Keywords: Chemical Intolerance, Drug Intolerance, Food Intolerance, QEESI, BREESI, Multiple Chemical Sensitivity, Toxicant-induced Loss of Tolerance, Prevalence

Development of the self-cleaning and anti-fogging superhydrophobic coating for aluminum surfaces which is durable in the aggressive conditions has raised tremendous interest in materials science. In this work, by employing chemical etching technique with mixture of hydrochloric and nitric acid, followed by passivation with lauric acid, superhydrophobic aluminum surface was synthesized. The surface morphology analysis reveals the presence of rough microstructures on coated aluminium surface. Superhydrophobicity with water contact angle of 170 ± 3.9° and sliding angle of 4 ± 0.5° is achieved. Surface bounces off the high speed water jet, indicating excellent water-repellent nature of coating. It is also continuously floated on water surface for several weeks, showing excellent buoyancy nature. Additionally, coating maintains its superhydrophobicity after undergoing 100 cycles of adhesive tape peeling test. Its superhydrophobic nature withstands 90° and 180° bending, and repeated folding and de-folding. Coating exhibits the excellent self-cleaning property. In low temperature condensation test, almost no accumulation of water drops on the surface, showing the excellent anti-fogging property of coating. This approach can be applied to any size and shape of aluminium surface and hence has great industrial applications.

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.

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

Background: Poisoning is a challenging medical condition facing health care providers, as it usually results in serious outcomes in terms of morbidities or mortalities. Poisoning is a challenging medical condition facing health care providers, as it usually results in serious outcomes in terms of morbidities or mortalities. The lack of or inadequate information about the circumstances, substances and populations at risk are considered barriers to the actual prevention of poisoning and effective intervention strategies in Saudi Arabia. The aim of the current study was to describe the pattern and determinants of chemical and drug overdose poisoning in Makkah.Subjects and methods: All reports of chemical and drug overdose poisoning delivered to the Environmental Health and Occupational Safety Department in Makkah over two years (2018-2019) were reviewed.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 of Saudi Arabia. Further in-depth studies are needed to elaborate other social and demographic factors associated with chemical and drug overdose poisoning. Public health plans, policies and legislations should be implemented to reduce these factors. 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 about the factors proven in the current study to be significantly related to chemical and drug overdose poisoning.

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.

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

Clove (Syzygium aromaticum L. Myrtaceae) is an aromatic plant widely cultivated in tropical and subtropical countries, rich in volatile compounds and antioxidants such as eugenol, β-caryophyllene, and α-humulene. Clove essential oil has received considerable interest due to its wide application in the perfumery, cosmetic, health, medical, flavoring, and food industries. Clove essential oil has relevant biological activities to human health, including antimicrobial, antioxidant, and insecticide. This review describes the effect of the extraction method (hydrodistillation, steam distillation, ultrasound-assisted extraction, microwave-assisted extraction, cold pressing, and supercritical fluid extraction) on the chemical composition of essential oil and its correlation with their biological activities. Likewise, are summarized the main compounds and their reported biological activities. Furthermore, the main applications in clove essential oil in the food industry are presented. Finally, this review presents the new biological activities such as anti-inflammatory, analgesic, anesthetic, antinociceptive and anticancer, which are beneficial for human health. This review aims to compile the effect of different methods of extracting clove essential oil on chemical composition, food applications, as well as a current description of biological activities of interest to human health. Biological activities have increased interest in research into this essential oil and its future applications in the food or pharmaceutical industry.

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.

In this study, we evaluated the physicochemical and microbial qualities of source and stored household waters in some communities in Southwestern Nigeria using standard methods. Compared parameters include physicochemical constituents; Temperature (T), pH, Total Dissolved Solids (TDS), Total Hardness (TH), Biological Oxygen Demand (BOD), Magnesium ion (Mg²⁺) and Calcium ion (Ca²⁺) and microbiological parameters included Total Coliform Counts (TC), Faecal Coliform Counts (FC), Fungal Counts (Fung C), Heterotrophic Plate Counts (HPC). Comparing Stored and Source samples, the mean values of some physicochemical parameters of most of the stored water samples significantly (P<0.05) exceeded that of Sources and ranged in the following order: T (15.3±0.3^oC - 28.3±0.5^oC), pH (6.4±0.1 - 7.6±0.1), TDS (192.1±11.1 ppm - 473.7±27.9 ppm), TH (10.6±1.7 mg/L - 248.6±18.6 mg/L), BOD (0.5±0.0 mg/L - 3.2±0.3 mg/L), Mg²⁺ (6.5±2.4 mg/L - 29.1±3.2 mg/L) and Ca²⁺ (6.5±2.4 mg/L - 51.6±4.4 mg/L). The mean microbial counts obtained from microbial comparison of different points (Stored and Source) of collection showed that most of the stored water had counts significantly exceeding (P<0.05) those of the source water samples (cfu/100 mL) which ranged as follows: TC (3.1±1.5 - 156.8±42.9), FC (0.0±0.0 - 64.3±14.2) and HPC (47.8±12.1 - 266.1±12.2) across all sampled communities. Also, the predominant isolates recovered from the samples were identified as Escherichia coli, Klebsiella pneumonia, Pseudomonas aeruginosa, Enterobacter aerogenes, Aspergillus spp, Mucor spp, Rhizopus spp and Candida spp. The presence of these pathogenic and potentially pathogenic organisms in the waters and the high counts of the indicator organisms suggest the waters to be a threat to public health.

Pleione is a genus of Orchidaceae and is one of the major sources of Pseudobulbus Cremastrae seu Pleiones (PCsP). It contains many constituents, such as phenanthrene, bibenzyl, glycoside, flavonoid and so on, which have plenty of bioactivities, including anti-tumor, anti-oxidation, anti-inflammatory, lowering glycemic levels and other pharma cological activities. In order to further utilize the edible and medicinal functions of Pleione, and clarify its medicinal active ingredients, this review systematically summarizes the constituents and pharmacological effects of Pleione, which will provide a theoretical foundation for the clinical application and new drug development．

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.

