To tackle this issue, we utilized an established design rule to design a Naphtho [1,2-b:4,3-b′:5,6-b′′:8,7-b′′′]tetrathiophene derivative computationally. This process began with substituting S atoms with CH– units, then replacing three sequential protons with two Si2+ units in the resultant polycyclic aromatic hydrocarbon polyanion. Despite not representing the global minimum, the newly designed Si8C22 system with four ptCs provided valuable insights into strategic design and PES exploration. Our results underscore the importance of employing adequate methodologies to confirm the stability of newly designed molecular structures containing planar hypercoordinate carbons.

Recently, there is a growing need for sensors that can operate autonomously, without the need for an external power source. This is especially important in applications where conventional power sources, such as batteries, are impractical or difficult to replace. Self-powered sensors have emerged as a promising solution to this challenge, offering a range of benefits such as low cost, high stability, and environmental friendliness. One of the most promising self-powered sensor technologies is L-S TENG, which stands for the liquid-solid triboelectric nanogenerator. This technology works by harnessing the mechanical energy generated by external stimuli such as pressure, touch, or vibration, and converting it into electrical energy that can be used to power sensors and other electronic devices. Therefore, self-powered based on L-S TENG, which provides numerous benefits such as rapidly responding, portability, cost-effectiveness, and miniaturization, is critical for increasing living standards and optimizing industrial processes. In this review paper, the working principle with three basic modes has been briefly introduced firstly. After that, affecting parameters to L-S TENG are reviewed based on the properties of the liquid and solid phases. With different working principles, L-S TENG has designed a lot of structure that works as a self-powered sensor for pressure/force change, liquid flow motion, concentration, and chemical detection or biochemical sensing. Moreover, the continuous output signal of TENG plays an important role in a real-time sensor that is vital to the growth of the Internet of Things.

The implications related to the fight against alien organisms often affect different sectors, from the economic to the landscape one or from the public health to the ecological one. This paper is an upgrade of our previous study focused on the evolution of the red palm weevil in a coastal urban area (central Italy); we investigate the evolution of this parasite in the following period (2013-2020), considering both the effectiveness of the chemicals used and their potential effects. With a multidisciplinary approach, on the one hand we carried out a spatio-temporal analysis to analyze the extent and mode of pest spread over time using historical aerial photos, freely available remote sensing images and field surveys, integrated in a GIS environment, and on the other hand we performed an assessment of the chemical risk associated with the substances used to protect the palms from the red weevil. The fight against weevil is now concentrated in specific areas (parks, relevant roads, villas, hotels, farmhouses, nurseries); the applied preventive chemical treatments are very effective in preserving the palms, but they show a toxic potential for all organisms. We discuss current local management of this pest focusing on the several aspects involve into the fight against this beetle in an urban area.

Weeds are a permanent component of anthropogenic ecosystems, which requires strict control to avoid the accumulation of their long–lasting seeds in the soil. With high crop infestation, many elements of crop production technologies (fertilization, productive varieties, growth stimulators, etc.) turn out to be practically meaningless due to high yield losses. Intensive use of chemical herbicides (CH) has led to undesirable consequences: contamination of soil and wastewater, accumulation of their residues in the crop, the emergence of CH-resistant populations of weeds. In this regard, the development of environmentally friendly CH with new mechanisms of action is relevant. Natural phytotoxins of plant or microbial origin may be directly explored in herbicidal formulations (biorational CH) or indirectly as scaffolds for nature-derived CH. This review considers: 1) the main current trends in the development of CH that may be important for enhancement of biorational herbicides; 2) advances in the development and practical application of natural compounds for weed control; 3) the use of phytotoxins as prototypes of synthetic herbicides. Some modern approaches such as computational methods of virtual screening and design herbicidal molecules, development of modern formulations, determination of molecular targets are stressed as important to make exploration of natural compounds more effective.

Reactive transport (RT) couples bio-geo-chemical reactions and transport. RT is important to understand numerous scientific questions and solve some engineering problems. RT is highly multidisciplinary, which hinders the development of a body of knowledge shared by RT modelers and developers. The goal of this paper is to review the basic conceptual issues shared by all RT problems, so as to facilitate advance along the current frontier: biochemical reactions. To this end, we review the basic equations to point that chemical systems are controlled by the set of equilibrium reactions, which are easy to model, but whose rate is controlled by mixing. Since mixing is not properly represented by the standard advection-dispersion equation (ADE), we conclude that this equation is poor for RT. This leads us to review alternative transport formulations, and the methods to solve RT problems using both the ADE and alternative equations. Since equilibrium is easy, difficulties arise for kinetic reactions, which is especially true for biochemistry, where numerous frontiers are open (how to represent microbial communities, impact of genomics, effect of biofilms on flow and transport, etc.). We conclude with the basic 10 issues that we consider fundamental for any conceptually sound RT effort.