Arabinoxylans (AXs) are non-starch polysaccharides with complex structures naturally occurring in grains (i.e., barley, corn, and others) providing many health benefits, especially as prebiotics. AXs can be classified as water-extractable (WEAX) and water-unextractable (WUAX) based on their solubility, with properties influenced by grain sources and extraction methods. A large body of evidence shows that AXs exert an im-portant health impact, including glucose and lipid metabolism regulation and immune system enhancement, which is induced by the interactions between AXs and the gut microbiota. Recent research underscores the dependence of AX physiological effects on structure, advocating for a deeper understanding of struc-ture-activity relationships. While systematic studies on WEAX are prevalent, knowledge gaps persist re-garding WUAX, despite its higher grain abundance. Thus, this review reports recent data on WUAX struc-tural properties (chemical structure, branching, MW) in cereals under different treatments. It discusses WUAX applications in baking and its benefits deriving from gut fermentation.

Chemical vapor deposition (CVD) is a vital process for depositing thin films of various materials with precise control over thickness, composition, and properties. Understanding the heat and mass transfer mechanisms during CVD is essential for optimizing process parameters and ensuring high-quality film deposition. This review provides an overview of recent advancements in the heat and mass transfer modeling for chemical vapor deposition processes. It explores innovative modeling techniques, recent research findings, emerging applications, and challenges in the field. Additionally, it discusses future directions and potential areas for further advancement in CVD modeling.

Introduction Urolithiasis, a prevalent urological condition (8-13% globally) exhibits regional variations, influenced by water quality, climate, health factors and diet. Sri Lanka with its tropical climate and dietary patterns is part of the "Stone Belt" of Asia. This study in Northern Sri Lanka examines urinary stone compositions and assesses the prevalence of metabolic disorders among urolithiasis patients. Methods This prospective cross-sectional study, conducted at tertiary urology centre from July 2022 to June 2023, focused on surgically treated urolithiasis patients. Institutional ethical clearance was obtained. Patient details and investigational findings were collected through questionnaires and data extraction forms. Stone analysis utilized Fourier transform infrared spectroscopy and detailed metabolic evaluation of 24 hour urine collection sample is carried out. Results This study followed 153 surgically treated urolithiasis patients, primarily male (64.3%), mean age 48.64. Ureteric colic (48.4%) was common, with kidney stones (45.8%) prevalent; 57.52% had recurrent stones. Diabetes mellitus (DM=23.5%) was the top comorbidity. Calcium oxalate monohydrate (COM) stones (78.4%) were most frequent, followed by uric acid (12.4%). COM predominated in 40-59 age group. No significant gender-stone type association. 86.9% had metabolic abnormalities, notably hypocitraturia (60.1%). 23% had both hypocitraturia and hypomagnesuria. Some metabolic disorders showed gender differences, with a marginal age-metabolic disorders association (p < 0.061). Urine oxalate levels were normal with higher variability in males. Conclusion Middle-aged males with urolithiasis commonly presented with ureteric colic and predominantly had calcium oxalate monohydrate stones. Recurrent stones were common, often accompanied by metabolic abnormalities such as hypocitraturia and hypomagnesuria, with diabetes mellitus as the primary comorbidity.

The expression of polysialic acid (polySia) on the neuronal cell adhesion molecule (NCAM), is called NCAM-polysialylation, which is strongly related to the migration and invasion of tumor cells and with aggressive in the clinic. Thus, it’s important to select a proper drug to block tumor cell migration for clinic treatment. In this study, we proposed that lactoferrin (LFcinB11) may be a more ideal candidate for inhibition of NCAM polysialylation comparing with CMP and low molecular weight heparin (LMWH), which were determined based on our NMR studies. On the other hand, because neutrophil extracellular traps (NET) is the most dramatic stage in cell death process, and NETs’ release are related to pathogenesis of autoimmune and inflammatory disorders, with proposed involvement in glomerulonephritis, chronic lung disease, sepsis and vascular disorders. In this study, the molecular mechanism of inhibition of NETs’ release using LFcinB11 as inhibitor was also determined. Based on these results, LFcinB11 is proposed to be bifunctional inhibitor for inhibiting both NCAM polysialylation and NETs releases.

Axial resolution is one of the most important characteristics of a microscope. In all microscopes, a high axial resolution is desired in order to discriminate information efficiently along the longitudinal direction. However, when studying thick samples that do not contain laterally overlapping information, a low axial resolution is desirable as information from multiple planes can be recorded simultaneously from a single camera shot instead of plane-by-plane mechanical refocusing. In this study, we increased the focal depth of an infrared microscope non-invasively by introducing a binary axicon fabricated on barium fluoride substrate close to the sample. Preliminary results of imaging thick and sparse silk fibers showed an improved focal depth with a slight decrease in lateral resolution and increase in background noise.

This analysis examines the wide range of occupational and environmental health risks that affect people in diverse settings. This article emphasizes the importance of conducting exposure and risk assessments to safeguard public health by analyzing various hazards, including arsenic, oil accidents, lead, welding fumes, and mycotoxins. Various methodologies are utilized in these research articles to conduct the study, emphasizing hazard identification, exposure assessment, and risk characterization. The results uncover harmful substances, vulnerable demographics, and occupational duties linked to increased hazards. The report suggests various mitigation strategies, such as targeted interventions, enhanced community efforts, and improved exposure estimates. Notwithstanding the constraints identified in certain studies, the review emphasizes the necessity for continuous investigation to improve assessments of exposure, comprehend the cumulative effects, and examine the wider societal consequences. The significance of sector-specific risk assessments, protective measures, and ongoing monitoring is underscored to ensure mental and physical health protection.

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.

Target pests of genetically engineered crops producing both defensive allelochemicals and Bacillus thuringiensis (Bt) toxins often sequentially or simultaneously uptake allelochemicals, Bt toxins, and/or insecticides. How the three types of toxins interact to kill pests remains underexplored. Here we investigated the interactions of Bt toxin Vip3A, plant allelochemical flavone, and insecticide emamectin benzoate in Spodoptera frugiperda. Simultaneous administration of flavone LC25 + Vip3A LC25, emamectin benzoate LC25 + Vip3A LC25, and flavone LC15 + emamectin benzoate LC15 + Vip3A LC15 but not flavone LC25 + emamectin LC25 yielded a mortality significantly higher than their expected additive mortality (EAM). One-day preexposure to one toxin at LC5 followed by 6-day exposure to the same toxin at LC5 plus another toxin at LC50 showed that the mortality of flavone LC5 + Vip3A LC50, emamectin benzoate LC5 + Vip3A LC50, and Vip3A LC5 + emamectin benzoate LC50, were significantly higher than their EAM, while that of flavone LC5 + emamectin benzoate LC50 was significantly lower than their EAM. No significant difference existed among the mortalities of Vip3A LC5 + flavone LC50, emamectin benzoate LC5 + flavone LC50, and their EAMs. The results suggest that the interactions of the three toxins are largely synergistic (inductive) or additive, depending on their combinations and doses.

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.

This study addresses the challenge of assessing the carcinogenic potential of hazardous chemical mixtures, such as PFAS, which are known to contribute significantly to cancer development. Here, we propose a novel framework called HNNMixCancer that utilizes a Hybrid Neural Network (HNN) integrated into a machine-learning framework. This framework incorporates a mathematical model to simulate chemical mixtures and enables the creation of classification models for binary and multiclass classification and regression. Through extensive experimentation, we demonstrate that our HNN model outperforms other methodologies, including Random Forest, Bootstrap Aggregating, Adaptive Boosting, Support Vector Regressor, Gradient Boosting, Kernel Ridge, Decision Tree with AdaBoost, and KNeighbors, achieving a superior accuracy of 92.7% in binary classification. To address the limited availability of experimental data and enrich the training data, we generate an assumption-based virtual library of chemical mixtures using a known carcinogenic and non-carcinogenic single chemical for all the classification models. Remarkably, in this case, all methods achieve accuracies exceeding 98% for binary classification. In external validation tests, our HNN method achieves the highest accuracy of 80.5%. Furthermore, in multiclass classification, the HNN demonstrates an overall accuracy of 96.3%, outperforming RF, Bagging, and AdaBoost, which achieved 91.4%, 91.7%, and 80.2%, respectively. In regression models, HNN, RF, SVR, GB, KR, DT with AdaBoost, and KN achieve average R2 values of 0.96, 0.90, 0.77, 0.94, 0.96, 0.96, and 0.97, respectively, showcasing their effectiveness in predicting the concentration at which a chemical mixture becomes carcinogenic. Our method exhibits exceptional predictive power in prioritizing carcinogenic chemical mixtures, even when relying on assumption-based mixtures. This capability is particularly valuable for toxicology studies that lack experimental data on the carcinogenicity and toxicity of chemical mixtures. To our knowledge, this study introduces the first method for predicting the carcinogenic potential of chemical mixtures. The HNNMixCancer framework offers a novel alternative for dose-dependent carcinogen prediction. Ongoing efforts involve implementing the HNN method to predict mixture toxicity and expanding the application of HNNMixCancer to include multi-mixtures.

