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.

The aim of the study was to verify whether a reduced nitrogen (N) fertilization rate according to the EU recommendation (“From field to table” directive) may guarantee good yields and will be sufficient to maintain soil fertility in monoculture maize cultivation in the no-tillage (NT) system versus the traditional plowing (P) system. Two fields (10 ha each) were established for P and NT maize cultivation where the following N doses were applied: 0.0; 69.0, 92.0, and 115.0 kg ha-1. Soils (0-20 cm) were sampled two times per year - in spring (before maize sowing) and in autumn (after maize harvesting). A broad range of chemical (reaction, water holding capacity, total and easily degradable carbon, ammonium, nitrates, magnesium, calcium, potassium, sulfur) and biological (respiration, humic acids) parameters were monitored during the experiment. The vast majority of these factors had higher values in autumn than in spring. Although the role of reduced fertilization was not shown to be significant, the correlation analysis revealed some relationships between yield and nutrient availability. The 20% reduction in N fertilization does not have an adverse effect on the chemistry and biological characteristics of soils and does not worsen their chemical and biological quality.

White and three types of black garlic (13, 32 and 45 days of fermentation, named 0C1, 1C2 and 2C1 respectively) were selected in order to check possible differences in their nutraceutic potential. For this purpose, garlic were physico-chemically characterised, and both in vivo and in vitro assays were carried out. Black garlic showed higher polyphenol content and antioxidant capacity than white garlic. The biological studies have shown that only white garlic was not safe showing toxicity effect. Furthermore, none garlic exert protective effects against H₂O₂, except the 0C1 black garlic. Moreover, garlic was non-genotoxic with the exception of the highest concentration of white garlic. On the other hand, 0C1 was the most antigenotoxic substance. The in vivo longevity assays yielded significant extension of lifespan results in some concentrations of white and 0C1and 1C2 black garlic. The in vitro experiments showed that all studied garlic induced a decrease in leukaemia cells growth. However, none type of garlic was able to induce proapoptotic internucleosomal DNA fragmentation. Taking into account the physicochemical and biological data, black garlic could be considered as a potential functional food and used in preventive treatment of age-related diseases. In addition, our findings could be relevant for the black garlic processing agrifood companies as the economical and timing costs are significantly reduced to 13 days aging.

Natural product especially secondary metabolites that produced by plants under the stressed condition shown to have a different pharmacological impact. Aeluropus lagopoides is one of the typical halophyte plants survivals under stressed conditions. It has been used for wound healing and as a painkiller. The bioactivity and the chemical composition of this plant have poorly investigated. Consequently, chemical components of A. lagopoides leaves were extracted using hexane (nonpolar), ethyl acetate (semi-polar), n-butanol (polar) to extract the most extensive variety of metabolites. The cytotoxicity and anticancer impact of extracted secondary metabolites evaluated against breast (MCF-7), colon (HCT-116), and liver (HepG2) cancer cell lines using SRB test. The mechanism of action verified by observing the appearance of apoptotic bodies using the fluorescent microscope while their antiproliferative impact had been evaluated using flow cytometer. Results revealed that secondary metabolites extracted using hexane and ethyl acetate were having the highest cytotoxicity and thus anticancer activity effect on HepG2 with IC₅₀ (24.29 ± 0.85, 11.22 ± 0.679 µg/mL) respectively. Where apoptotic bodies observed, flow cytometer results exhibited that secondary metabolites can inhibit cell cycle in G0/G1 phase. Accordingly, A. lagopoides hexane and ethyl acetate extracts may consider as a candidate anti-cancer drug.

Congenital Disorders of Glycosylation (CDG) are a heterogenous group of primarily autosomal recessive mendelian diseases caused by disruptions in the synthesis of lipid linked oligosaccha-rides and their transfer to proteins. CDGs affect multiple organ systems and vary in presentation, even within families. Here we describe a chemically induced mouse mutant, tvrm76, with early onset photoreceptor degeneration. The recessive mutation was mapped to Chromosome 9 and as-sociated with a missense mutation in the Dpagt1 gene encoding UDP-N-acetyl-D-glucosamine:dolichyl-phosphate N-acetyl-D-glucosaminephosphotransferase (EC 2.7.8.15). The mutation is predicted to cause a substitution of aspartic acid with glycine at residue 166 of DPAGT1. Increased expression of Ddit3, and elevated levels of HSPA5 (BiP) sug-gest the presence of early-onset endoplasmic reticulum (ER) stress. These changes were associated with induction of photoreceptor apoptosis in tvrm76 retinas. Mutations in human DPAGT1 cause Myasthenic Syndrome 13 and severe forms of Congenital Disorder of Glycosylation Type Ij. In contrast, Dpagt1tvrm76 homozygous mice present with congenital photoreceptor degeneration without overt muscle or muscular junction involvement. Our results suggest the possibility of DPAGT1 mutations in human patients that present primarily with retinitis pigmentosa with little or no muscle disease. Variants in DPAGT1 should be considered when evaluating cases of non-syndromic retinal degeneration.