Quasicrystals are a class of ordered solids made of typical metallic atoms but they do not exhibit the physical properties usually signaling the presence of metallic bonding and their electrical and thermal transport properties resemble a more semiconductor-like than metallic character. In this paper I first review a number of experimental results and numerical simulations suggesting that the origin of the unusual properties of these compounds can be traced back to two main features. For one thing, we have the formation of covalent bonds among certain atoms grouped into clusters at a local scale. Thus, the nature of chemical bonding among certain constituent atoms should play a significant role in the onset of non-metallic physical properties of quasicrystals bearing transition-metal elements. On the other hand, the self-similar symmetry of the underlying structure gives rise to the presence of an extended chemical bonding network due to a hierarchical nesting of clusters. This novel structural design leads to the existence of quite diverse wave functions, whose transmission characteristics range from extended to almost localized ones. Finally, the potential of quasicrystals as thermoelectric materials is discussed on the basis of their specific transport properties.

In this study, the effects of food waste (FW) compost, vermicompost, and chemical fertilizers on the growth of organic red radish and soil quality are investigated to promote sustainable agriculture. Utilizing a comparative approach, it assesses the impacts of these fertilizers on various plant growth metrics and soil characteristics, highlighting the potential of converting FW into nutrient-rich amendments as a sustainable alternative to chemical fertilizers. The results indicate a significant variation in fresh weight among different treatments. For example, the FV 25% treatment demonstrated a relatively high mean fresh weight of 7.9664, while the CO 50% treatment yielded a much lower mean fresh weight of 0.2589. These numbers underscore the potential efficacy of specific FW treatments in enhancing plant growth, with VC 50% and FV 25% showing considerable promise in increasing crop yield. The study concludes that FW compost and vermicompost significantly enhance plant growth and soil quality, advocating for their use as sustainable and environmentally friendly alternatives to chemical fertilizers. The findings emphasize the importance of selecting appropriate fertilizer types and concentrations to optimize agricultural productivity and environmental sustainability, supporting the incorporation of FW into agricultural systems as a beneficial resource.

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.

A technology for obtaining nanosized aluminum nitride powder by plasma-chemical synthesis is presented. Nitrogen gas (N2), melamine (C3H6N6) and ammonia (NH3) were used as a source of nitrogen. Aluminum powder of different fractions was used as a source of aluminum. The influence of the nitrogen source, the height of the injector, and the input power of the plasma equipment on the synthesized aluminum nitride powder is shown. The resulting aluminum nitride powder has a size d90=60 nm. The parameters of aluminum nitride synthesis did not in any way affect the granulometric composition of the synthesized powder materials. It was found that, due to the high binding energy, the nitrogen molecule (N2) reacts poorly with aluminum powder particles, as a result a mixture of nitrogen and ammonia gases was used in a ratio of 70/30 (mol.%) for aluminum nitride synthesis.

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.

Cynomorium songaricum is an important endangered plant with significant medicinal and edible values. However, the lack of resources and quality variation have limited the comprehensive developments and sustainable utilization of C. songaricum. Here, we evaluated chemical and genetic traits of C. songaricum from the highly suitable habitat regions simulated with species distribution models. The PCA and NJ tree analyses displayed intraspecific variation in C. songaricum, that could be divided into two ecotypes: ecotype I and ecotype II. Furthermore, the LC-MS/MS-based metabolomic was used to identify and analyze the metabolites of two ecotypes. The results indicated that a total of 589 compounds were detected, 236 of which were significantly different between the two ecotypes. Specifically, the relative content and the kind of flavonoids were more abundant in ecotype I, which were closely associated with the medicinal activities. In contrast, amino acids and organic acids were more enriched in ecotype II, which may provide better nutritional quality and unique flavor. In summary, our findings demonstrate the ecotype division and chemical diversity of C. songaricum in China from different geographical regions and provide a reference for the development of germplasm and directed plant breeding of endangered medicinal plants.

Ranging from traditional food packaging, clothing, and furniture to the current small and large electronic devices and automobiles, plastics serve to fulfill diverse demands in our daily lives. However, the global plastic waste generation is dramatically escalating, currently standing at approximately 150 million metric tonnes annually. While some of regenerated plastics recycled by mechanical methods can be used as their parent plastics, cost and energy savings are limited by multiple preliminary processes such as plastic sorting, shredding, washing, and drying. Moreover, the continuous mechanical recycling process degrades the physical properties of the materials. In this context, chemical recycling is emerging as a promising alternative method due to its high efficiency, simple preliminary steps, reducing reliance on fossil resources, and conversion of plastic waste into value-added chemicals. This review provides a state-of-the-art overview of contemporary chemical recycling of polymeric materials via i) depolymerization: “polymers to small valuable molecules” and ii) closed-loop cycles: “polymers to monomers, and/or to polymers”, by encompassing both traditional/advanced depolymerization chemistries and the remaining challenges. These recycling approaches are contextualized within the present industrial technologies, key design principles, and specific recycling case studies related to distinct polymeric materials.

The present study aims at deposition of zinc phosphate coatings with the incorporation of nano Titanium dioxide particles by chemical phosphating method. Zinc phosphate coatings were developed on low carbon steel by using nano TiO2 in the standard phosphating bath. The Coated low carbon steel samples were assessed for corrosion studies using electrochemical impedance spectroscopy and potentiodynamic polarisation techniques in 3.5% NaCl solution. Chemical composition of the coatings was analysed by energy dispersive X-ray spectroscopy (EDX). Significant variations in the coating weight, porosity and corrosion resistance were observed with the addition of nano TiO2 in the phosphating bath. Corrosion rate of nano TiO2 incorporated chemical phosphate coated samples was found to be 3.5 mpy which was 4 times less than the bare uncoated low carbon steel (~14 mpy). Electrochemical impedance spectroscopy studies revels in the reduction of porosity in nano TiO2 phosphate coated samples. It was found that nano TiO2 particles in the phosphating solution yielded phosphate coatings of higher coating weight, greater surface coverage and enhanced corrosion resistance than the normal zinc phosphate coatings (developed using normal phosphating bath).