A high perovskite activity is sought for use in magnetic applications. In this paper, we present the simple synthesis of (2.5 and 5%) Tellurium-impregnated-LaCoO3 (Te-LCO), Te and LaCoO3 (LCO) by using a ball mill, chemical reduction, and hydrothermal synthesis, respectively. We also explored the structure stability along with the magnetic properties of Te-LCO. Te has a rhombohedral crystal structure, whereas Te-LCO has a hexagonal crystal system. The reconstructed Te was imbued with LCO that was produced by hydrothermal synthesis; as the concentration of the imbuing agent grew, the material became magnetically preferred. According to the X-ray photoelectron spectra, the oxidation state of the cobaltite is one that is magnetically advantageous. As a result of the fact that the creation of oxygen-deficient perovskites has been shown to influence the mixed (Te4+/2-) valence state of the incorporated samples, it is abundantly obvious that this process is of utmost significance. The TEM image confirms the inclusion of Te in LCO. The samples start out in a paramagnetic state (LCO), but when Te is added to the mixture, the magnetic state shifts to a weak ferromagnetic one. It is at this point that hysteresis occurs due to the presence of Te. Despite being doped with Mn in our prior study, rhombohedral LCO retains its paramagnetic characteristic at room temperature (RT). As a result, the purpose of this study was to determine the impacts of RT field dependency of magnetization (M-H) for Te-impregnated LCO in order to improve the magnetic properties of RT because it is a low-cost material for advanced multi-functional and energy applications.

In the recent years, biochar has emerged as a remarkable biosourced material for addressing global environmental, agricultural, biomedical, and energy challenges. However, the performances of biochar rest in part on finely tuning its surface chemical properties, intended to obtain specific functionalities. In this review, we tackle surface treatment of biochar with silane and other coupling agents such as diazonium salts, titatantes, ionic/non-ionic surfactants, as well as nitrogen-containing (macro)molecules. We summarize the recent progress achieved mostly in the last five years, and correlate the nature and extent of functionalization to eye catchy end applications of the surface engineered biochar.

Background: The use of medicinal plants and their effective compounds as natural sources that have antioxidant properties, has been considered by researchers. Antioxidants are compounds that effectively inhibit the reaction of oxygen and nitrogen-free radicals with biomolecules in a variety of ways, reducing damage or preventing cell death, cardiovascular diseases, and cancers. Objective: In this study, chemical compounds of Adiantum capillus-veneris essential oil were used to evaluate its antioxidant and antimicrobial activity using water distillation and gas chromatography. Methods: The whole plant was dried at room temperature at 25 ° C and the distillation method with water with modifications was used using a Clevenger device for essential oil extraction. Gas chromatography-mass spectrometry (GC/MS) was used to identify the resulting essential oil compounds and the antioxidant and antibacterial activity of the essential oil was evaluated. Results: The most important chemical constituents of Adiantum capillus-veneris essential oil were carvone (33.00%), carvacrol (15.05%), hexadecanoic acid (7.02%), hexahydrofarnesyl acetone (4.25%) and n-nonanal (4.2%). The antibacterial activity of Adiantum capillus-veneris essential oils (mg/ml) was calculated and the highest antibacterial activity was determined by Staphylococcus aureus (8.23±1.07), Streptococcus pyogenes (12.46±1.62), and Diphtheroid (11.37±1.36) at a concentration of 100 mg/ml of essential oils. Conclusion: The results of the present study showed that the essential oil of Adiantum capillus-veneris prevented the growth of three pathogenic bacteria. This antibacterial property is due to the presence of flavonoid compounds in Adiantum capillus-veneris has the capacity for therapeutic and medical uses.

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.

The ubiquity of amino acids in carbonaceous meteorites has suggested that amino acids are widespread in the Universe, serving as a common class of components for the emergence of life. However, parameters for modeling amino acid polymerization at mineral–water interfaces remain limited, although the interfacial conditions inevitably exist on planets with surface liquid water. Here, we present a set of extended triple-layer model parameters for aspartate (Asp) and aspartyl-aspartate (AspAsp) adsorptions on ferrihydrite, anatase, and γ-alumina determined based on the experimental adsorption data. By combining the parameters with the reported thermodynamic constants for amino acid polymerization in water, the impacts of these minerals on Asp dimerization are calculable over a wide range of environmental conditions. It was predicted, for example, that ferrihydrite strongly increases the AspAsp/Asp equilibrium ratio in neutral to acidic pH; the ratio in the adsorbed state reaches 40% even from a low Asp concentration (0.1 mM) at pH 4. This percentage is approximately 5 × 107 times higher than that attainable without mineral (8.5 × 10–6%). Our exemplified approach enables us to screen wide environmental settings for abiotic peptide synthesis from a thermodynamic perspective, thereby narrowing down the geochemical situations to be explored for life’s origin on Earth and Earth-like habitable planets.

The CARA program has been developed since 2008 by the French reference laboratory for air quality monitoring (LCSQA) and the regional monitoring networks to gain a better knowledge at the national level on the particulate matter (PM) chemistry and its diverse origins in urban environments. It results of strong collaborations with international-level academic partners, allowing to bring state-of-the-art, straightforward and robust results and methodologies within operational air quality stakeholders (and subsequently, decision makers). Here, we illustrate some of the main outputs obtained over the last decade thanks to this program, regarding methodological aspects (both in terms of measurement techniques and data treatment procedures) as well as acquired knowledge on the predominant PM sources. Offline and online methods are used following well-suited quality assurance and quality control procedures, notably including inter-laboratory comparison exercises. Source apportionment studies are conducted using various receptor modeling approaches. Overall, the results presented herewith underline the major influences of residential wood burning (during the cold period) and road transport emissions (exhaust and non-exhaust ones, all along the year), as well as substantial contributions of mineral dust and primary biogenic particles (mostly during the warm period). Long-range transport phenomena, e.g., advection of secondary inorganic aerosols from the European continental sector and of Saharan dust into the French West Indies, are also discussed in this paper. Finally, we briefly address the use of stable isotope measurements (δ15N) and of various organic molecular markers for a better understanding of the origins of ammonium and of the different organic aerosol fractions, respectively.

This paper describes the state of the art and future opportunities for process design and sustainable development. In the Introduction the main global megatrends and European Union's response to two of them, the European Green Deal, are presented. The organization of professionals in the field, their conferences and publications support the two topics. A brief analysis of the published documents in the two most popular databases shows that the environmental dimension predominates, followed by an economic one, while the social pillar of sustainable development is undervalued. The main design tools for sustainability are described. As an important practical case, the European chemical and process industries are analyzed and their achievements in sustainable development are highlighted; in particular, their strategies are presented in more detail. The conclusions cover the most urgent future development areas of the process industries, carbon capture with utilization or storage, process analysis, simulation, synthesis and optimization tools; zero waste, circular economy and resource efficiency already play an important role. However, more profound changes are needed in the coming decades, including a shift away from growth with changes in habits, lifestyles and business models. Lifelong education for sustainable development will play a very important role in the growth of democracy and happiness instead of consumerism and neoliberalism.

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.

Edible coating gels developed from the Aloe vera plant have been used as a traditional medicine for about 3000 years. Aloe vera contains 110 potentially active constituents from six different classes: chromone and its glycoside derivatives; anthraquinone and its glycoside derivatives; flavonoids; phenylpropanoids and coumarins; phenylpyrone and phenol derivatives; and phytosterols and others. Apart from medicinal uses, Aloe gels have an important role in food preservation as edible coatings. They provide an edible barrier for atmospheric gases and moisture, and help to reduce the respiration and transpiration of fresh produce, which helps to preserve its postharvest quality. To date, numerous studies have been conducted on the postharvest use of Aloe vera gel. The present review article summarizes and discusses existing available information about the chemical constituents, antimicrobial activity, and food preservative characteristics of Aloe vera.

Background: Reducing the impact of malaria is a key to achieving the sustainable development goals which are geared towards eradicating the disease. The main objective of this study was to synthesize, determine the efficacy and safety of antiplasmodial hybrid drug comprising of sarcosine and aniline derivative for management of plasmodial infections. Results: The hybrid drug was synthesized by adding thionyl chloride to sarcosine in order to form acyl chloride which was then added to aniline to form sarcosine-aniline hybrid molecule. The IC50 of sarcosine-aniline hybrid was 44.80 ± 4.70 ng/ml compared to that of aniline derivative which was 22.86 ± 1.26 ng/ml. The IC50 of control drugs were 2.63 ± 0.38 ng/ml, 5.69 ± 0.39 ng/ml for artesunate and chloroquine respectively. There was a significant difference between IC50 of sarcosine-aniline hybrid and aniline derivative (P<0.05). There was also a significant difference between sarcosine-aniline hybrid and standard drugs used to treat malaria including artesunate and chloroquine (P<0.05). The ED50 of sarcosine-aniline hybrid drug was 6.49mg/kg compared to that of aniline derivative which was 3.61mg/kg. The ED50 of control drugs were 3.56 mg/kg, 2.94mg/kg and 1.78 mg/kg for artesunate-aniline hybrid, artesunate and chloroquine respectively. There was a significant difference (P<0.05) between ED50 of sarcosine-aniline hybrid and both controls such as aniline derivative, artesunate, artesunate-aniline hybrid and chloroquine. Cytotoxicity results revealed that sarcosine-aniline hybrid was safe to vero cells with a CC50 of 50.18±3.53µg/ml. Sarcosine-aniline hybrid was significantly less toxic compared to artesunate, chloroquine and doxorubicin. Sarcosine-aniline hybrid was also safe to mice. Conclusion: Therefore, covalent bitherapy should be used in drug development for drug resistance mitigation.