Endocrine-disrupting chemicals (EDCs) significantly damage biological systems related to reproductive, neurological, and metabolic functions. Approximately 1,000 chemicals are known to possess endocrine-acting properties, including bisphenol A (BPA) and di(2-ethylhexyl) phthalate (DEHP). This study primarily focuses on the potential effects of EDCs on the transcriptional levels of innate immune prophenoloxidase (proPO) system-related genes to oxidative stress in the gonad and stomach of the mud crab Macrophthalmus japonicus, an indicator species for assessing coastal benthic environments, when exposed to BPA or DEHP. After EDC exposure, the expression of lipopolysaccharide and β-1,3-glucan-binding protein (LGBP), a pattern recognition protein that activates the proPO system, was upregulated in the stomach of M. japonicus, whereas LGBP gene expression was downregulated in the gonad. In the gonad, which is a reproductive organ, EDC exposure mainly induced the transcriptional upregulation of trypsin-like serine protease (Tryp) at relatively low concentrations. In the stomach, which is a digestive organ, LGBP expression was upregulated at relatively low concentrations of EDCs over 7 days, whereas all proPO system-related genes (LGBP, Tryp, serine protease inhibitor (Serpin), and peroxinectin (PE)) responded to all concentrations of EDCs. These results suggest that the antioxidant and immune defense responses of the proPO system to EDC toxicity may vary, causing different degrees of damage depending on the tissue type in the mud crab.

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.

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.

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%.

This study explores the inelastic doubly differential transverse momentum spectra of the primary charged particles, (π + + π − ), (K + + K − ) and (pp̄) as a function of underlying event √ (UE) at s = 13 T eV . The particle production is measured on the basis of different angular regions like toward, transverse and away, elucidated with respect to the direction of leading particle of an event. To study the thermal freeze-out parameters, the non extensive Tsallis distribution function is used, to extract the temperature Tef f , and chemical potential µ, which provides a basis to explain the QCD matter. The Tsallis distribution function clearly describes transverse momentum spectra in pseudorapidity region of |η| < 0.8. The best fit corresponds to minimum χ2 /ndf value for the transverse momentum distribution. It is observed that effective temperature Tef f changes from away to towards and forward region.

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.

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.

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.

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

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.

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.

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.

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.

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 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.

Euler's theorem about the relationship between the numbers of individual elements of planar graphs (vertices, edges, faces) is also satisfied when the graph has zero vertices. The problem of the existence or not of such graphs has so far been the subject of very few studies. Plus, research that didn't prove anything. The paper presents an interpretation of this kind of graphs as mathematical formations lying on piecewise smooth surfaces. The lines of intersection of two or more smooth surfaces (faces of a graph) form edges without a vertex of the graph. The elementary properties of such graphs are discussed, the method of counting non-isomorphic 0-vertex graphs and their importance in physics and chemistry are given.

We study in detail the influence of different chemical potentials (baryon, charged, strange, and neutrino) on how and how fast a free gas of quarks in the zero-temperature limit reaches the conformal limit. We discuss the influence of non-zero masses, the inclusion of leptons, and different constraints, such as charge neutrality, zero-net strangeness, and fixed lepton fraction. We also investigate for the first time how the symmetry energy of the system under some of these conditions approaches the conformal limit. Finally, we briefly discuss what kind of corrections are expected from perturbative QCD as one goes away from the conformal limit.

Chemical instability of liquid-repellent surfaces is one of the nontrivial hurdles that hinders their real-world applications. Although much efforts have been made to prepare chemically durable liquid-repellent surfaces, few attentions have been paid to exploit the instability for versatile use. Herein, we propose to create hydrophilic patterns on superhydrophobic surface by taking advantage of its chemical instability induced by acid solution treatment. Superhydrophobic Cu(OH)2 nanoneedles covered Cu plate that shows poor stability towards HCl solution (1.0 M) is taken as an example. Results show that 2.5 min of HCl solution exposure leads to the etching of Cu(OH)2 nanoneedles and partial removal of self-assembled fluoroalkyl silane molecular layer, resulting in the wettability transition from superhydrophobocity to hydrophilicity, and the water contact angle decreases from ~160° to ~30°. Hydrophilic dimples with different diameters are then created on the superhydrophobic surfaces by depositing HCl droplets with different volumes. Afterwards, the hydrophilic dimple patterned superhydrophobic surfaces are used for water droplet manipulations, including controlled transfer, merging and nanoliter droplets deposition. The results thereby verify the feasibility of creating wettability patterns on superhydrophobic surfaces by using their chemical instability towards corrosive solutions, which broadens the fabrication methods and applications of functional liquid-repellent surfaces.

Speciation analysis is a relevant topic since the (eco)toxicity, bioavailability, bio (geo)chemical cycles, and mobility of a given element depend on its chemical forms (oxidation state, organic ligands, etc.). Reliability of analytical results for chemical species of elements depends mostly on the maintaining of their stability during sample pretreatment step and on the selectivity of further separation step. Solid phase extraction (SPE) is a matter of choice as most suitable and widely used procedure for both enrichment of chemical species of elements and their separation. Features of sorbent material are of great importance to ensure extraction efficiency from one side and selectivity from other side of SPE procedure. This review presents an update on the application of polymeric materials in solid-phase extraction used in non-chromatographic methods for speciation analysis.