The nephrite belt in Altun Mountain-Western Kunlun Mountain region spanning approximately 1300 km in Xinjiang, NW China, constituting the world's largest preeminent nephrite deposit. The Qiemo region in the Altun Mountain is a crucial nephrite-producing area in China with demonstrating substantial prospects for future explorationl. While extant research has extensively study on secondary deposits in the Karakash River and native black nephrite deposits in Guangxi Dahua, a lacuna exists in the comprehensive investigation of black nephrite from original deposits in Xinjiang. Margou nephrite represents a recent discovery of black-toned nephrite deposits in Qiemo County, Xinjiang, warranting a comprehensive investigation into this primary source of black nephrite within the region. This scholarly inquiry deploys a suite of sophisticated analytical techniques, encompassing Polarizing microscope, electric microprobe, Backscattered Electron Image, X-ray Fluorescence, Inductively Coupled Plasma Mass Spectrometry. The rigorous experimental test is dedicated to elucidating the chemical and mineralogical composition, and further clarify the type of its genetic types of black-black cyan nephrite from Margou deposit in Qiemo, Xinjiang. Results delineate the mainly composed of tremolite-actinolite, characterized by Mg/(Mg + Fe2+) ratios ranging from 0.86 to 1.0. Minor minerals include diopside, epidote, pargasite, apatite, zircon, pyrite and iron hydroxide. Bulk-rock rare earth element patterns exhibit distinctive features such as negative Eu anomalies (δEu=0.00~0.17), decreasing light rare earth elements, a relatively flat distribution of heavy rare earth elements, and low with total REE concentrations (1.64~38.9 μg/g), concurrently, the Cr (6~21 μg/g) and Ni (2.5~4.5 μg/g) contents are conspicuously low. The magmatic influence of granite emerges as pivotal factor in the genesis of magnesia skarn hosting the Margou nephrite. The distinctive black-black cyan colour is attributed to heightened iron content, mainly associated with FeO (0.08~6.29%). The discerned chemical composition characteristics posit the Margou nephrite as an exemplar of the magnesia skarn-type nephrite deposit.

Objective: This study aimed to validate the use of liquid phenol-based chemical peeling therapy for cervico-vaginal intraepithelial neoplasia (CIN and VaIN), with the goal of circumventing obstetric complications associated with surgical treatment. Methods: A total of 483 eligible women diagnosed with CIN and/or VaIN participated in this study. Participants underwent phenol-based chemical peeling therapy every 4 weeks until disease clearance. Disease clearance was determined by negative Pap tests for four consecutive weeks. HPV genotyping was conducted at the onset of the study and after disease clearance in select cases. Results: Among the 476 participants (excluding those with cancer), the number of treatment sessions until CIN/VaIN clearance ranged from 2 to 49 (median = 7 sessions). Forty-five participants (9.4%) underwent surgical treatments. Seven participants (1.5%) experienced recurrence, presenting with CIN2/VaIN2 or worse lesions; of these, three underwent LEEP, while four repeated the chemical peeling therapy. No obstetrical complications were noted among the 98 pregnancies following this therapy. The findings suggest that phenol-based therapy is safe and effective for CIN, although it requires numerous and lengthy treatments. Factors associated with resistance to this therapy include immune suppression, high-grade lesions, multiple HPV type infection, and direct or passive smoking.

The study investigated the chemical and functional characterization of propolis collected in southern Italy, in particular in Basilicata, a region rich in ecological and vegetative biodiversity. Sixteen samples of propolis, collected within a radius of 40 km from each other in the Basilicata region, showed significant differences between the chemical and functional parameters investigated: color index (L*, a*, b*; P<0.05), variation in chemical composition and antioxidant activities, by ABTS and FRAP assays. In general, Lucanian propolis had a low content of waxes (P<0.05) and a high content of resin (P<0.05) and balsams (P<0.05). The content of total phenolic compounds and flavonoids were highly variable, as was the biological capacity. In conclusion, Lucanian propolis showed a remarkable variability, highlighting a significant diversification according to the geographical position and the diversity of the flora surrounding the apiary of which the bees use as a source of resin. This study therefore contributes to the enhancement of the quality of propolis, laying the foundations for the production and marketing of propolis not only in the food industry, but also in the pharmaceutical and cosmetic industries.

Single photon ionization (SPI) based on vacuum ultraviolet (VUV) lamps has been extensively investigated and applied due to its clean mass spectra as a soft ionization method. However, the photon energy of 10.6 eV and photons flux of 106 photons/s of commercial VUV lamp limits its range of ionizable analytes as well as sensitivity. This work designs a chemical ionization focusing integrated (CIFI) ionization source time-of-flight mass spectrometry (TOFMS) based on VUV lamp for the detection of volatile organic compounds (VOCs) and oxygenated volatile organic compounds (OVOCs). The photoelectrons obtained from the VUV lamp through the photoelectric effect ionized the oxygen in the air to obtain the reagent ions O2+, and segmented quadrupole constituted the ion-molecule-reaction region (IMR) and radially focused the ions using a radio-frequency electric field, which improved the yield and transport efficiency of the sample ions and the sensitivity of mass spectrometry, resulting in 44-fold and 1154-fold increase in signal response to benzene and pentanal, respectively. To verify the reliability of the ionization source, the linear correspondence and repeatability of benzene and pentanal were investigated. Satisfactory dynamic linearity was obtained in the concentration range of 5-50 ppbv, and daytime RSD reached 3.91% and 6.26%, respectively. Finally, the CIFI ionization source TOFMS was applied to the determination of OVOCs, and the LOD of 12 types of OVOCs can reach the pptv level, indicating that the ionization source has the potential for accurate and sensitive online monitoring of atmospheric OVOCs.

Due to the content of biologically active substances, sea buckthorn (Hippophae rhamnoides L.) is of growing interest to scientists, the food industry, pharmaceuticals, cosmetology and consumers. The aim of this study is to investigate the correlation between the chemical composition (Carotenoid content (CC), Ascorbic acid content (AAC), Total dry matters (TDM), Titratable acidity (TA), pH, Organic acids (OA)) and the Antibacterial effect (AA) (Diameter of the inhibition zone in mm of Bacillus pumilus) of four species of sea buckthorn (Clara, Dora, Cora, Mara), cultivated in the Republic of Moldova. The sea buckthorn species tested was found to have a different Carotenoid content (1.79±0.43 … 48.92±0.61 mg/100g), Ascorbic acid content (74.36±0.60 … 373.38±2.29 mg/100g), Organic acids (malic acid 5.8±0.02 ... 13.4±0.01 mg/100g, citric acid 0.08±0.00 ... 0.32±0.01 mg/100g, succinic acid 0.03±0.00 ... 1.1±0.00 mg/100g), Total dry matters (16.71±0.05 … 24.54±0.09 %), Total acidity (2.15±0.05 ... 8.76±0.00 %), and pH value (2.73±0.02 ... 3.00±0.07). The microbial activity of sea buckthorn, evaluated by the diameter of the inhibition zone, constituted for Bacillus pumilus (3.70…15.91mm/g-1 for whole sea buckthorn fruits and respectively 13.33…26.67 mm/g-1 for sea buckthorn puree).