Heavy metals and organic pollutants are ubiquitous environmental pollutants affecting the quality of soil, water and air. Over the past 5 decades, many strategies have been developed for the remediation of polluted water. Strategies involving aquatic plant use are preferable to conventional methods. In this study, an attempt was made to provide a brief review on recent progresses in research and practical applications of phytoremediation for water resources with the following objectives: (1) to discuss the toxicity of toxic chemicals pollution in water to plant, animals and human health (2) to summarise the physicochemical factors affecting removal of toxic chemicals such as heavy metals and organic contaminants in aqueous solutions by aquatic plants; (3) to summarise and compare the removal rates of heavy metals and organic contaminants in aqueous solutions by diverse aquatic plants; and (4) to summarise chemometric models for testing aquatic plant performance. More than 20 aquatic plants specie have been used extensively while duckweed (L. minor), water hyacinth (Eichhornia crassipes), water lettuce (P. stratiotes) are the most common. Overall, chemometrics for performance assessment reported include: Growth rate (GR), Growth rate inhibition (% Inhibition), Metal uptake (MU), translocation/transfer factor (TF), bioconcentration factor (BCF), Percent metal uptake (% MU), Removal capacity (RC) and Tolerance index (TI) while absorption rate have been studied using the sorption kinetics and isotherms models such as pseudo-first-order (PFO), pseudo-second-order (PSO), Freundlich, Langmuir and Temkin. Using modeling and interpretation of adsorption isotherms for performance assessment is particularly good and increases level of accuracy obtained from adsorption processes of contaminant on plant. Conclusion was drawn by highlighting the gap in knowledge and suggesting key future areas of research for scientists and policymakers.

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.

Low temperature cofired ceramics (LTCC) have conquered a niche segment in biological microelectromechanical systems (BioMEMS) during the last two decades. Since 3-dimensional assembly and rapid prototyping capability are outstanding features of the technology, bioreactors with complex geometry can easily be produced. Particularly needed functions are working electrodes, e.g. for impedance measurements and reference electrodes consisting in platinum or silver-silver chloride. Although the distinct grainy surface of thick film materials influences the double layer properties, data describing the bioelectronic interface and biocompatibility of common thick film materials are rarely published up to now. This works aims to fill this gap by studying the surface properties, composition, electrochemical properties and biocompatibility of commercially available thick film materials. It was found that thick film gold is suitable as electrode material in direct cell contact since an appropriate proliferation of the cell culture was observed. Poly(3,4-ethylenedioxythiophene) coating decreases the absolute value of the zeta potential of thick film gold from 16.55 V to 11.78 mV without any change in vitality of the cells. Thick film platinum layers have a porous structure entailing an enlargement of the effective surface by a factor of 21.6 and can be used as reference instead of silver/silver chloride, which was identified to be incompatible with cell culture. The investigations show that some commercially available cost-effective thick film materials are compatible with cell culture and the here presented data give an orientation for the use of the same in LTCC bioreactors.

This study evaluated the physicochemical, mineralogical properties, mobile chemical species’ bioavailability and translocation in Brassica juncea and Spinacea oleracea L plants of a South African coal fired power utility. Coal fly ash (CFA) disposal is associated with various environmental and health risks including air, soil, surface and ground water pollution due to the leaching of toxic chemical species; these ends up in food webs affecting human health, while repeated inhalation causes bronchitis, silicosis, hair loss and lung cancer. The morphology, chemical, and mineralogical composition of CFA were determined using Scanning Electron Microscopy (SEM), X-ray fluorescence (XRF) and X-ray Diffraction, respectively. In pot culture experiments, S. oleracea L and B. juncea plants were grown in three sets of pots containing CFA (set 1), soil (set 2) and a mixture of CFA plus soil at ratio 1:1 (50% CFA: 50% soil) (set 3), while no plants were grown in set 4 as a control for the leachate samples. SEM showed that surface morphology of CFA has a lower degree of sphericity with irregular agglomerations of many particles. The XRF results revealed that CFA contains 43.65%, 22.68% and 10.89% of SiO₂, Al₂O₃ and Fe₂O₃ respectively which indicate that the CFA is an alumino-silicate material. While XRD showed that the coal CFA contains mullite as a major phase followed by quartz mineral phases. Chemical species such as Fe, Mn, B, Ba and Zn were accumulated highly in most parts of the plant species. However, B. juncea showed higher potential to accumulate chemical species as compared to S. oleracea L. The bioconcentration and translocation factors (BF and TF) showed that B. juncea was the most effective in terms of bioconcentration and translocation of most of the chemical species. This indicates that B. juncea has potential in application for phytoremediation of CFA dumps and could contribute to remediation of CFA dumps and reduction of potential health and environmental impacts associated with CFA.

Pharmaceuticals contain biologically active components that can pollute water courses as a result of the excretions from individuals and/or uncontrolled release of residues from chemical plants, and they can pose a hazard to health. Pharmaceutical residues can persist at low concentrations in the environment, and thus may be potentially harmful to aquatic animals and to humans. Controlling and monitoring such residues are therefore a prime interest, for example, a solid-phase extraction uses solid sorbents to purify and preconcentrate the residues prior to their chemical analysis. In the present study, poly (acrylonitrile-co-divinylbenzene-80) sorbents are synthesised by varying the comonomer feed ratios under precipitation polymerisation conditions to deliver a family of porous polymer microspheres. Acrylonitrile confers polar characters onto the sorbents, and the acrylonitrile-derived nitrile groups can be chemically transformed via polymer-analogous reactions into thioamide and sulfonated residues which make the sorbents even more suitable for the capture of polar analytes, including selected pharmaceuticals. The utility of the porous thioamide-sulfonated containing sorbents is demonstrated via the dispersion-solid phase extraction of mefenamic acid from aqueous media; mefenamic acid is an anthranilic acid derivative which is a potent, non-steroidal anti-inflammatory drug which is found in environmental waters at low concentrations.

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.

Polymer composites with high thermal conductivity have a great potential for applications in modern electronics due to their low cost, easy process, and stable physical and chemical properties. Nevertheless, most polymer composites commonly possess unsatisfactory thermal conductivity, primarily because of the high interfacial thermal resistance between inorganic fillers. Herein, we developed a novel method through silver functionalized graphene nanosheets (GNS) and multiwalled carbon nanotube (MWCNT) composites with excellent thermal properties to meet the requirements of thermal management. The effects of composites on interfacial structure and properties of the composites were identified, and the microstructures and properties of the composites were studied as a function of the volume fraction of fillers. An ultrahigh thermal conductivity of 12.3 W/mK for polymer matrix composites was obtained, which is an approximate enhancement of 69.1 times compared to the polyvinyl alcohol (PVA) matrix. Moreover, these composites showed more competitive thermal conductivities compared to untreated fillers/PVA composites applied to the desktop central processing unit, making these composites a high-performance alternative to be used for thermal management.

Bioconvective flows have attracted attention in recent years due to actual and potential applications. In this paper, we consider a steady and laminar convective MHD flow of a nanofluid with heat, mass and microorganism transfer with a heat source/sink present. In addition, we assume there exists a first order chemical reaction. The governing partial differential equations (PDEs) are reduced to ordinary differential equations (ODEs) using the scaling group transformation and the associated boundary value problem is then solved. The influences of selected governing parameters on the dimensionless velocity, temperature, nanoparticle concentration, density of motile microorganisms, skin friction, heat transfer, mass transfer, and motile microorganism density rates are computed and discussed

In some cases, the human impact on ancient landscapes has been so profound that local soils still remain significantly affected even after hundreds and thousands of years after ending impact. We studied the Late Bronze Age Muradymovo settlement located in Urals, Russia, aiming to estimate the consequences of the ancient people activity for environment. Despite the present humid climate, the modern soils inside the cultural layer of the study site contain more than 27% of gypsum at a depth of just 10 cm from the surface, and a microrelief of the study site is typical of a gypsum desert. The nearby background Chernozems are gypsum-free to a depth of 2 meters. According to the archaeological data, the ancient people belonged to the ‘Srubno-Alakul’ archaeological culture (1750–1350 yrs BC cal) and had a tradition of building their houses from gypsum rocks. At the present time, this area is still unsuitable for human settlement. The properties of modern soils inside the cultural layer of the study site are directly affected by the Late Bronze Age human activities. It has been identified on soil morphology, micromorphology and chemical properties of soils developed inside the cultural layer of the settlement.

A simple model has been used to investigate the nature of chemical order in Na-Pb and Na-Hg liquid binary alloy at 700K and 673K respectively. The energy parameter obtained from the model was used to calculate the concentration dependent mixing properties such as Gibb’s free energy of mixing, Concentration fluctuations in the long wavelength limit and the Warren-Cowley chemical short range order parameter. Results obtained showed that both alloys are hetero-coordinated throughout the entire concentration and there is tendency for segregation and demixing to take place in the liquid alloys. We observed that Na-Hg liquid alloy is more strongly interacting binary alloy and chemically ordered than Na-Pb liquid alloy.

Tea (Camellia sinenesis) is a health beneficial beverage and is also a source for extracting bioactive components such as theanine, tea polyphenols (TPP) and tea polysaccharides (TPS). TPS is a group of hetero-polysaccharides bounded with proteins. There were tests showing that TPS had various bioactivities, such as antioxidant, antitumors, antihyperglycemia, anti-inflammation and improving immunity. However, inconsistent results concerning chemical composition and bioactivity of TPS were published in recent years. The advances in chemical composition and bioactivities of TPS were reviewed in the present paper. The inconsistent and controversial results regarding composition and bioactivities of TPS were also discussed.

Polyhydroxyalkanoates (PHAs) are a family of polyesters produced by many microbial species. These naturally occurring polymers are widely used in tissue engineering because of their in vivo degradability and excellent biocompatibility. The most well-studied among them is poly(3-hydroxybutyrate) (PHB) and its copolymer with 3-hydroxyvaleric acid (PHBV). Despite their superior properties, PHB and PHBV suffer from high crystallinity, poor mechanical properties, slow resorption rate, and inherent hydrophobicity. Not only PHB and PHBV are hydrophobic, but almost all members of the PHA family struggle because of this characteristic. One can overcome the limitations of microbial polyesters by modifying their bulk or surface chemical composition. Therefore, researchers have put much effort into developing the methods for chemical modification of PHAs. This paper reviews the chemical modification methods of PHAs that make them more suitable for scaffold fabrication. Different chemical strategies for improving the wettability and mechanical properties of the PHA scaffolds are discussed in this review. Emphasis is placed on the methods used to modify the chemical structure of PHB and PHBV, the most important polymers of the PHA family. The properties of PHAs that are important for their applications in tissue engineering are also discussed.