Recently, polyetheretherketone (PEEK) has shown promising dental applications; although surface treatment is essential for dental applications owing to its poor surface energy and wettability, no consensus on an effective treatment method has been achieved. In this study, we attempt to carboxylate PEEK sample surfaces via Friedel–Crafts acylation using succinic anhydride and AlBr3. The possibility of further chemical modifications using carboxyl groups is examined. The samples are subjected to dehydration–condensation reactions with 1H,1H-pentadecafluorooctylamine and N,N'-dicyclohexylcarbodiimide. The sample surface properties at each reaction stage are evaluated. An absorption band in the 3300–3500 cm-1 wavenumber region is observed. Additionally, peak suggestive of COOH is observed in the sample spectra. Secondary modification diminished the absorption band in 3300–3500 cm-1 and a clear F1s signal is observed. Thus, Friedel–Crafts acylation with succinic anhydride produces carboxyl groups on the PEEK sample surfaces. Further chemical modification of the carboxyl groups by dehydration-condensation reactions is also possible. Thus, a series of reactions can be employed to impart desired chemical structures to PEEK surfaces.

Chemical warfare agents (CWAs) are one of the most toxic compounds. Degradation of CWAs using decontamination agents is one of the few ways to protect human health against the harmful effects of CWAs. A ferrate Fe(VI) based potential chemical warfare agent decontaminant was studied for degradation of persistent nitrogen mustard (tris(2-chloroethyl)amine, HN3). By optimizing the reaction conditions, the complete degradation of HN3 was achieved in 4 minutes. The degradation products contained mostly reduced Fe species which confirmed the environmental friendliness of the proposed decontamination solution.

Multiresistant pathogens pose a serious threat to human health. The genus candida is one class of human pathogenic yeasts responsible for infections affecting healthy and immunocompromised patients. In this context, plant essential oils emerged as a future natural alternative to control the diseases caused by these pathogens. Here, it highlighted antimicrobial activity and the mechanisms of action of the essential oil extracted from Croton pluriglandulosus Carn.-Torres & Riina (CpEO) leaves on human pathogenic microorganisms in planktonic and biofilm lifestyles. In addition, for the first time, the oil composition was revealed by GC-MS analysis and the toxicity to human red blood cells (HRBC). Twenty-six chemical compounds were identified in EOCp, Elemicin, Bicyclogermacrene, caryophyllene, brevifolin and 2,4,6-trimethoxy-styrene. Through hemolytic assay, it was shown that CpEO has no toxicity to human RBCs. At the concentration of 50 μg mL-1, CpEO did not show great antibacterial potential. However, promising data were found for C. krusei and C. parapsilosis inhibiting by 89.3% and 80.7% of planktonic cell growth and 83.5% and 77.9% the biofilm formation, respectively. Furthermore, the mechanisms of action CpEO were elucidated by fluorescence. Scanning electron microscopy revealed damage to the cell membrane and pore formation, ROS overproduction, and Induction of apoptosis in candida cells. Our results reinforce the potential of CpEO as an effective alternative molecule of pharmaceutical interest.

Organophosphorus nerve agents are amongst the most toxic chemicals known to human beings. 9 They interfere with the central nervous system, resulting in continuous muscle contractions, 10 paralysis and even death. Prohibition by many countries around the world cannot disguise the 11 remaining presence of nerve agents in stockpile storage and governmental deployment, 12 highlighting the dire need for an efficient catalyst to degrade and detoxify nerve agents by 13 hydrolysis. Metal-organic frameworks (MOFs) have raised a few eyebrows for their permanent 14 porosity, precise tunability, and lasting stability. Modern Reticular Chemistry fosters the design and 15 synthesis of well-defined crystalline MOFs with open Lewis acidic metal sites that can catalytically 16 hydrolyze nerve agents both in aqueous solution and in solid state systems, unveiling unparalleled 17 potential for MOF-based personal protection gears. In this review, a summary of the representative 18 catalytically active MOFs in nerve agent hydrolysis is discussed. MOFs are categorized by their 19 reticular structure, emphasizing the capability and mechanistic insights of each single MOF in nerve 20 agent hydrolysis. The author’s perspective on the current challenges and future directions of MOF- 21 based catalysts in real-world protection applications is also provided, which hopefully could shed some 22 light on the future development of commercially available MOF protection suits.

As consequence of the digital transformation, e-learning methodologies have become an inseparable part of the standard classes in schools and universities, assuming an increasingly significant role in compensating for the difficulties resulting from the COVID-19 pandemic. Numerous pedagogical methodologies and strategies can be easily implemented in high education, promoting students’ motivation and interest in learning. This research study analyses the implementation of gamification pedagogical strategy on 50-60 undergraduate chemical engineering students at the university, by evaluating its effect on the success rate on a specific topic of Chemical Reactions Engineering subject and the motivation effect for the following topics. Our results show a significant positive effect of the gamification strategy on university lectures, increasing up to 25-30 % of the success ratio with an apparent motivation effect. During the subsequent years, the changes in the lifestyle of study also play a role in students’ performance. Therefore, it is necessary to evaluate case studies such as the one presented here to understand better the use of these pedagogical methods and strategies in high education, especially in technical subjects described in this paper.