This paper examines whether classical extensional mereology is adequate for formalizing the whole-parts relation in quantum chemical systems. Although other philosophers have argued that classical extensional and summative mereology does not adequately formalize whole-parts relation within organic wholes and social wholes, such critiques often assume that summative mereology is appropriate for formalizing the whole-parts relation in inorganic wholes such as atoms and molecules. However, my discussion of atoms and molecules as they are conceptualized in quantum chemistry will establish that standard mereology cannot adequately fulfill this task, since the properties and behavior of such wholes are context-dependent and cannot simply be reduced to the summative properties of their parts. To the extent that philosophers of chemistry have called for the development of an alternative mereology for quantum chemical systems, this paper ends by proposing behavioral mereology as a promising step in that direction. According to behavioral mereology, considerations of what constitutes a part of a whole is dependent upon the observable behavior displayed by these entities. Thus, relationality and context-dependence are stipulated from the outset and this makes behavioral mereology particularly well-suited as a mereology of quantum chemical wholes. The question of which mereology is appropriate for formalizing the whole-parts relation in quantum chemical systems is relevant to contemporary philosophy of chemistry, since this issue is related to the more general question of the reducibility of chemical wholes to their parts and of the reducibility of chemistry to physics, which have been of central importance within the philosophy of chemistry for several decades. More generally, this paper puts contemporary discussions of mereology within the philosophy of chemistry into a broader historical and philosophical context. In doing so, this paper also bridges the gap between formal mereology, conceived as a branch of formal ontology, and ‘applied’ mereology, conceived as a branch of philosophy of science.

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.

With the COVID-19 pandemic behind us, the U.S. Food and Drug Administration (FDA) has approved 55 new drugs in 2023, a figure consistent with the number authorized in the last five years (53 per year on average). Thus, 2023 is the second-best FDA harvest after 2018 (59 approvals) in all the series. Monoclonal antibodies (mAbs) continue to be the class of drugs with most approvals, with an exceptional 12, a number that makes it the most outstanding year for this class. As in 2022, five proteins/enzymes have been approved in 2023. However, no antibody–drug conjugate (ADC) has been released onto the market. With respect to TIDES (peptides and oligonucleotides), 2023 has proved a spectacular year, with a total of nine approvals, corresponding to five peptides and four oligonucleotides. Natural products continue to be the best source of inspiration for drug development, with 10 new products on the market. Three drugs in this year’s harvest are pegylated, which may indicate the return of pegylation as a method to increase the half-lives of drugs, after the withdrawal of peginesatide from the market in 2013. Following the trends of recent years, two bispecific drugs have been authorized in 2023. As in preceding years, fluorine and/or N-aromatic heterocycles are present in most of the drugs. Herein, the 55 new drugs approved by the FDA in 2023 are analyzed exclusively on the basis of their chemical structure. They are classified as the following: biologics (antibodies, proteins/enzymes); TIDES (peptide and oligonucleotides); combined drugs; pegylated drugs; natural products; nitrogen aromatic heterocycles; fluorine-containing molecules; and other small molecules.

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.

Cenospheres are hollow particles in fly-ash, a by-product of coal burning, and are widely used as reinforcement for developing low density composites called syntactic foams. This study investigates the physical, chemical, and thermal properties of cenospheres obtained from 3 different sources, CS1, CS2, and CS3, for the development of syntactic foams. Description of floatation method to separate broken particles is given, and it was seen that up to 11 % of the particles were damaged. Post heat treatment samples show development of SiO2 phase in the cenosphere, which is not present in the as received product. CS3 had the highest quantity of Si element, compared to the other two, showing the difference in the source quality. The particle size distribution for CS2 is very narrow while for the others is much broader. All censopheres have porous walls but the morphology of CS2 is the most uniform and smooth. For the application of metallic layer and subsequent consolidation via spark plasma sintering, CS2 was deemed the most physically, thermally, and chemically suitable.

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.

Strontium (Sr) is a trace element in human body that able to promote bone formation and inhibit bone absorption. The conversion coating of strontium phosphate (Sr-P) on the surface of titanium (Ti) can improve its biological properties, and has a wide application prospect in the fields of dentistry and orthopedics. In this present study, Sr-P coatings with SrHPO4 and Sr3(PO4)2 crystals on Ti are prepared by phosphate chemical conversion (PCC) treatment. And the effect of pH on the properties of Sr-P coatings is researched. The results prove that phase composition, morphology and corrosion resistance of coated Ti are different with the pH values in PCC solution. The morphologies of conversion deposition on Ti change from plat-like to cluster-like, and then homogeneous microcrystals, as pH value changed from 2.50 to 3.25. Only discrete SrHPO4 crystals are generating on substrate at lower pH value, while relative stable Sr3(PO4)2 and SrHPO4 crystals are growing and subsequently forming an integrated coating on Ti as pH is higher than 2.50. The corrosion resistance of coated Ti improves comparing with that of bare Ti because of forming Sr-P coatings with Sr3(PO4)2 phase. In addition, it is indicated that the Sr-P coatings can improve the adhesion and differentiation of BMSCs.

Bee products have a millennial tradition in human use due to their numerous heal-ing properties. The paper presents the chemical characterization, antioxidant, anti-microbial and anti-inflammatory potential of royal jelly, apilarnil and propolis. These were obtained in the Banat area, Romania, in 2022. Royal jelly and apilarnil were analyzed in pure and lyophilized form and propolis in pure form and tincture. The percentage of moisture, dry matter, pH, acidity, content of impurities, sugars, proteins, ash, macro and micro minerals, total amino acids, polyphenols and flavo-noids were studied. The samples analyzed by us have a very well developed antiox-idant and according to the analysis of the mineral content of beekeeping products, an increased variability of macro and microminerals was determined, but also the lack of Pb in their composition. The flavonoid content of the samples was between 2.61519 mg QE/g sample for commercial pure apilarnil and 279.56115 mg QE/g sample for propolis harvested in 2021, and that of polyphenols between 0.63507 mg QE/g sample for natural royal jelly and 42.82186 mg QE/g sample in propolis with harvest in 2021. Propolis acts as a good antimicrobial and antiinflammatory agent, a fact that deserves to be researched in detail and exploited as a product with an ap-itherapeutic role for various microbial and inflammatory conditions.