Efflorescence is a major concern in alkali-activated materials (AAMs), affecting their potential practical applications and challenging the preservation of the material in a time-frozen state for post-characterisation purposes. Efflorescence is a time-dependent phenomenon that may stop with complete water removal. Therefore, this study mixed chemically and physically different secondary raw (slag, fly ash, glass wool, and rock wool) and nonwaste (metakaolin) materials with Na-silicate solution in ratios that facilitated efflorescence and mixtures that could prevent it. The material was cured at 40 °C for 6 days. On the 7th day, half of the intact samples were additionally treated with low-power microwaves (2.45 GHz at 100 W) until complete dehydration to rapidly and gently influence the chemical reaction. The impact of microwave-irradiation-induced dehydration on the specimens was thoroughly examined on day 7, both chemically and physically, and compared with that of a set of samples that were not subjected to dehydration. Chemical alterations were examined using Fourier transform infrared spectroscopy, which revealed the removal of water. Further, X-ray diffraction revealed no changes in crystallinity upon irradiation. The irradiation-increased porosity was evaluated through Mercury Intrusion Porosimetry, whereas the mechanical resilience of the materials was evaluated through compressive strength tests and synchronised with the porosity development. Pores in the irradiated samples that required higher temperatures or longer curing times (glass wool, fly ash, and metakaolin) were spherical; otherwise, dehydration resulted in elongated cracks. This result provided side knowledge on the determination of finalisation of the curing of AAM, which cannot be determined by any surface-penetrating test. Efflorescence formation was evaluated on 1-year-old dehydrated samples, maintained at room temperature, before and after exposure to a water droplet using a low-vacuum scanning electron microscope. This explained the reason why the surface of AAMs exposed to water became slippery and the effect of the water droplet on the surface. The microwave treatment method successfully accomplished the complete dehydration of AAMs within a few minutes, effectively inhibiting reactions in the AAMs, terminating further development of the aluminosilicate network, and partially removing unbonded alkali elements from the chemically unfinished AAM system. Therefore, microwave irradiation can be used to evaluate the chemical compositions of time-evolving materials during dehydration. If the dehydrated samples are stored in a waterless environment, post-characterisation of the AAMs is possible at any later time. The procedure of stopping the reactions offers significant advantages over conventional techniques which require physical processing, such as grinding or milling, the use of solvents, and more time.

In the context of smart agriculture, accurately estimating plant leaf chemical parameters is crucial for optimizing crop management and improving agricultural yield. Hyperspectral imaging, with its ability to capture detailed spectral information across various wavelengths, has emerged as a powerful tool in this regard. However, the complex and high-dimensional nature of hyperspectral data poses significant challenges in extracting meaningful features for precise estimation. To address this challenge, this study proposes an end-to-end estimation network for multiple chemical parameters of Astragalus leaves based on attention mechanism (AM) and multivariate hyperspectral features (AM-MHENet). We leveraging HybridSN and multilayer perception (MLP) to extract prominent features from the hyperspectral data of Astragalus membranaceus var. mongholicus (AMM) leaves and stems, as well as the surface and deep soil surrounding AMM roots. This methodology allows us to capture the most significant characteristics present in these hyperspectral data with high precision. The AM is subsequently used to assign weights and integrate the hyperspectral features extracted from different parts of the AMM. The MLP is then employed to simultaneously estimate the chlorophyll content (CC) and nitrogen content (NC) of AMM leaves. Compared with estimation networks that utilize only hyperspectral data from AMM leaves as input, our proposed end-to-end AM-MHENet demonstrates superior estimation performance. Specifically, AM-MHENet achieves an R2 of 0.983 with an RMSE of 0.73 for the estimation of CC in AMM leaves. For NC estimation, AM-MHENet achieves an R2 value of 0.977 with an RMSE of 0.27. These results underscore AM-MHENet’s effectiveness in significantly enhancing the accuracy of both CC and NC estimation in AMM leaves. Moreover, these findings indirectly suggest a strong correlation between the development of AMM leaves and stems, as well as the surface and deep soil surrounding the roots of AMM, and directly highlight the ability of AM to effectively focus on the relevant spectral features within the hyperspectral data. This findings from this study could offer valuable insights into the simultaneous estimation of multiple chemical parameters in plants, thereby making a contribution to the existing body of research in this field.

Hydrogen and carbon monoxide over-equilibria have been found computationally in kinetic dependencies of methane reforming catalytic reactions (steam and dry reforming) using conditions of the conservatively perturbed equilibrium (CPE) phenomenon, i.e. at the initial equilibrium concentration of hydrogen or carbon monoxide.  The influence of pressure, temperature, flow rate and composition of the initial mixture on the position of the CPE point (the extremum point) was investigated in a wide domain of parameters. It is demonstrated that the CPE phenomenon significantly increases the product concentration (H2 and CO) at the reactor length which is significantly less than the reactor length required to reach the equilibrium. The CPE-point was interpreted as the “turning point” in kinetic behavior.  Recommendations on the temperature and pressure regimes are different from the traditional ones related to the Le Chatelier’s law. Obtained results provide valuable information on optimal reaction conditions for complex reversible chemical transformations, offering potential applications in chemical engineering processes.

Abstract:The ecological protection of cultivated land is crucial for advancing high-quality agricultural development. This study analyzes the impact of agricultural socialization services on the ecological conservation of farmland, focusing on the reduction of chemical fertilizers and pesticides among rice farmers in the Jianghan Plain area. Utilizing data from 743 farmer household surveys conducted in 2023, the findings reveal that agricultural socialization services significantly encourage farmers to reduce chemical input usage. Specifically, a 1% increase in the level of agricultural socialization services correlates with a 14% decrease in chemical fertilizers and a 16.4% decrease in pesticides per mu. The study identifies scale operation, factor substitution, and alleviation of capital constraints as mediating factors enhancing the efficacy of these services. Furthermore, heterogeneity analysis indicates that these services are more effective in reducing chemical inputs among large-scale and newer-generation farmers compared to their small-scale and older counterparts. Additionally, technology-intensive socialized services exhibit a stronger impact on reducing chemical inputs than labor-intensive services.

The major issue of raw materials depletion and more specifically of phosphorous (an important fertilizer) has currently become an emergent aspect, due to expected depletion problems, needing immediate handling. This was the reason for the implementation of PhoReSe project that aimed to remove and recover phosphorus from the secondary (biologically treated) effluent of a municipal wastewater treatment plant (WWTP “AINEIA”, located near Thessaloniki, N. Greece), treating the wastewaters of the nearby touristic area. Regarding the phosphorous supplementary removal and recovery treatment options, two methods mainly examined, initially in laboratory scale (batch experiments), i.e. (1) the adsorption of phosphorous, and (2) the chemical precipitation of phosphorus. Both methods further applied in pilot-scale, by performing initially the adsorption of phosphorous onto the AquAsZero commercial sorbent, which is a mixed manganese iron oxy-hydroxide, followed by the chemical precipitation of phosphorous, implemented after the de-sorption process of previously saturated adsorbent. The final precipitate of this procedure examined as an alternative/supplementary fertilizer, returning with this way phosphorus into the natural cycle. These experiments, as applied successfully in pilot-scale, set the basis for the larger-scale relevant application for similar WWTP facilities.

In this paper, the mechanism of combined process of ion beam sputtering (IBS) and HF acid etching on the chemical structure defects of fused silica and its laser damage resistance perfor-mance were investigated. During the removal process of surface material, the sputtering effect causes lattice atoms to detach from their original positions, forming a large number of unsaturated structures on silica surface, which improves the chemical activity of Si and O atoms, accelerates the chemical reaction process between surface atoms and water molecules, increases the content of hydroxyl (OH-) groups in the shallow layer, and enhances the photothermal weak absorption intensity. However, the presence of OH- groups reduces the bonding strength of Si-O, destroys the spatial network structure of silica bulk, and reduces the mechanical strength of silica surface, resulting in a decrease in its laser damage resistance performance. The paper reveals for the first time the mechanism of IBS to change the structure characteristics of silica material, accelerate the surface hydroxylation process, and thereby reduces the laser damage resistance performance. This work provides technical guidance for effectively suppressing chemical structure defects on silica surface and improving laser damage resistance performance of optical components under high-flux laser irradiation.

Chemical flooding methods are used to recover the remaining oil after water flooding, and surfactant-polymer (SP) flooding is an important chemical flooding technology. It is of great significance to design and screen high-performance oil displacement agents in order to overcome the increasingly challenging high temperature (&gt;70 ℃) and high salinity (>10,000 mg/L) reservoirs. Based on the characteristics of high temperature (70 ℃) and high salinity (151,000 mg/L) in the Qinghai Gasi reservoir, the performance of the SP flooding system was studied. This study considered interfacial tension, emulsification, viscosity, compatibility, and oil displacement efficiency. The selected formula demonstrated high resistance to both salinity (151,000 mg/L) and temperature (70 ℃), characterized by a low oil-water interfacial tension (10-2 mN/m) and high viscosity (18.13 mPa.s). After water flooding achieved an oil recovery rate of 64.64%, the subsequent replacement rate of crude oil increased by 26.95%, confirming that SP flooding can be used as a technology for enhancing oil recovery in high-temperature, high-salinity reservoirs represented by Qinghai Gasi reservoirs.