The development of a fast and accurate intraoperative method that enables the differentiation and stratification of cancerous lesions is still a challenging problem in laboratory medicine. Therefore, it is important to find and optimize a simple and effective analytical method that enables the selection of distinctive metabolites. This study aims to assess the usefulness of solid-phase microextraction (SPME) probes as a sampling method for the lipidomic analysis of brain tumors. To this end, SPME was applied to sample brain tumors immediately after excision, followed by lipidomic analysis via liquid chromatography-high resolution mass spectrometry (LC-HRMS). The results showed that long fibers were a good option for extracting analytes from an entire lesion to obtain an average lipidomic profile. Moreover, significant differences between tumors of different histological origin were observed. In-depth investigation of the glioma samples revealed that malignancy grade and isocitrate dehydrogenase (IDH) mutation status impact the lipidomic composition of the tumor, whereas 1p/19q co-deletion did not appear to alter the lipid profile. This first on-site lipidomic analysis of intact tumors proved that chemical biopsy with SPME is a promising tool for the simple and fast extraction of lipid markers in neurooncology.

Chemical flooding is one of the effective methods to recover large volumes of oil from sandstone formations after primary depletion. However, silica dissolution often occurs during Alkaline-Surfactant-Polymer (ASP) flooding, affecting the petro-physical properties of the formation. To address this issue, samples from Berea sandstone formations were treated with various brine solutions, through static tube tests and core flooding experiments. Analytical tests such as DR/2800 spectrophotometer and scanning electron microscope were used to evaluate the silica solubility and the alteration in mineral content. The results indicated that the silicate contents decreased after the saturation due to silica solubility in the solution. Increasing brine salinity to 40,000ppm and introducing Magnesium and Calcium ions to the solution, reduces the silicate contents by 5.03 % and 7.32 %. Moreover, saturating the samples with ASP solution, further reduced the silicate contents by 14.86 %. This reduction is associated with a relative increase in silica solubility and pH of the solution. Silica dissolution affects the pore microstructure, which resulted in increasing the porosity and pore volume after the core flooding. The injection of the ASP solution increased the porosity by 5.83%, thus the pore volume increased from 17.72 to 18.76cc. This is associated with the high silica solubility and the increase of solution pH in the ASP solution. The permeability of the samples generally reduced after the core flooding, due to the silica solubility. However, injecting the ASP solution, resulted in a major reduction of the permeability by more than 75%. These changes in the petro-physical properties can lead to severe formation damage, and affect hydrocarbon production. This study assists in understanding the impact of silica dissolution during ASP treatment and addresses the factors involved. Efficient utilization of chemical flooding can help mitigating silicate scaling within the formation, and extend field productivity.

The main bottleneck when performing computational fluid dynamics (CFD) simulations of combustion systems is the computation and integration of the highly non-linear and stiff chemical source terms. In recent times, machine learning has emerged as a promising tool to accelerate combustion chemistry, involving the use of regression models to predict the chemical source terms as functions of the thermochemical state of the system. However, combustion is a highly nonlinear phenomenon, and this often leads to divergence from the true solution when the neural network representation of chemical kinetics is integrated in time. This is because these approaches minimize the error during training without guaranteeing successful integration with ordinary differential equation (ODE) solvers. In this work, a novel neural ODE approach to combustion modeling, ChemNODE, is developed to address this issue. The source terms predicted by the neural network are integrated during training, and by backpropagating errors through the ODE solver, the neural network weights are adjusted accordingly to minimize the difference between the predicted and actual ODE solutions. It is shown that even when the dimensionality of the thermochemical manifold is trimmed to remove redundant species, the proposed approach accurately captures the correct physical behavior and reproduces the results obtained using the full chemical kinetic mechanism.

An improved method for Fluctuation Enhanced Sensing (FES) is introduced. We enhanced the old binary fingerprinting method, where the fingerprint bit values were ± 1, by introducing ternary fingerprints utilizing a reference odor. In the ternary method, the fingerprint bit values are -1, 0, and +1 where the 0 value stands for the situation where the slope of the spectrum is identical to that of the reference odor. The application of the reference odor spectrum makes the fingerprint relative to the reference. This feature increases the information entropy of the fingerprints. The method is briefly illustrated by sensing bacterial odor in cow manure isolates.

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

The current study focused on reviewing the rapid growing of using magnetic water in different fields of science and measure the influence of several intensities of magnetization on the chemical and electrical properties of tap water treated by reverse osmosis. The work includes circulation of water for 24 h. in magnetic fields of intensity 500, 1000, 1500, and 2000 G. The magnetization of water causes increasing some positive and negative ions in water such as (Mg, K, Na, Cl¯, Alkaline and SiO₂) and decreasing some positive and negative ions (Ca and SO₃). In the near future, the application of concepts of sustainability development in civil engineering have the to produce structures in harmony with these concepts through using of high-performance materials with less impacts on the environmental and have low cost. The main application of using magnetic water is improvement the geotechnical properties of soil through precipitation of calcite which increases the bond between soil particles and then strength of soil.