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

Of the manifold concepts in drug discovery and design, covalent drugs have re-emerged as one of the most promising over the past 20-or so years. All such drugs harness the ability of a covalent bond to drive an interaction between a target biomolecule, typically a protein, and a small molecule. Formation of a covalent bond necessarily prolongs target engagement, opening avenues to targeting shallower binding sites, protein complexes, and other difficult to drug manifolds, amongst other virtues. This opinion piece discusses frameworks around which to develop covalent drugs. Our argument, based on results from our research program on natural electrophile signaling, is that targeting specific residues innately involved in native signaling programs are ideally poised to be targeted by covalent drugs. We outline ways to identify electrophile-sensing residues, and discuss how studying ramifications of innate signaling by endogenous molecules can provide a means to predict drug mechanism and function and assess on- versus off-target behaviors.

Mammalian cells maintain the complex glycerophospholipid (GPL) class compositions of their various membranes within close limits because this is essential to their well-being or viability. Surprisingly, however it is still not understood how those compositions are maintained except that GPL synthesis and degradation closely coordinated. Here, we hypothesize that abrupt changes in the chemical activity of the individual GPL classes coordinate the synthesis and degradation, as well other homeostatic processes. A previously proposed model proposed that in cellular membranes only a limited number of “allowed” or optimal GPL glass compositions exist because they are energetically more favorable than the other compositions, i.e. they represent local free energy minima (Somerharju et al. 2009). This model, however, could not satisfactorily explain how the optimal compositions are sensed by the key homeostatic enzymes i.e., the rate-limiting synthetizing enzymes and the degrading enzymes (i.e., homeostatic phospholipases). We now propose that when the mole fraction of a GPL class exceeds an optimal one, its chemical activity abruptly increases, which (i) increases its propensity to efflux from the membrane thus making it susceptible for hydrolysis by homeostatic phospholipases, (ii) increases its potency to inhibit its own biosynthesis via a feedback mechanism, (iii) enhances its conversion to another GPL class via a novel process termed “head group remodeling” or (iv) enhances its translocation to other subcellular membranes. Accordingly, abrupt changes in the chemical activity of the individual GPL classes is proposed to regulate and coordinate those four processes maintaining GPL class homeostasis in mammalian cells.

Henry’s constants for different existing compounds in water have great importance in transfer calculations. Measurement of these constants face different difficulties including high costs of experiment and low accuracy of measurement apparatus. Due to these facts, proposing a low cost and accurate approach becomes highlighted. To this end, adaptive neuro-fuzzy inference system (ANFIS) and least squares support vector machine (LSSVM) have been used as Henry’s constant predictor tools. The molecular structure of compounds has been used as inputs of models. After training the models, the visual and mathematical studies of outputs have been done. The coefficients of determination of LSSVM and ANFIS algorithms are 0.999 and 0.990 respectively. According to the comprehensiveness of databank and accurate prediction of algorithms, it can be concluded that LSSVM and ANFIS algorithms are accurate methods for prediction of Henry’s constant in wide range of chemical structure of compounds in water.

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.

Mimosa bush (Vachellia farnesiana) is an invasive woody weed widely distributed in Australia. While it can be controlled using several mechanical and chemical techniques, this study evaluated a novel new herbicide delivery mechanism that minimizes the risk of spray drift and potential non-target damage. It was developed by Bioherbicides Australia and involves the implantation of encapsulated granular herbicides into the stem of intact plants or into the stump after cutting off plants close to ground level (cut stumped). Trials were implemented near Moree (NSW, Australia) on intact (two trials) plants and cut stumped (two trials) plants. For each trial, an untreated control plus the conventional basal bark application of a liquid formulation of triclopyr/picloram mixed with diesel was included for comparison. Encapsulated glyphosate, aminopyralid/metsulfuron-methyl, hexazinone and clopyralid were also tested in all trials. In addition, triclopyr/picloram, and metsulfuron-methyl were included in at least one of the whole plant trials. Aminopyralid/metsulfuron-methyl was consistently most effective at controlling intact plants, whilst aminopyralid/metsulfuron-methyl and clopyralid provided highest mortality when applied to cut stumps of mimosa bush. Overall, highest efficacy was achieved on single stemmed plants, but with some further refinement of the technique it should be possible to achieve similar results for multi-stemmed species.

Conyza canadensis is a species invading large agricultural areas throughout the world, mainly to its ability to evolve herbicide resistance. Specifically, in Hungary, extensive areas have been infested by this species due to the difficulty in controlling it with glyphosate. To corroborate this fact as resistance and not as an incorrect herbicide application, eight suspicious glyphosate-resistant C. canadensis populations from different Hungarian regions were studied. In dose-response assays with glyphosate, the LD50 and GR50 values indicated that populations 1 to 5 were resistant to this herbicide (H-5 population the most resistant). Besides, the shikimic acid accumulation tests corroborated the results observed in the dose-response assays. 11 alternative herbicides from 6 different mode of action (MOA) were applied at field doses as control alternatives on populations H-5 and H-6 (both in the same regions). The H-5 population showed an unexpected resistance to flazasulfuron (ALS-inhibitor). The ALS enzyme activity studies indicated that the I50 for H-5 was 63.3 fold higher compared to its correspondent susceptible population (H-6). Therefore, the H-5 population exhibited multiple-resistance to flazasulfuron and glyphosate, being the first case reported in Europe for this two MOA. For that reason, the other herbicides with different MOA have to be tested here.

In this paper, a novel synthesis for a chemical precursor for nanocrystalline VO2 coatings is elaborated. The compatibility of the precursor towards the substrate is optimized for spin coating. This is done by subjecting multiple solvents to contact angle measurements. A suitable thermal treatment is developed to densify the coating and to induce crystallization. Afterwards the microstructure of the coating is investigated using X-Ray diffraction, electron microscopy and ellipsometry techniques. To assess the thermochromic properties of the fabricated device, optical transmission experiments were conducted both at room temperature and at elevated temperature. A correlation between these thermochromic properties and coating thickness was investigated in order to obtain an optimized thermochromic device, where both high visual transparency and prominent thermochromic switching abilities are aimed for. In this work, an optimal coating thickness is proposed for a thermochromic coating with high switching ability and solar modulation.

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.

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.