Organic fertilizer application in agricultural land is known to improve soil microbial processes, fertility, and yield. In particular, stable changes in soil chemical composition through multi-year fertilization of organic fertilizers are thought to cause changes in the microbial community. Here, the effects of oil cake amendments (OC) on soil bacterial diversity, community profile and enzyme activity were evaluated and compared to those amended with chemical fertilizer (NPK). The comparison of diversity indices between OC and NPK amended soils shows that application of oil cake has increased microbial diversity potentially with an increase in the number of different microbial groups. The ordination plot distinguished and clustered both treatments showing differential effects of soils chemical factors on the microbial communities of each treatment. Proteobacteria, Verrucomicrobia and Bacteriodetes were significantly abundant in OC amended soil than in the NPK received soil, indicating alterations in community structure, composition, and diversity con-current to the changes in pH, Ca and Mg contents of the soil. These shifts in bacterial community structure and composition could also be observed from the phylum to the genus level in both NPK and OC amended soils partially explained by differences in soil chemical factors. The OC soil compared to the NPK amended soil also contain significantly higher abundance of predicted genes corresponding to enzymes related to biogeochemical cycling, decomposition and plant growth promotion. Collectively, these results support the use of an unconventional organic fertilizer positively altering bacterial populations in jujube orchards. The application of oil cake-based organic fertilizer improved microbial diversity and enhanced potential ecosystem functions related to bio-geochemical cycles, mineralization and plant growth promotion.

Keywords: Biomass pyrolysis, Chemical Looping Combustion, Life Cycle Assessment, Environmental Impacts, Carbon Footprint.

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.

Cholesterol siRNA conjugates attract attention because they allow the delivery of siRNA into cells without the use of transfection agents. In this study, we compared the efficacy and duration of silencing induced by cholesterol conjugates of selectively and totally modified siRNAs and their heteroduplexes of the same sequence and explored the impact of linker length between the 3' end of the sense strand of siRNA and cholesterol on the silencing activity of “light” and “heavy” modified siRNAs. All 3'-cholesterol conjugates were equally active under transfection, but the conjugate with a C3 linker was less active than those with longer linkers (C8 and C15) in a carrier-free mode. At the same time, they are significantly inferior in activity to the 5'-cholesterol conjugate. Shortening the sense strand carrying cholesterol by 2 nucleotides from the 3'-end did not have a significant effect on the activity of the conjugate. Replacing the antisense strand or both strands with fully modified ones has a significant effect on silencing as well as improving the duration in transfection-mediated and carrier-free modes. A significant 78% suppression of MDR1 gene expression in KB-8-5 xenograft tumors developed in mice promises an advantage from the use of fully modified siRNA cholesterol conjugates in combination chemotherapy.

When designing the battery of an electric vehicle, different parameters must be considered to obtain the safest arrangement of the battery/modules/cells from the mechanical and thermal point of view. In this study, the thermal runaway propagation mechanism of lithium-ion cells is analyzed as a function of their arrangement within a battery pack in case of a fire propagation of a battery pack in which a thermal runaway has occurred. The objective is to identify which cell/module arrangement is most critical within the battery pack by microscopic analysis of the structure and chemical composition of the most damaged cells, both horizontally and vertically, of a battery belonging to a burnt vehicle. And their final condition has been compared with the condition of new cells of the same type. In this way the structure and chemical composition of the anode, cathode and separator after Thermal Runaway has been compared. This research has been carried out to obtain information to understand the mechanical properties of lithium-ion cells and their behavior after thermal runaway heating leading to the propagation of a fire. Through the analysis carried out, it is concluded that cells placed in a vertical arrangement have worse behavior than cells in a horizontal arrangement. Regarding the safety of the battery, the results of this study will allow to determine which arrangement and structure of the cells within the battery pack is safer against thermal runaway due to thermal failure.

Background: Poisoning is a growing public problem that has shown increased prevalence in many countries worldwide, contributing to increased costs and mortalities. A lack of or insufficient information regarding the circumstances, chemicals, drugs and people at risk due to imperfect reporting system is regarded as a barrier to successful poisoning prevention and intervention efforts. In Saudi Arabia, poisoning cases are monitored at the central level in the Ministry of Health, with meticulous follow-up of cases across country areas through public health departments. The current study's objective was to describe the poisoning notification and reporting system in Makkah.Subjects and methods: All reports of chemical and drug overdose poisoning delivered to the environmental health and occupational safety department in Makkah Almukarramah over two years (2018-2019) were reviewed, together with verification of all systems, rules and guidelines organizing the performance of the department.Results: The total number of cases reported in 2018 was 209 cases, while it reached 42 cases in 2019. The overwhelming majority of the cases were Saudi (91.6%), with a slight predominance of males (57.4%) over females (42.6%). Generally, almost two-thirds of the cases occurred in children below 13 years (61.4%), most of the poisoning cases resulted from drug overdose (63.3%), while 34.7% were chemical poisoning. The most common drug poisoning was attributed to analgesics followed by antiepileptics, antihypertensive drugs, antipsychotics and antimicrobials, while cleaning and detergent agents were the most commonly poisoned chemicals. The majority of these agents were taken by the oral route. Children's chemical poisoning was significantly higher than that in older age groups (p<0.05). All intentional poisoning occurred in adults; the great majority of them (88.9%) used drug overdosing rather than chemical substances.Conclusion and recommendations: The current study results are consistent with most of the previous studies carried out in different regions in Saudi Arabia. Reviewing the performance and adherence of the “Environmental Health and Occupational Safety Department” to the guidelines and instruction regulating monitoring, notification and reporting of poison cases are satisfactory and the poisoning surveillance system is effective. Further in-depth studies are needed to elaborate other socioeconomic and demographic factors associated with chemical and drug overdose poisoning. Public health plans, policies and legislations should be implemented to reduce these factors, including prohibition over-the-counter pharmaceutical sales, selling the possibly harmful substances in kid-proof bottles and additional stringent rules governing chemical sale and storage. Intensive supervision of children is needed. Suicidal poisoning patients should seek psychiatric help to limit the possibility of attempting suicide again in the future. Furthermore, efforts are needed to plan and implement health education programs and campaigns about the factors proven in the current study to be significantly related to chemical and drug overdose poisoning to raise public knowledge about exposure to chemicals and its consequences. Popular communication media, commercial malls, road ads, learning institutions and workplaces can be used to deliver health education campaigns and programs. Advice on how to store chemicals safely and how to keep kids safe should be focused on during such programs.

Quinoa, known as the "golden grain" for its high nutritional value, is a significant source of essential nutrients, including proteins, minerals, vitamins, polyphenols, phytosterols, and flavonoids. However, the biological functions of quinoa polysaccharides remain understudied. In this research, two crude quinoa polysaccharides extracts (Q-40 and Q-60) were obtained extracting by 40% and 60% alcohol. The purity of Q-40 and Q-60 was 58.29% and 62.15%, with protein contents of 8.27% and 9.60%, respectively. Monosaccharide analysis revealed that Q-40 contained glucose (Glc), galacturonic acid (GalA), and arabinose (Ara) in a molar ratio of 0.967:0.027:0.006. Q-60 was composed of xylose (xyl), arabinose (Ara), galactose, and galacturonic acid (GalA) with a molar ratio of 0.889:0.036:0.034:0.020. The average molecular weight of Q-40 ranged from 47484 to 626488 Da, while Q-60 showed a range of 10025 to 47990 Da. Rheological experiments showed that Q-40 exhibited higher viscosity, while Q-60 demonstrated more elastic properties. Remarkably, Q-60 showed potent antioxidant abilities, with scavenging rates of 98.49% for DPPH and 57.5% for ABTS. Antibacterial experiments using the microdilution method revealed that Q-40 inhibited the growth of Methicillin-resistant Staphylococcus aureus (MRSA) and E. coli, while Q-60 specifically inhibited MRSA. At lower concentrations, both polysaccharides inhibited MDA cell proliferation, but at higher concentrations, they promoted proliferation. Similar proliferation-promoting effects were observed in HepG2 cells. The research provides important information in application of quinoa in food and functional food industries.

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.

Bimetallic Ni/Cu core-shell and Cu-Ni heterostructural micro- and nanoparticles were prepared using two simple successive reduction procedures. Monometallic Ni and Cu particles were synthesized for comparison. The phase constitutions and morphological features of the particles were studied by means of X-ray diffraction, energy-dispersive X-ray spectroscopy and scanning electron microscopy methods. All the obtained mono- and bimetallic particles were applied as electrocatalysts in the electrohydrogenation of p-nitrophenol (p-NPh). An additional electrochemical reduction of copper cations during the hydrogen saturation of Cu-containing particles was established. Some of the prepared particles exhibited high catalytic activity with an increase in the hydrogenation rate of p-NPh by more than 3 times compared to its electrochemical reduction on the non-activated cathode, and p-NPh conversion yielded the maximum values. The main product of p-NPh electrocatalytic hydrogenation over Ni-Cu particles is p-aminophenol, which is an intermediate in the synthesis of many drugs. p-Aminophenol formation is confirmed by UV-Vis spectra.

Prunus dulcis is one of the most widely cultivated species in the world. Its fruit (almond) is rich in various nutritious and bioactive compounds that exert several beneficial effects. The aim of this study was to determine the chemical profile and evaluate the biological potential in vitro of almond shell extracts. The chemical analysis of shell extracts led to the identification of 15 com-pounds by HPLC-DAD of which 11 were first detected in the almond plant. Twenty-six volatile compounds were identified by the GC-MS technique, among them; seven were firstly detected in the studied plant. For the biological activities, the extracts demonstrated moderate inhibition potential against the antioxidant, antidiabetic, and cytotoxic activities. The methanol extract at 50 µg/mL showed the highest antioxidant (45%) and antidiabetic activities (45% against alpha-glucosidase and 31% against alpha-amylase extracts), while the cyclohexane and dichloromethane at 50 µg/mL showed the highest cytotoxic activity towards Hela (32.2% with cyclohexane), and RAW 264-7 (45% with dichloromethane). Overall, these findings demonstrate the potential of almond shell extracts as a source of bioactive compounds that could be applied in the pharmaceutical and medical fields.