Over the years, scarcity of fresh potable water has increased the demand for clean water. Meanwhile, with the advent of nanotechnology, the use of nanomaterials for photocatalytic degradation of pollutants in wastewaters has increased. Herein, a new type of nanohybrids of La and Mn co-doped bismuth ferrite (BiFeO₃) nanoparticles embedded into transition metal carbide sheets (MXene) were prepared by a low-cost double solvent sol-gel method, and investigated for their photocatalytic activity. The photoluminescence results showed that pure BFO has highest electron hole recombination rate as compared to all the co-doped BFO/MXene nanohybrids. The larger surface area and higher electron-hole pair generation rate provides suitable environment for fast photo-degradation of organic molecules. The band gap of the prepared nanohybrids was tuned to 1.96 eV having largest BiFeO₃ surface area (147 m²g⁻¹) reported till date. Moreover, the BLFO/MXene and BLFMO-5/Mxene degraded the 92% organic pollutant from water in dark and remaining in light spectrum as compare to undoped BFO/Mxene due to enhancement of the surface area and electron-hole recombination rate upon doping. Therefore, these synthesized nanohybrids could be a promising candidate for photocatalytic applications in future.

Membrane Inlet Mass Spectrometry (MIMS) was used to analyze monochloramine solutions (NH₂Cl) and ammonia solutions in a compact FTICR. Chemical ionization enables identification and quantification of the products present in the permeate. The responses of protonated monochloramine and ammonium increase linearly with the solution concentration. The enrichments were respectively 1.2 and 5.5. Pervaporation is dependent on pH and only the basic form of ammonia NH₃ pervaporates through the membrane. Unexpectedly, the small ammonia molecule permeated very slowly. It could be due to interactions with water molecules inside the membrane that create clusters. Moreover, NH₂Cl solutions, in addition to the NH₃Cl⁺ signal, presented a strong NH₄⁺ signal at m/z 18.034 . Ammonia presence in the low-pressure zone before ionization is probable as NH₄⁺ was detected with all the precursors used, particularly CF₃⁺ and trimethylbenzene that presents a proton affinity higher than monochloramine. Ammonia may be formed inside the membrane due to the fact that NH₂Cl is unstable and may react with the water present in the membrane. Those results highlight the need for caution when dealing with chloramines in MIMS and more generally with unstable molecules.

The second law of thermodynamics states the increase of entropy, ΔS > 0, for real processes from state A to state B at constant energy from chemistry over biological life and engines to cosmic events. The connection of entropy to information, phase-space and heat is helpful, but does not immediately convince observers of the validity and basis of the second law. This gave grounds for finding a rigorous, but more easily acceptable reformulation. Here we show using statistical mechanics that this principle is equivalent to a force law ⟨⟨f⟩⟩> 0 in systems where mass centres and forces can be identified. The sign of this net force - the average mean force along a path from A to B - determines the direction of the process. The force law applies to a wide range of processes from machines to chemical reactions. The explanation of irreversibility by a driving force appears more plausible than the traditional formulation as it emphasizes the cause instead of the effect of motions.

Current education in biology is devoid of mathematics in many countries, probably because many relevant biological processes are explained from a qualitative point of view rather than addressing the quantitative aspects of these phenomena. Here, we employ a case study from the yeast physiology to illustrate the importance of numeracy skills for a deeper understanding of relevant biological problems. Yeast anaerobic growth on sugars is a widespread process as it is the basis for beer, bread, and winemaking and it is much akin to lactic acid fermentation in muscle cells in response to an increased energy demand. To study the physiology of yeasts under controlled conditions and being able to compare the results quantitatively, one ought to perform measurements and calculations involving concentrations of oxygen, biomass, and organic compounds. To set-up an “anaerobic” culture of Saccharomyces cerevisiae in a defined medium, one needs to calculate how much oxygen must enter the cultivation system, to meet the requirements for ergosterol and oleic acid biosyntheses, both of which require oxygen. Using basic physicochemical principles and simple mathematical skills, students will be able to compute the oxygen requirement for yeast growth under such “anaerobic” conditions.

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.

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.

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.

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.

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.

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.

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.

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.

Nerve agents have recently been used in battlefield operations, espionage wars and terrorist attacks. These compounds, like some pesticides, cause organophosphate poisoning. The rapid, non-contact detection of a sarin simulant has been demonstrated at the Diagnostics and Metrology Laboratory of the Italian National Agency for New Technologies, Energy and Sustainable Economic Development using laser photoacoustic spectroscopy, an infrared absorption technology. The first measurements, carried out with an experimental system based on a quantum cascade laser and developed for the assessment of food authenticity in the “fingerprint region”, show that a detection limit of 1 nanolitre is within the reach of the instrument when chemometric analysis is applied.