Arsenic, an element of environmental impact, can be incorporated into jarosite–type compounds and remain stabilised within the structure under a wide range of environmental conditions. In this study, a sample of ammonium–arsenic jarosite was synthesised by precipitation in sulphate medium at controlled pH of 1.2–1.8. The behaviour of arsenic during the thermal and chemical decomposition of jarosite was analysed; the degradation in alkaline medium of jarosite was also studied. According to the results, the synthesised jarosite is composed of joined rhombohedral crystals, forming tightly spherical shaped particles, 37–54 μm size. The ammonium jarosite produced possessed a high arsenic concentration; its calculated stoichiometry being (NH₄)Fe_2.45[(SO₄)_1.80(AsO₄)_0.20][(OH)_4.15(H₂0)_1.85]. It was found that arsenic is stabilised in the jarosite structure; upon heating, it remains in residual solids above 700°C, whilst in alkaline medium an incongruent dissolution takes place, with the arsenic retained in the solid phase along with iron. These solids, when exposed to high temperatures (1200°C), transform into a type of iron oxide known as hematite, so with arsenic it is retained an iron compound forming a stable compound which withstands high temperatures.

Tributyltin (TBT) is an environmental contaminant present on all continents, including Antarctica, with a potent biocidal action. Its use began to be intensified during the 1970s, being effectively banned in 2003, but remaining in the environment to this day due to several factors that increase its half-life and misuse despite the bans. In addition to the endocrine disrupting effect of TBT, that may lead to imposex induction in some invertebrate species, there are several studies that demonstrated that TBT also has an immunotoxic effect. The immunotoxic effects that have been observed experimentally in vertebrates using in vitro and in vivo models involve different mechanisms, but mainly alterations in the expression and/or secretion of cytokines. In this review, we summarize and update the literature on the impacts of TBT on the immune system, as well as discuss what still needs to be done to fill the knowledge gaps regarding the impact of this endocrine disrupting-chemical on immune system homeostasis.

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.

Thymus is an herbaceous perennials or subshrubs of the Lamiaceae family and is widely distributed worldwide. Essential oils extracted from thymus have attracted much attention owing to their potential biological functions. Here, we evaluated the chemical compositions of eight thyme essential oils (TEOs) using gas chromatography-mass spectrometry and assessed their antioxidant activity and in potential role in antibacterial and tumor therapy. The results showed that (1) the main components in eight TEOs were monoterpene hydrocarbons and oxygenated monoterpenes, and the chemical compositions of TEOs were affected by the specie factor; (2) eight TEOs could be divided into 3 groups (thymol-, geraniol-and nerol acetate-type), and thymol was main type; (3) eight TEOs had some common compounds, such as thymol and p-cymene, which were the main components in seven TEOs; (4) eight TEOs had antioxidant activit, and thymol-type EOs had strong antioxidant activity, while geraniol-type EOs had relatively weak antioxidant activity. In addition, it was found thymol had strong antibacterial activity against the growth of Escherichia coli and Staphylococcus aureus, and antimigratory activity of A549 cell. Overall, our results can provide theoretical basis for further exploring the function of natural products from thyme essential oils.

Detection of formaldehyde is very important in terms of life protection, as it can cause serious injury to eyes, skin, mouth and gastrointestinal function if indirectly inhaled and hence researchers are putting effort in developing novel and sensitive device. In this work, we have fabricated an electro-chemical sensor in the form of a field effect transistor (FET) to detect formaldehyde over wide range (10 nM to 1 mM). For this, ZnO nanosheets (NS) were first synthesized by hydrothermal method with in-situ deposition on cleaned SiO₂ coated Si (100) substrate. The synthesized materials were characterized for morphology and purity and surface area (31.718 m²/g). The developed device was tested for formaldehyde detection at room temperature that resulted in a linear response with concentration (96%), sensitivity value of 0.27 mA/M/cm² and a low detection limit of 210 nM, and a high 0.93194 return.

For every three people on the planet there is approximately two Tonne (Te) of available plastic waste. We show that carbon recovery from polystyrene (PS) plastic is enhanced by the co-addition to solvents to grow carbon nanotubes (CNTs) by liquid injection chemical vapour deposition. Polystyrene was loaded up to 4 wt% in toluene and heated to 780 °C in the presence of a ferrocene catalyst and a hydrogen/argon carrier gas in a 1:19 ratio. High resolution transmission electron microscopy (HRTEM), scanning electron microscopy (SEM), thermogravimetric analysis (TGA) and Raman spectroscopy were used to identify multi-walled carbon nanotubes (MWCNTs). The PS addition in the range from 0 to 4 wt% showed improved quality and CNT homogeneity; Raman “Graphitic/Defective” (G/D) values increased from 1.9 to 2.3; mean CNT diameters increased from 43.0 to 49.2 nm; and maximum CNT yield increased from 11.3% to 14.2%. Since both the CNT diameters and the percentage yield increased with respect to polystyrene addition, we conclude that carbon from the PS contributes to the carbon within the MWCNTs. The electrical contact resistance of acid washed Bucky papers produced from each loading, ranged from 2.2 to 4.4 Ohm, with no direct correlation to PS loading. Due to this narrow range, the materials with different loading were mixed to create six wires of an Ethernet cable and tested using iPerf to give uplink and downlink speeds of ~99.5 Mbps, comparable to Cu wire of identical dimension (~99.5 Mbps). The lifecycle assessment (LCA) of CNT wire production was compared to copper wire production for the use case in a Boeing 747-400 over the lifespan of the craft. Due to their lightweight nature the CNT wires decreased the CO2 footprint by 21 kTonne (kTe) over the aircraft lifespan.

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.

We introduce a number of techniques in quantitative convergent-beam electron diffraction under development by our group and discuss the basis for measuring interatomic electrostatic potentials (and therefore also electron densities), localised at sub-nanometre scales, with sufficient accuracy and precision to map chemical bonds in and around nanostructures in nanostructured materials. This has never before been possible as experimental measurements of bonding in quantum crystallography have hitherto always been restricted to homogeneous single-phased crystals.