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.

The positive impact of nature on human health has been explored by researchers. Although studies have indicated that olfaction and odors have an impact on both memory and health, re-search on the odor perception in relation to perceived health is scarce. A recent study found that the naturenatural scent from stem cuttings and potted plants of a specific rose-scented geranium Pelargonium graveolens, ‘Dr. Westerlund,’Westerlund’ had positive effects on stress-related mental disorders. reduction. Essential oils from many Pelargonium species, in particular ‘Dr. Westerlund’, are known to have phytochemical properties and pharmacological activities. No study has, so far, explored and identified the chemical com-pounds and the sensory perception of these compounds in stem cuttings and the potted ´Dr. Westerlund´ plantplants. Such knowledge would be an important contribution forto an increased understanding of the effects of plants’ chemical odor properties on human well-being and link this to the expressed perceived scents. Resulting sensory profiles of P.This study aimed to identify the sensory profile and suggest responsible chemical compounds of Pelargonium graveolens ´Dr. Westerlund´ as a potted plant and as stem cuttings were reported, as well as´. The sensory and chemical analysis results revealed sensory profiles of Pelargonium graveolens ´Dr. Westerlund´s, and suggestions for the chemical compounds that are attributed to the sensory profiles. Further studies are recommended to investigate the odor experience of scented pelargonium species in relation to various levels ofcorrelation between volatile com-pounds and possible stress hormones. reduction in humans.

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.

Natural products (NPs) are a rich source of structurally novel molecules, and the chemical space they encompass is far from being fully explored. Over history, NPs have represented a significant source of bioactive molecules and have served as a source of inspiration for developing many drugs on the market. On the other hand, computer-aided drug design (CADD) has contributed to drug discovery research, mitigating costs and time. In this sense, compound databases represent a fundamental element for the CADD. This work reviews the progress toward developing compound databases of natural origin, particularly databases developed in Latin America, and their practical applications in the drug discovery area. We also survey the computational methods, emphasizing chemoinformatic approaches to profile natural product databases.

Serotonin (5-HT) show important relations to stress, and this relationship is crucial to understanding the psychobiology of common mental disorders. Environmental stressors regulate phasic and tonic serotonin levels, which are related to valence and outcome probabilities. This regulation takes place at smaller timescales, but also at the level of gene expression regulation. Moreover, genes related to the synthesis, metabolism, and transport of 5-HT are also involved in this regulation. Genetic variations in these genes modulate how stressors can lead to mental distress, but stressors also modulate gene expression in a genotype-dependent manner. As a result, the relationship between psychosocial stress and the regulation of the expression of 5-HTergic genes is bidirectional. This suggests a “circular causality” in which gene variations control tonic and phasic 5-HT signals (“upward causality”), while configurations and functions of the entire organism determine which genes are up- or downregulated, or which gene products are actually relevant in each situation (“downward causality”). The highly important role of social factors in human psychopathology is highlighted, and factors such as attachment and socioeconomic status modulate how the circular vertical causality between genes, neurotransmitters, and behavior is organized, representing circular horizontal causality. These complex interrelationships also suggest that more refined epistemologies are needed to fully grasp the relationship between 5-HT and common mental disorders.

The aim of this study was to investigate succinic acid production from lactose concentrate, a by-product of cheese-making, using Actinobacillus succinogenes and Basfia succiniciproducens. Although the capability of these strains to metabolize different sugars is already known, their application in the conversion of lactose bears high potential for optimization. With regard to B. succiniciproducens this approach is completely novel. In particular the influence of the mediums sugar concentration and its supplementation with yeast extract to prevent a lack of proteins and vitamins were examined. Lactose based media containing sugar concentrations between 20 and 65 g L-1 and 5 g L-1 yeast extract were fermented, whereby both strains showed comparable performances. The best results in succinic acid yield and acid concentration, 0.57 g g-1 initial sugar and 23 g L1, were achieved at an initial sugar concentration of 43 g L-1. The necessity of yeast extract was demonstrated using the sugar optimized medium without supplementation. As a result, yield and concentration of succinic acid dropped to 0.34 g g-1 and 13 g L-1, the sugar consumption decreased from more than 99 to less than 55 %. Therefore the supplementation amount of 5 g L-1 yeast extract can be regarded as well-balanced.

In the search for new 2D materials beyond graphene with similar exemplary properties Stanene the new graphene relative was successfully synthesized and characterized in 2016 [14]. This new material which consists of atomically thin tin (Sn) atoms arranged in a hexagonal lattice has shown great promise in gas sensing applications in its pristine, doped and functionalized forms as evidenced by the recent research outputs following its discovery. Researchers have discovered that with its exotic properties it is highly efficient in the detection of the environmentally harmful gases like SO2, NO2, CO2, NH3 and can serve as a multifunctional gas sensor. In this focused and up-to-date review we aim to group the literature on first principles studies of stanene regards to its application for gas sensing and critically examine the success/failures of its multifunctional gas sensing properties as compared to graphene. We systematically present and discusses how structural deformations, defects and doping effect the gas sensing performance. Despite the impressive progress in the field of gas sensing with stanene shown by first principles calculations, many challenges in large scale synthesis, device fabrication and commercialization need to be addressed. The current review can help understand the current status and drawbacks of stanene and identify future directions in this field.

Biomass is an attractive energy source that can be used for production of heat, power, and transport fuels, and when produced and used on a sustainable basis, can make a large contribution to reducing greenhouse gas (GHG) emissions. Anaerobic digestion (AD) is a suitable technology for reducing organic matter and generating bioenergy in the form of biogas. This study investigates the factors allowing the optimization of the process of biogas production from the co-digestion of wheat straw (WS) and bovine manure. The statistical analysis of the experiments carried out show that ultrasonic processing plays a fundamental role by sonication density and solids concentration leading to improved characteristics of WS by reducing particle size and increasing concentration of soluble chemical oxygen demand. The higher the sonicating power used, the more the waste particles are disrupted. The optimality obtained under mesophilic conditions for WS pretreated with 4% w/w (weight by weight) H2O2 at temperature 36 °C under 10 minutes of ultrasonication at 25 kHz improves the methane yield by 64%.

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.

Ti6Al4V samples obtained by selective laser melting were subjected to acid treatment, chemical oxidation in hydrogen peroxide solution and subsequent thermochemical treatment. The effect of temperature and time of acid etching of Ti6Al4V samples on surface roughness, morphology, topography and chemical and phase composition after the thermochemical treatment was studied. The surfaces were characterized using scanning electron microscopy, energy dispersive X-ray spectroscopy, X-ray diffraction and contact profilometry. Pore and protrusion sizes were measured. Acid etching modified the elemental composition and surface roughness of the alloy. Temperature had a greater influence on the morphology, topography and surface roughness of samples than time. Increases in roughness values were observed when applying successive chemical oxidation and thermochemical treatment compared to the values observed on surfaces with acid etching. After the thermochemical treatment, the samples with acid etching at a temperature of 80 °C showed a multiscale topography. In addition, a network-shaped structure was obtained on all surfaces, both on their protrusions and pores previously formed during the acid etching.

Alkali-containing submicron particles were measured continuously during three months, including late winter and spring seasons in Gothenburg, Sweden. The overall aims were to characterize the ambient concentrations of combustion-related aerosol particles and to address the importance of local emissions and long-range transport for the atmospheric concentrations in the urban background environment. K and Na concentrations in the PM1 size range were measured by an alkali aerosol mass spectrometer (Alkali-AMS) and a cluster analysis was conducted. Local meteorological conditions and some other data sets were obtained, and back trajectory analyses and chemical transport model (CTM) simulations were included for the evaluation. The Alkali-AMS cluster analysis indicated three major clusters: 1) biomass burning origin, 2) mixture of other combustion sources, and 3) marine origin. Low temperatures and low wind speed conditions correlated with high concentrations of K-containing particles, mainly due to regional emissions from residential biomass combustion; transport of air masses from continental Europe also contribute to cluster 1. The CTM results indicate that open biomass burning in the eastern parts of Europe may have contributed substantially to high PM2.5 concentrations (and to cluster 1) during an episode in late March. According to the CTM results the mixed cluster (2) is likely to include particles emitted from different source types and no single geographical source region seems to dominate for this cluster. The back trajectory analysis and meteorological conditions indicated that the marine origin cluster was correlated with westerly winds and high wind speed; this cluster had high concentrations of Na-containing particles, as expected for sea salt particles.

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.

This study evaluated the impact of the level of supplementation of Moringa oleifera leaves on the nutritional (proximate, mineral and vitamin content) as well as on the antioxidant capacities of smoothies made from a blend of pineapple, banana and apple. The beverage (smoothies) were supplemented with Moringa oleifera leaves at 1.5, 3.0 and 4.5% levels and evaluated for proximate, antioxidant (ferric reducing antioxidant power, FRAP and 2,2-Diphenyl-1-picryhydrazy, DPPH), mineral, vitamin, physicochemical and quality acceptability. The results showed that the moisture content of the beverage ranged between 49.24 – 78.62%, total ash: 1.01 – 9.71, crude fiber: 5.14 – 9.39%, crude fat: 0.72 – 1.86%, crude protein: 5.47 – 19.37% and carbohydrate: 3.65 – 16.99%. Calcium (12.03 -15.53) and potassium (17.22 -25.38) were the predominant mineral elements when compared to magnesium (1.51 – 3.05) mg/L. The vitamin contents ranged between 2.5 – 10.8 and 0.15 – 0.93 mg/L for vitamin C and E, respectively. Total phenolic contents ranged between 4.68 – 6.18 mg/ml while the total flavonoid contents ranged between 0.01 – 0.14 mg/ml. The radical scavenging abilities (DPPH) of the samples ranged between 16.05 – 88.77% while the ferric reducing antioxidant power (FRAP) ranged between 0.38 – 7.36 mg/ml. The brix values showed high sugar contents (15 – 18%) while the pH results showed that the sample was almost neutral at a range between 6.3 and 6.5. The overall quality (sensory) acceptability of the different quality parameters evaluated indicated that the control sample was more preferred. While supplementation with Moringa oleifera leaves significantly affected the sensory parameters, its addition nevertheless offers a potential avenue to obtain additional nutrients besides its improved antioxidative properties.