The açaí (Euterpe oleracea Mart.) is a native fruit of the Amazon that is well-known due to its commercial value. Its production chain is centered in the state of Pará, largely supplied by extractivism. The processing of açaí fruits in nature generates huge amount of solid waste, which can pose serious risks to the environment if not used and managed properly. Due to a small number of systhematic studies on the effect of chemical activation by pyrolysis of açaí seeds and fibers, and with the aim of providing a basis for future applications of the waste generated by processing of açaí fruits, the present work proposes a study of the pyrolysis of açaí seeds and fibers and the physicochemical and compositional characterization of the aqueous phase products. In this way, açaí seeds were collected from a local artisan processing facility in the city of Belém, PA. The seeds were dried at 105°C until constant weight, and subsequently, the fibers were separated from the seeds in a rotating drum. The seeds and fibers were impregnated with NaOH solutions at 0.5M, 1.0M, and 2.0M, and then pyrolyzed at a laboratory scale at 450 °C and 1 atm. The liquid products from pyrolysis were characterized through acidity index analysis, Fourier-transform infrared spectroscopy, and gas chromatography. The increase in the concentration of the impregnating agent resulted in an increase in bio-oil yield from both the seeds and fibers, rising from 3.3% (raw seeds) to 6.6% (seeds impregnated with 2M NaOH) and from 1.2% (raw fibers) to 3.7% (fibers impregnated with 2M NaOH). The yield in the aqueous phase after biomass pyrolysis showed an inverse behavior to the bio-oil yield, decreasing from 33.7% (raw fibers) to 21.2% (fibers impregnated with 2M NaOH) and from 41% (raw seeds) to 37.5% (seeds impregnated with 2.0M NaOH). High acidity levels were found in the aqueous phase samples and bio-oils derived from the seeds and fibers, which decreased as the concentration of the impregnating agent increased. The increase in the concentration of the impregnating agent (NaOH) influenced the chemical composition of the obtained liquid products, leading to a decrease in oxygenated compounds and an increase in nitrogenous compounds in both experimental matrices, which was also evidenced by the reduction in acidity.

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.

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.

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.

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.

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.

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.

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.

On the basis of a stocktaking on PVC in Europe and on a current ECHA investigation report, we conclude that regulatory action at EU level is recommended. We support ECHA's regulatory proposals in the main, but come to a more comprehensive proposal for the phasing-out of PVC beyond the area of electrical installations. PVC stored in buildings and infrastructure to date amounts to around 160 million tonnes ("stock") and this mass is still increasing. Parts from the stock have entered the waste management sector for years and their mass is gradually increasing. Neither material, chemical nor energy recovery will be able to absorb these incoming quantities. We therefore come to the conclusion that PVC should be collected separately and disposed of in an infrastructure designed for chlorine recovery. The required infrastructure should be set up and operated by the chemical industry. So, PVC will lose its status as a particularly economically favorable plastic. In view of the constantly increasing stock, we recommend phasing-out the production of virgin PVC as early as possible. In our opinion, this would also be justifiable because the effects of the closed loop recycling announced by VinylPlus ('Vinyl') would go in the same direction.

The accumulation of waste plastics has a severe impact on the environment, and therefore, the development of efficient chemical recycling methods has become an extremely important task. In this regard, a new strategy of degradation product-promoted depolymerization process was proposed. Using N,N'-dimethyl-ethylenediamine (DMEDA) as depolymerization reagent, an efficient chemical recycling of poly(bisphenol A carbonate) (BPA-PC) material was achieved under mild conditions. The degradation product 1,3-dimethyl-2-imidazolidinone (DMI) was proven to be the critical factor in facilitating the depolymerization process. This strategy does not require catalysts or auxiliary solvents, which is truly green process. This method improves the recycling efficiency of BPA-PC and promotes the development of plastic reutilization.

The stochastic modelling of chemical physical processes is essentially based on a coarse-grained formulation of fluctuations, usually described by means of Wiener processes. By taking the paradigmatic example of chemical reaction kinetics, we propose a simple representation of microscopic stochastic dynamics grounded on the use of distributional derivatives of counting processes that account for elementary reactive events. This approach is consistent with the statistical analysis based on the Chemical Master Equation, and provides the formal setting for the existing algorithmic approaches (Gillespie algorithm). Some practical advantages of this formulation are addressed, and several other examples are discussed in connection with cluster formation, velocity fluctuations in liquid systems, and quantum transitions (radiative interactions) at the molecular level.