The chlorophyll content and mineral compositions of plants are highly dependent on the species' physiological responses and environmental stress tolerance. The chlorophyll content is important for determining abiotic stress tolerance in tomatoes and peppers. Several studies found that foliar applications of specific components increased tomato and pepper output by increasing nutrient uptake. After transferring the seedlings to the incubator, three tomatoes (Mobil, Korall, and Tyking F1) and three pepper varieties (Carma, Fokusz, and Bobita F1) were sprayed. The following solutions were applied at a rate of 4 mL to each different plant: sodium bicarbonate (0.52%), 50 mg L-1 salicylic acid, and distilled water. A chlorophyll sensor (SPAD-502) was used to collect 5 measurements from each plant after 2 days and 8 days of spraying. Five plant sap samples were collected from ten plants after 38 days of transplantation. The calcium ion (Ca+2), potassium ion (K+), and nitrate (NO3-) contents (mg L-1) in plant sap were measured using three calibrated electronic sensors of the type (HORIBA instruments LAQUA-TWIN). The factorial analysis of two factors was used in data collection and statistical analysis. The first variable was the variety and the second was the spray treatment, and each record had five observations. The Tukey-Kramer test in Minitab 20 was used to assess differences in means between groups. Minitab 20's regression response optimizer was used to determine the maximum and minimum responses to calcium, potassium, nitrate, and chlorophyll content factors in each plant. Salicylic acid 50 mg L-1 produces the strongest multiple responses, particularly in tomato cultivars (Tyking F1 and Korall). The multiple minimum responses were for the variety (Mobil). Spraying (Mobil) with salicylic acid (50 mg L-1) and sodium bicarbonate (0.52%) produced unsatisfactory results. Salicylic acid 50 mg L-1 elicits also the most powerful multiple responses, particularly in the (Carma) pepper cultivar. The results revealed multiple minimum responses for the variety (Bobita F1). Finally, it is recommended that growers grow tomatoes (Mobil) without any supportive spraying treatment because the vigor of tomato (Mobil) seedlings was significantly higher in suboptimal environmental conditions. Gardeners should consider growing (Carma) pepper with a supportive spraying application of salicylic acid 50 mg L-1.

Abstract: Chemical burns are one of the most dangerous and aggressive types of burns as they can cause significant tissue damage, leading to pain, inflammation, necrosis, and scarring. We present a burn case report associated with the use of Acellular Dermal Matrix (MatriDerm® MedSkin Solution Dr. Suwelack AG, Billerbeck, Germany) for the reconstruction of a Hallux after the patient was mistakenly administered intramuscular Nitric Acid at another institution. The patient presented with a third degree burn that compromised the medial aspect of the hallux’s skin, the distal phalanx and nail bed. Early debridement was performed, and Negative Pressure Wound Therapy (NPWT VAC, 3M, US) was used to preserve and promote tissue viability. Eight days later, the patient was taken to the OR, and Acellular Dermal Matrix and split-thickness skin graft were used to reconstruct her right hallux’s defect. The patient achieved adequate clinical evolution and was discharged with complete reconstruction of the burned area. Acellular Dermal Matrix proved to be an important and viable option for reconstructive surgery after a chemical burn, and further studies are warranted to ensure its routine usage in this kind of lesions. Keywords: chemical burn, acellular matrix, hallux reconstruction, NPWT

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

This work investigated the effect of temperature and acid or alkalis chemical activation by pyrolysis of Açaí seeds (Euterpe Oleraceae, Mart.) on the yield of bio-oil, hydrocarbon content of bio-oil, and chemical composition of aqueous phase. The experiments were carried out at 350, 400, and 450 °C and 1.0 atmosphere, KOH and HCl activation, in laboratory scale. The acidity of bio-oils and aqueous phases determined by AOCS methods, while the chemical composition of bio-oils and aqueous phase by GC-MS and FT-IR. The bio-char characterized by XRD. For the activation with KOH, the XRD analysis identified the presence of Kalicinite (KHCO3), the dominant crystalline phase in bio-char, while an amorphous phase was identified in bio-chars for the activation with HCl. The yield of bio-oil, for the pyrolysis of Açaí seeds activated with KOH, varied between 3.19 and 6.79 (wt.%), showing a smooth exponential increase with temperature. The acidity of bio-oil varied between 12.3 and 257.6 mgKOH/g, decreasing exponentially with temperature, while the acidity of aqueous phase lies between 17.9 and 118.9 mgKOH/g, showing and exponential decay behavior with temperature, demonstrating that higher temperatures favor not only the yield of bio-oil but also bio-oils with lower acidity. For the pyrolysis experiments activated with HCl, the yield of bio-oil varied between 2.13 and 3.37 (wt.%), decreasing linearly with temperature, while that of gas phase varied between 17.91 and 37.94 (wt.%), increasing linearly with temperature. The acidity of bio-oil varied between 127.1 and 218.5 mgKOH/g, increasing with temperature, showing that higher temperatures did not favor the yield of bio-oil and bio-oils acidity. For the chemical activation with KOH, the FT-IR analysis of bio-oils identified the presence of chemical groups characteristics of hydrocarbons and oxygenates, while that of aqueous phase only groups characteristics of oxygenates. For the chemical activation with HCl, the FT-IR analysis of bio-oil and aqueous phases identified only the presence of groups characteristics of oxygenates. For the experiments with KOH activation, the GC-MS of bio-oil identified the presence of hydrocarbons (alkanes, alkenes, cycloalkanes, cycloalkenes, and aromatics) and oxygenates (carboxylic acids, phenols, ketones, and esters). The concentration of hydrocarbons varied between 10.19 to 25.71 (area.%), increasing with temperature, while that of oxygenates from 52.69 to 72.15 (area.%), decreasing with temperature. For the experiments with HCl activation, the GC-MS of bio-oil identified only the presence of oxygenates. Finally, it can be concluded that chemical activation of Açaí seeds with KOH favors the not only the yield of bio-oil but also the content of hydrocarbons while activation with HCl produced bio-oils with only oxygen compounds.

Although the effect of thermal modification (TM) on teak wood color is well documented, a few studies were carried out in closed system processes, as well as it remains unclear the effect of different processes on the same material. This work aimed to verify the effect of closed and open system processes of TM on the color of fast-growing teak wood. Thermally modified wood was evaluated in a closed system at 160 °C (CS160) and in an open system at 185 °C and 210 °C (OS185 and OS210). We measured the moisture content (initial and final) of wood, and the corrected mass loss (CML). The chemical analyses encompassed the contents of alpha-cellulose, hemicelluloses, lignin, and extractives (total, in acetone and dichloromethane). Wood color was measured before and after TM according to the CIEL*a*b* color space. It was possible to achieve the same color using different processes of thermal modification (CS160 and OS210). TM reduced wood lightness (L*), red-green chromaticity coordinate (a*), and yellow-blue chromaticity coordinate (b*). L* and a* had the bigger and lower variations, respectively. The color of thermally modified wood was significantly changed, even at the mildest condition tested (OS185, 0.33% CML).