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.

During the recent decades, global warming by greenhouse gas evolution has attracted worldwide attention and evermore strict regulations thereon have become institutionalized as international policies. In the process, more environment-friendly power generation technologies have been developed utilizing fossil fuels with a view to timely commercialization. As one of such “clean coal” technology, Integrated Gasification Fuel Cell system is a promising power generation means and COS hydrolysis reactor is installed downstream of coal syngas to remove acidic gas constituents such as H2S and COS. The most significant design parameters affecting performance of the COS hydrolysis reactor were selected to be GHSV, (catalytic) reaction temperature, and length ratio and numerical modeling was performed considering heat and fluid flow transfer as well as chemical reaction kinetics. Effect of the selected design parameters on the variation of conversion rate and reactant gas mixture concentration were comprehensively investigated to predict performance of COS hydrolysis reactor. Stochastic modeling of reactor performance was finally performed using Monte Carlo simulation and linear regression fitting.

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.

Recycling of composite materials has become a very important topic to develop sustainable solutions for the management of waste generated by industries that use composite materials. This paper presents a bibliographical review on the main recycling methods of composite materials such as: mechanical, chemical, thermal and hybrid. In mechanical recycling, the material is crushed or ground, generally using the resulting material as filler, which causes limitations in the applications due to the type of resulting fibers (short, long, non-uniform). On the other hand, chemical recycling breaks down polymers through a chemical reaction and recovers fibers, so in some cases the mechanical properties of the fibers are affected. Thermal recycling uses high temperatures to break down materials, transforming them into energy or reusing them in other products. Finally, hybrid recycling uses two or more processes as a means to recover the material; among the most used methods in this category is the mechanical process combined with the thermal process. This review describes the advantages and disadvantages of each method, as well as the environmental impact. Although each type of recycling offers special characteristics for the material obtained, it is necessary to continue researching and developing technologies for recycling processes that promote recycling and reuse of composite materials in a better way.

Contemporary analysis of the chemical composition of medicinal plants, and their biological activities, is important to find new potent therapeutic products. This study deciphers the chemical profiles of three essential oils (EOs) obtained from different flowers of Lantana camara, and evaluates their antioxidant and anticancer activities. The three flowers (white, pink, and orange) were collected, dried, ground, and further extracted by hydrodistillation to yield EO1, EO2 and EO3 respectively. Gas chromatography-mass spectroscopy was employed to identify existing chemical compounds in all samples. Their antioxidant activities were screened through DPPH (2,2-diphenyl-1-picrylhydrazyl) scavenging assay in addition to the FRAP (ferric reducing antioxidant power) assay. The anti-proliferative effects were evaluated on two different breast cancer cell lines, MCF-7 and MDA-MB-231, and compared to a normal human breast cell line MCF-10A, using MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium) assay. The three EOs showed notable antioxidant potential attributed to the active phytochemical compounds. Results were supported by positive correlation between the antioxidant activity and the total phenolic and flavonoid content. Most notably, EO1 (from white flowers) exhibited a remarkable dose-dependent anti-proliferative effect in both breast cancer cell lines. Marked by a sharp reduction in cell proliferation after only 24 hours of treatment, EO1 reflects its potent role as anti-cancer agent. We suggest that this highly selective activity is associated with the presence of bicyclogermacrene and epi-bicyclosesquiphellandrene in its chemical composition.

The use of mindfulness techniques as a cutting-edge tactic to reduce catastrophic risk in the chemical sector is examined in this study. Constructed from fundamental design principles and conventional safety measures, mindfulness provides an additional method for addressing the behavioural and cognitive aspects of risk management. The study looks at the safety paradigms' development, the historical background of significant industrial accidents, and the theoretical foundations of mindfulness in high-reliability businesses. Through the promotion of increased consciousness, better judgement, and better communication, mindfulness has the potential to build a safer culture that is more resilient. The study investigates practical implementation challenges and the measurable outcomes of mindfulness-based interventions in high-risk industrial settings. This multidisciplinary study adds to the continuing conversation about industrial safety by offering insightful information to safety experts, business executives, and legislators. The necessity for additional empirical research to measure the effectiveness of mindfulness therapies in various chemical industry situations is emphasised in the paper's conclusion.

The decline of conventional oil reserves in Nigeria's Niger Delta region necessitates the exploration of alternative heavy oil recovery methods, particularly given that heavy oil constitutes nearly 20% of the region's estimated crude oil reserves. This study investigates the optimization of enhanced heavy oil recovery through the application of Artificial Neural Networks (ANN) and innovative hot chemical flooding techniques. The experimental phase involved the development of a novel chemical mix comprising dissolved liquid soap, scent leaf extract, bitter leaf extract, palm frond ash, xanthan gum, dry gin, and a unique alkali-surfactant mixture (DG + DPFA). These chemicals were tested at varying injection temperatures, and their respective recovery efficiencies were evaluated. For the ANN model development, key reservoir and operational parameters—porosity, permeability, oil specific gravity, and injection temperature—were utilized as input layers, with three hidden layers and one output layer representing the recovery efficiency. The ANN model successfully correlated the input parameters to recovery efficiencies, providing a robust prediction framework for enhanced heavy oil recovery. Software simulations conducted in parallel with the experimental work offered insights into future recovery potential and anticipated water cut profiles. Furthermore, the study presented mathematical correlations for each chemical flooding process, linking the input variables to recovery efficiency. The integration of ANN modelling and experimental validation establishes a comprehensive methodology for optimizing heavy oil recovery in the Niger Delta, suggesting that upstream companies should consider adopting hot chemical flooding strategies to enhance production rates and economic returns. These findings underscore the importance of leveraging advanced technologies and local resources to address the challenges of heavy oil recovery in declining conventional reservoirs.

Experimental studies and numerical analyses were conducted to estimate the laminar flame speeds of butyl ether, n-octane, iso-octane, and 1-octene at temperatures of 373 and 443 K and pressures ranging from 0.03 to 0.3 MPa in a constant-volume combustion chamber. Iso-octane had the slowest laminar flame speed whereas butyl ether had the highest. The LLNL model for large hydrocarbons and the Cai model for butyl ether were combined to describe the chemical kinetic mechanism for the test fuels. The simulation data calculated with the constructed model agree with the experimental data. The discrepancies in the laminar flame speeds of the four fuels were clarified from the perspectives of thermodynamics, diffusion, and chemical kinetics. The results reveal that the thermodynamics and chemical kinetics were dominant. Butyl ether had the highest laminar flame speed. This was attributed to it having the highest adiabatic flame temperature and a higher concentration of H and OH radicals, which have a high reactivity in a flame. Iso-octane produces the highest concentration of CH3, which inhibits flame propagation, so that it had the slowest laminar flame speed.

Background/Objectives: Meconopsis has long been used in traditional Tibetan medicine to treat various diseases. However, blue-flowered Meconopsis (M. betonicifolia) is becoming increasingly scarce due to overharvesting. As a potential alternative, yellow-flowered Meconopsis (M. integrifolia) shows promise but requires comprehensive characterization. This study aimed to evaluate and compare the anti-inflammatory potential of yellow- and blue-flowered Meconopsis species. Methods: LC-MS was used to analyze the chemical profiles of yellow- and blue-flowered Meconopsis. Putative targets of shared constituents were subjected to GO and disease enrichment analysis. The LPS-induced RAW264.7 macrophage model was employed to assess anti-inflammatory effects. Metabolomics was applied to gain mechanistic insights. Results: LC-MS revealed over 70% chemical similarity between species. Enrichment analysis associated targets with inflammation-related pathways. In macrophage assays, both species demonstrated dose-dependent anti-oxidative and anti-inflammatory activities, with yellow Meconopsis exhibiting superior efficacy. Metabolomics showed modulation of key inflammatory metabolic pathways. Conclusions: This integrative study validated yellow-flowered Meconopsis as a credible alternative to its blue-flowered counterpart for anti-inflammatory applications. Metabolic profiling provided initial clues regarding their multi-targeted modes of action, highlighting clinical relevance and potential for sustainable utilization and biodiversity conservation.

: The activated carbons (ACs) derived from okara powder waste with high surface areas were modified with ammonia aqueous solution impregnation in an autoclave to enhance their CO2 adsorption properties toward CO2. The impregnated ACs were characterized in which surface chemical composition and properties of the ACs were analyzed by SEM-EDX, FTIR. Activated carbons were functionalized with ammonia aqueous solution (25%) through a hydrothermal process within 24; 48, and 72 hours. The adsorption performance of CO2 onto carbon samples was experimentally evaluated through a TPD CO2 measurement. FTIR spectra confirm the N-containing in N-modified activated carbons and the presence of the –C = O stretch and N-H groups. CO2 uptakes of N-modified activated carbons are 0.24; 1.78; 2.24 and 1.26 mmol/g, which are relatively comparable with those of activated carbons studied in in the literature.