A tunable near-infrared surface plasmon resonance (SPR) biosensor based on gate-controlled graphene plasmons is investigated theoretically. The novel characteristics of chemical potential sensing make the proposed sensor promising in the application of ultra-sensitive and highly specific biosensing technology. The sensitivity of chemical potential sensing in wavelength interrogation mode can be calculated to be 1.5, 1.89, 2.29, 3.21, 3.73 and 4.68 nm/meV respectively at the central wavelength of 1100, 1200, 1310, 1550, 1700 and 1900 nm. The much smaller full width half maximum (FWHMs) comparing with that of 2D nanomaterial-enhanced metal SPR sensors indicates higher figure of merit. The sensitivity of chemical potential sensing in gate voltage interrogation mode also can be calculated to be 156.9822, 143.6147, 131.0779, 111.0351, 101.3415 and 90.6038 mV/meV respectively at the incident wavelength of 1100, 1200, 1310, 1550, 1700 and 1900 nm. It can be estimated theoretically that the limit of detection (LOD) in DNA sensing of the proposed sensor can reach femtomolar level and even attomolar level, comparable to and even lower than that of 2D nanomaterial-enhanced metal SPR sensors with AuNPs as a sensitivity enhancement strategy. The feasibility of preparation and operation of this new concept SPR biosensor is also analyzed and discussed.

We successfully fabricated Ag@Cu2O core-shell decorated on reduced graphene oxide (rGO) nanocomposites (ACRN) by a simple and convenient in situ substitution method. The properties of these ACRN with heterostructure layers were characterized by scanning and transmission electron microscopies and absorption spectroscopy. We used p-nitrophenol (4-NP) as a probe molecule to determine the chemical catalytic activity of the ACRN. Upon introduction of rGO, a high electron transfer efficiency was achieved; thus, the catalytic activity was improved significantly. Therefore, the ACRN exhibited significantly improved catalytic activity for the reduction of 4-NP and showed the high application value in the removal of toxic and harmful substances from water. In addition, the fabricated ACRN was used for the reduction of organic dyes and explosive pollutants to generate nontoxic products. Furthermore, the high charge redistribution and transfer among Ag, Cu2O and rGO in the ACRN induced the high catalytic reduction of organic pollutants, indicating the excellent potential of these materials for applications in water pollution treatment.

Ants have a very sophisticated olfactory system; their communication is based on the interpretation of chemical trails known as semiochemicals. The escamolera ant (Liometopum apiculatum), has behaviors and physiological responses is induced by semiochemicals, without however, these have not been studied. Using an electronic nose analysis (e-nose) and chromatographic techniques, semiochemicals of L. apiculatum in nests, foraging trails and dissected the gasters were evaluated. Data were analyzed with multivariate statistics and a logistic regression model based on predictors (ant counts) and the semiochemicals identified in pre-season (PRE), season (TEM) and post-season (POS) of larval collecting. From the general pattern of volatiles with a natural separation in POS and a partial distribution between PRE and TEM 32 semiochemicals were identified inside the nests, those who can induce the behavioral responses of trail-following, alarm, aggression, and nestmate recognition. Trail counts indicated that ant traffic was higher in POS and that the presence of certain semiochemicals (response variable) have good fit in the model regression. These findings are intended to provide useful information and support decision-making for the conservation and sustainable use of L. apiculatum in central Mexico.

Surface chemistry evaluation plays a crucial role in assessing the efficacy of chemical decontamination products for titanium implants. This study aimed to investigate the effectiveness of chemical decontamination solutions in cleaning a contaminated dental implant surface and to evaluate the potential of combining Pluronic gel with hydrogen peroxide (NuBone®Clean) by evaluating pellicle disruption and re-formation on implant surfaces. In addition, ensuring safety with in- vitro and human testing protocols. X-ray Photoelectron Spectroscopy (XPS) was utilized for surface analysis. All the tested gels had some effect on the surface cleanness except for PrefGel®. Among the tested chemical decontamination candidates, NuBone®Clean demonstrated effectiveness in providing a cleaner titanium surface. Furthermore, none of the tested chemical agents exhibited any cytotoxic effects, and the safety assessment showed no adverse events. The results of this study highlight the significance of conducting comprehensive evaluations, encompassing safety and efficacy, before introducing new chemical agents for dental treatments. The findings suggest that NuBone®Clean shows potential as a chemical decontamination solution for implant surfaces. However, further investigation through randomized clinical trials is necessary. By adhering to rigorous testing protocols, the development of safe and efficient chemical decontamination strategies can be advanced, benefiting patients and promoting progress in the field of implant dentistry.

Cyanobacteria are photosynthetic microorganisms that colonize diverse environments worldwide, ranging from ocean to freshwaters, soils, and extreme environments. Their adaptation capacities and the diversity of natural products (molecules, metabolites, or compounds) that they synthesize support the cyanobacterial success for the colonization of their respective ecological niches. Although cyanobacteria are well-known for their toxin production and their relative deleterious consequences, they also produce a large variety of molecules that exhibit beneficial properties with high potential for various fields of application (e.g., synthetic analog of the dolastatin 10 used against Hodgkin lymphoma). The present review specially focuses on the beneficial activities of cyanobacterial molecules described so far. Based on an analysis of 670 papers, it appears that more than 90 genera of cyanobacteria have been found to produce compounds with potential beneficial activities, most of them belonging to the orders Oscillatoriales, Nostocales Chroococcales, and Synechococcales. The rest of the cyanobacterial orders (i.e., Pleurocapsales, Chroococcidiopsales, and Gloeobacterales) remain poorly explored in terms of their molecular diversity and relative bioactivity. The diverse cyanobacterial molecules presenting beneficial bioactivities belong to 10 different chemical classes (alkaloids, depsipeptides, lipopeptides, macrolides/lactones, peptides, terpenes, polysaccharides, lipids, polyketides, and others) that exhibit 14 major kinds of bioactivity. However, no direct relation between the chemical class and the bioactivity of these molecules has been demonstrated. We further selected and specifically described 50 molecule families according to their specific bioactivities and their potential uses in pharmacology, cosmetology, agriculture, or other specific fields of interest. This up-to-date review takes advantage of the recent progresses in genome sequencing and biosynthetic pathway elucidation, and presents new perspectives for the rational discovery of new cyanobacterial metabolites with beneficial bioactivity.