The activated carbons (ACs) derived from okara powder waste with high surface areas were modified with ammonia aqueous solution impregnation in an autoclave to enhance their CO2 adsorption properties toward CO2. The impregnated ACs were characterized in which surface chemical composition and properties of the ACs were analyzed by SEM-EDS, FTIR. Activated carbons were functionalized with ammonia aqueous solution (25%) through a hydrothermal process within 24; 48, and 72 hours. The adsorption performance of CO2 onto carbon samples was experimentally evaluated through a breakthrough adsorption experimental setup at room temperature. FTIR spectra confirm the N-containing in N-modified activated carbons and the presence of the –C = O stretch and N-H groups. CO2 uptakes of N-modified activated carbons are 0.24; 1.47; and 1.20 mmol/g, which are relatively comparable with those of activated carbons studied in in the literature.

Quantum chemical topology addresses the study of the chemical structure by applying the tools of differential topology to scalar and vector fields obtained by quantum mechanics. Here the magnetically induced isotropically averaged Lorentz force density has been computed and topologically analysed for 11 small molecules. Critical points (attractors, repellers and saddles) have been determined and trajectories connecting the attractors have been computed. It is shown that kinds and numbers of the critical points are rather transferable in similar molecules. CC bonds of different order are endowed with critical points of different kind close to their centre. The long range behaviour of the force allows understanding the value of the sum of topological indices of the isolated critical points.

Soil organic matter (SOM) is essential for nutrient cycling and soil carbon (C) accumu-lation, both of which are heavily influenced by the quality and quantity of plant litter. Since SOM dynamics in relation to plant diversity are poorly understood we investigated the effects of willow variety and mixture, and site on the soil C stocks, SOM chemical composition and ther-mal stability. Using pyrolysis-field ionization mass spectrometry we analysed the top 10 cm of soil from two 7-year-old experimental sites in Germany and Sweden, with monocultures and mixtures of two willow varieties (Salix spp.) belonging to different species. Overall, site had the strongest effect on SOM quality. Results showed significant variability across sites for willow identity and mixture effects on C accumulation and SOM chemistry. In the German site (Ros-tock), yearly soil C accumulation was higher (p < 0.05) for variety ‘Loden’ (1.0 Mg C ha-1 year-1) compared to ‘Tora’ (0.5 Mg C ha-1 year-1), whilst in the Swedish site (Uppsala), both varieties ex-hibited similar soil C accumulation rates of around 0.6 Mg C ha-1 year-1. Willow variety identity significantly affected SOM quality at both sites, while mixing had minor effects. Our findings emphasize the significance of site-specific context and variety or species identity in shaping soil C accumulation in willow plantations.

Hormone changes across women's menstrual cycle may lead to changes in perception of chemical signals and hormonal responses to these cues. The aim of the present study was to determine the role of menstrual cycle phase on the effects of extracts of male axillary secretions (EMAS) in women. We tested healthy reproductive age and premenopausal women (n=29). EMAS/control solution was applied once in two hours either in the follicular or luteal phase, while collecting saliva samples for LH and cortisol monitoring. LH and cortisol concentrations were analyzed using EIA technique. PANAS and VAS were used to assess the mood. We observed a significant increase in the number of LH peaks (p=0.0447) and their amplitude (p=0.0469) when EMAS was applied in the follicular phase. The same application in the luteal phase lowered the amplitude of LH peaks (p=0.0382). EMAS application increases salivary cortisol level in reproductive age women relative to premenopausal women (p=0.0032). PANAS revealed changes in positive and negative affect after EMAS application. Our data indicate the significance of the menstrual cycle phase for EMAS effects on LH secretion, mood, but not on cortisol secretion in women.

Recently, polyacetylene (PA) is receiving a renewed scientific attention due to its electrical properties potentially useful for energy applications (e.g., fabrication of electrodes for batteries and supercapacitors) and unique functional characteristics (e.g., flame retardant, oxygen scavenger, EMI-shielding, etc.). This chemical compound can be obtained in form of a polyacetylene-PVOH copolymers simply by chemical dehydration of poly(vinyl alcohol) (PVOH), which is a very common type of polymer, widely used in packaging and other technological areas. This very inexpensive chemical reaction for the large-scale synthesis of PA/polyvinylenes has been investigated by reacting PVOH with fuming sulfuric acid at room temperature. In this process, PVOH, shaped in form of film, is dipped in fuming sulfuric acid (i.e., H₂SO₄ at 95-97%) and, after complete chemical-dehydration, it has been mechanically removed from the liquid phase by using a nylon sieve. The reduction process leads to a substantial 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. The reaction product has been also characterized by UV-Vis spectroscopy in order to evidence the presence in the structure of conjugated carbon-carbon double bonds of various lengths. Differential scanning calorimetry (DSC) and thermogravimetric analysis have been used respectively to investigate the PA solid-state cis-trans isomerization and thermal stability in air and nitrogen, respectively.

Plastic waste accumulation poses significant environmental challenges, underscoring the importance of closing the plastic life cycle by converting waste into valuable products. Pyrolytic char, a promising byproduct, offers diverse industrial applications. However, little attention has been given to converting hydrocarbon-based plastics into solid carbon due to their low fixed carbon content. This study compares sulfonation and thermal oxidation stabilization techniques for carbonizing waste polyethylene and polyvinyl chloride. Results indicate sulfonation yields higher pyrolytic char formation and improves surface properties, surpassing Al2O3 in catalyst support characteristics. Thermal oxidation increases fixed carbon content but adversely affects char yield and surface properties. Both methods effectively enhance fixed carbon content, but sulfonation emerges as more advantageous, suggesting potential use of plastic-derived char as a catalyst support material, contributing to circular economy development.

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.

Achieving the thermal conductivity required for efficient heat management in semiconductors and other devices requires the integration of thermally conductive ceramic fillers at concentrations of 60 vol% or higher. However, the increased filler content often negatively affects the mechanical properties of the composite matrix, limiting its practical applicability. To address this issue, in this paper, we present a new strategy to reduce the required ceramic filler content: the use of a thermally conductive ceramic composite filler with carbon nanotubes (CNT) grown on aluminum nitride (AlN). We have combined catalyst coating technology with vacuum filtration to ensure that the catalyst is uniformly applied to micrometer-sized AlN particles, followed by efficient and uniform synthesis of CNTs using a water-assisted process in a vertical furnace. By carefully controlling the number of vacuum filtration cycles and the growth time of the CNTs, we demonstrate precise control over the number and length of the CNT layers, thereby adjusting the properties of the composite to the intended specifications. When AlN/CNT hybrid fillers are incorporated into silicone rubber, while maintaining the mechanical properties of rubber, the thermal diffusivity achieved at reduced filler levels exceeds that of composites using AlN-only or simultaneous AlN and CNTs formulations. This demonstrates the critical role of CNTs on AlN surfaces. Our study represents a significant advancement in the design of thermally conductive materials with potential implications for a wide range of applications.

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.

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.

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 ‘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 article reviews the constituent’s physico-chemical parameters in the water of the Mansagar Lake of the Jaipur City. The water quality is also investigated using evaluated physico-chemical parameters with in-depth study of their distribution as per sample location-wise and season-wise. A detailed discussion on the associationship among parameters (pH, Conductivity, turbidity, dissolved Oxygen, chemical and Biochemical Oxygen demand, etc.) using the Pearson’s analytical method is also presented. The strength of the article is the graphical presentation of evaluated physico-chemical parameters and the water quality indices for sample station-wise and the season-wise. To our best of understanding, first time such details have been clubbed together and discussion in brief for studied lake.

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.

Cotton is a potential and excellent candidate to balance both agricultural production and reme-diation of mercury-contained soil, as its main production fiber hardly involve into food chains. However, there is known rarely about the tolerance and response to Hg environments in cotton. In this study, The biochemical and physiological damages, in response to mercury (Hg), were investigated in upland cotton seedlings. The results on cottonseeds germination, indicated the germination rate were suppressed by high Hg levels, as the decrease of percentage was more than 10% at 1000 µM Hg. Shoots and roots’ growth were significantly inhibited above 10 µM Hg. The inhibitor rates (IR) in fresh weight were close between shoots and roots, whereas that in dry weight the root growth was more obviously influenced by Hg. In comparison of organs, the growth inhibition ranked as root > leaf > stem. The declining of translocation factor (TF) op-posed the Hg level even as low to 0.05 at 50 µM Hg. The assimilation of cotton plants was af-fected negatively by Hg toxicity, as evidenced from the performances on photosynthesis pig-ments (chlorophyll a and b) and gas exchange (Intercellular CO2 concentration (Ci), CO2 assimila-tion rate (Pn) and stomatal conductance (Gs)). Sick phenotypes on leaf surface included small white zone, shrinking and necrosis. Membrane lipid peroxidation and leakage were Hg dose-dependent as indicated by malondialdehyde (MDA) content and relative conductivity (RC) values in leaves and roots. More than 10 µM Hg damaged antioxidant enzyme system in both leaves and roots (P<0.05). Concludingly, 10 µM Hg post negative consequences to upland cotton plants in growth, physiology and biochemistry, whereas high phytotoxicity and damage ap-peared at more than 50 µM Hg concentration.

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.

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.

MXenes are two-dimensional nanomaterials isolated from MAX phases by the selective extraction of the A component —a p-block element. The MAX phase exfoliation energy, Eexf, is regarded as a chemical descriptor of the MXene synthesizability. Here we show, by density functional theory estimations of the Eexf values for 486 different MAX phases, that Eexf decreases i) when MAX is a nitride, ii) when going along a d series of the metal M component, iii) when going down a group of the p-block A element, as well as iv) when having thicker MXene phases. Furthermore, Eexf is found to bias, even to govern, the surface chemical activity, as evaluated here on the CO2 adsorption strength, so that more unstable MXenes, displaying larger Eexf values, display a stronger attachment of species upon.