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

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

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

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

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

The sediments deposited at the lower reaches of 90 medium and minor rivers from 5 states along western India were analysed for mineralogy and, major and trace elements chemistry. Kaolinite followed by minor illite and gibbsite and traces of goethite and, smectite followed by minor kaolinite, illite and chlorite are characteristic of the clays from Archean-Proterozoic (A-P) terrain and Deccan Trap (DT) terrain, respectively. The sediments were depleted with Si, Ca, Mg, Na and K relative to that of Post Archean average Australian Shale. The SiO2/Al2O3 ratio suggests the sediments from A-P terrain resemble lateritic soils, while those from DT terrain are non-lateritic, chemically weathered soils. The weathering indices indicate intensely weathered and compositionally mature sediments from Kerala, Karnataka and Maharashtra and, intermediate to intensely weathered sediments from Goa and Gujarat. The sediments exhibit relatively high Th, U, La, Zr and Hf from A-P terrain and, high Sc, Cr, Co, Ni, V and Ga from DT terrain. The total trace element content (∑TE) was lower for the clay than silt fractions of sediments. The peak high ∑TE occur in the silt fraction of sediments from Kerala and Maharashtra. The Th/U and Rb/Sr ratios are controlled by the intensity of weathering and lithology of source rocks. The standard plots using trace elements reveal intermediate provenance between felsic and mafic source. Clay fractions from both terrains are more mafic implying mafic-component dominated sediments are transported to the adjacent Seas and Oceans. Therefore, it would be challenging to identify the clays transported from granitic terrain in the Oceans, using trace element chemistry.

The availability of petroleum asphalt, derived from non-renewable sources, is steadily declining alongside diminishing petroleum reserves. To reduce reliance on petroleum, alternative renewable natural sources are being explored as both modifiers and replacements for petroleum asphalt, particularly in asphalt binders. This study explores the chemical, rheological, and mechanical properties of Gopal, a bio-asphalt derived from Gondorukem (gum rosin) and crude palm oil (CPO). Two Gopal variants, Gopal-GEM130 and Gopal-GEG90, were analyzed using FTIR and EDX methods, with Pen 60 petroleum asphalt as a control. The results reveal that Gopal-GEG90 and Gopal-GEM130 exhibit 86% chemical similarity to Pen 60 asphalt. Gopal-GEM130 is less toxic and less alkaline compared to Pen 60, while Gopal-GEG90 is less toxic but more alkaline. Both variants fall under the same classification as Pen 60 in terms of rheological properties, with Gopal-GEG90 demonstrating slightly better stripping resistance but lower aging resistance. Gopal-GEM130 showed better stripping resistance and rutting performance, though with lower fatigue resistance and faster aging compared to Pen 60 asphalt. Both bio-asphalt variants align with performance grade PG64S, signifying their potential as alternatives to conventional petroleum asphalt.

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

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

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

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

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

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

NMR spectroscopy, which is based on the phenomenon of nuclear magnetic resonance, has been widely popularized by its application in medical imaging under the name of MRI. In the organic laboratory, the 13C NMR spectrum of a newly synthetized compound remains an essential step in elucidating its structure. For the chemist, the interpretation of such a spectrum, which is a set of chemical shift values, is made easier if he has a tool capable of predicting with sufficient accuracy the carbon shift values from the structure he intends to prepare. As there are few open source methods for accurately estimating this property, we applied our graph machine approach to build models capable of predicting the chemical shifts of carbons. For this study, we have focused on benzene compounds building an optimized model derived from training a database of 10577 chemical shifts originating from 2026 structures which contain up to ten types of atoms other than carbon, namely H, O, N, S, P, Si and halogens. It provides a training root mean squared relative error (RMSRE) of 0.5 %, i.e. a root mean squared error (RMSE) of 0.6 ppm, and a mean absolute error (MAE) of 0.4 ppm for estimating the chemical shifts of the 10k carbons. The predictive capability of the graph machine model is also compared with that of three commercial software on a data set of 171 original benzenic structures (1012 chemical shifts). The graph machine model proves very efficient in predicting chemical shifts with an RMSE of 0.9 ppm, and compares favorably with the RMSEs of 3.4, 1.8 and 1.9 ppm computed with ChemDraw, ACD and MestReNova softwares respectively. Finally, a Docker-based tool is proposed to predict the carbon chemical shifts of benzenic compounds solely from their SMILES codes.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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