Chemical safety is related to public health, safety and environmental concerns, and the dangerous chemicals safety problem is becoming the one that people commonly pay attention to. Strengthening chemical safety supervision not only involves safe production, but also is an important link to maintain social safety. Most related studies focus on chemical safety under normal regulation, this paper addresses the perspective of ‘special rectification’ and ‘normal regulation’, and establishes an evolutionary game model between chemical enterprises and government supervision departments under different supervision modes. Based on the evolutionary game theory, this paper studies the evolution process of the two game players' strategy choices, and compares and analyzes the evolution, stability and equilibrium between the chemical safety and the behavior strategies of government regulatory departments. The model is effectively analyzed based on numerical simulation, and the results show that: Under the ‘special rectification’ mode, the strategic choice of chemical enterprises engaging in safety without investment depends on the difference between the benefits and costs of safety without investment; In the ‘normal regulation’ mode, the choice of its safety non-investment strategy depends on the difference between the cost of engaging in safety investment and the cost of safety non-investment; Increasing the government's punishment will encourage chemical enterprises to take safety investment behavior under the two supervision modes. Increasing the punishment has a significant impact on the safety investment behavior of chemical enterprises under the ‘normal regulation’ mode, but it has no significant impact on the behavior of chemical enterprises under the ‘special rectification’ mode. At the same time, increasing the punishment will inhibit the strict supervision behavior of the government. The research conclusion provides important decision support for government departments to effectively supervise the safety production of chemical enterprises.

Abstract: The chemical mechanical polishing (CMP) has been widely used for surface modification of critical materials and components and provided global planarization of topography with a low post-planarization slope high quality and efficiency. The colloidal silica slurries play an important role in the finishing processes of optical components. Monodisperse mesoporous silica nanospheres were synthesized with different surfactant by Stöber method. Their architectural features and texture parameters were characterized by XRD, FTIR, N2 adsorption–desorption isotherms, SEM, XPS, and TGA techniques. The spherical SiO2 products presented with the controllable 50-150 nm particle size and distribution. The AFM micrographs reveal that flat and smooth surfaces without distinct scratches residual particles are achieved by using the as-obtained composite particles as abrasives[The particle size of SiO2 slurry plays a critical role in the chemical-mechanical polishing process.

The aim of the study was to verify whether a 20 and 40% reduction of nitrogen (N) fertilization rate will be sufficient to maintain soil basic chemical features, fertility, and yielding in monoculture maize cultivation in the no-tillage (NT) system versus the traditional plowing (PL) system. In addition, it was examined which tillage system (PL, NT) allows reduction of fertilization while maintaining good yields of the tested soils. Two fields (10 ha each) were established for PL and NT maize cultivation and 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 and biological parameters (i.e. pH, forms of nitrogen, phosphorus and carbon, content of selected macronutrients and humic substances, respiration activity) were monitored during the experiment. It was evidenced that the 20% reduction in N fertilization does not have an adverse effect on the chemical and biological characteristics of soils. In turn, the maize yield was mainly the result of both the tillage system and the N rate, i.e. it was significantly higher in the PL system.

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

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

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.

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

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

Citrus essential oils (EOs) have various bioactivities like antioxidants, with many applications. Antioxidant activities depend on the chemical compositions of the EOs, which are affected by climate, soil, and geographical region. Thus, investigations on chemical compositions and antioxidant activities of Citrus EOs in different countries are valuable. In this study, we distilled EOs from peels of Indonesian-grown Citrus, including C. nobilis, C. limon, C. aurantifolia, C. amblycarpa, and Citrus spp.Chemical compositions of EOs were analyzed using Gas Chromatography-Mass Spectrometer (GC-MS), whereas the antioxidant activities were determined by employing 2,2-diphenyl-2-picrylhydrazyl (DPPH) method. Furthermore, principal component analysis (PCA) was applied to elucidate the main contributing compounds for antioxidant activity. The results show that all EOs possess unique chemical characteristics, with limonene as the majority constituent. For antioxidant activities, C. limon and C. amblycarpa EOs are the two strongest, IC50 values below 7.00 μL/mL. PCA approach suggests that -terpinene mainly contributes to the high antioxidant activities of C. limon and C. amblycarpa. Moreover, o-cymene, thymol, p-cymene, and α-pharnesene may also be responsible for the antioxidant activity of C. limon EO. These results are valuable information for the applications of Citrus EOs as antioxidant sources.

With the evolution of toxic chemicals continuing to progress, developing methods for the destruction of chemical warfare agents (CWAs) has become an increasingly important research topic. Metal-organic frameworks (MOFs) are a class of porous crystalline solids that have sparked interest in this area. Due to their exceptional porosities and large surface areas, MOFs possess superior adsorption, reactivity, and catalytic abilities, making them structurally ideal candidates for the capture and decomposition of target species. Additionally, the tunable networks of MOFs allow their chemical functionalities to be customized for various applications and operating conditions, making them practicable in personal protective equipment and adjustable to dynamic environments. This paper reviews experimental and computational studies on CWA removal by MOFs, with a special emphasis on nerve agent (GB, GD, and VX) removal via hydrolysis and sulfur mustard (HD) removal via selective photooxidation. With extraordinary structural stability and reusability, zirconium-based MOFs are the most promising materials for hydrolytic and photooxidative degradation of CWAs and are thus the primary focus of this work. First-principles approximations of the intrinsic catalytic reaction mechanisms towards different agents in Zr-MOFs are summarized, and developments in the structure-property relationships governing Zr-MOF design rules for efficient degradation in the aqueous and solid phases are discussed. We also examine recent progress in tuning and functionalizing MOFs to promote practical CWA removal under realistic battlefield conditions.

Cocoa beans of the CCN-51 clone harvested in the Tumaco region (Nariño, Colombia) were fermented following four different treatments: (1) spontaneously (at room temperature for 120 h) in traditional conditions (Control); (2) traditional processing with a pre-drying (sun-dried for 24 h) treatment (PD); (3) with fermentation (for 120 h) after inoculation of a yeast starter culture (YS); and (4) including both treatments, pre-drying and yeast inoculation (PD+YS). Chemical composition, fatty acids, total polyphenol, methylxanthines (theobromine and caffeine) and lactic acid content of cocoa beans were determined. Chemical and fatty acid composition and theobromine content were not affected by the different fermentation treatment applied. When analysing total polyphenol content, YS and PD+YS treatments significantly increased the content of these compounds at the end of the fermentation process, while PD treatment decreased the caffeine content of cocoa beans. Finally, lactic acid content decreased as a consequence of both inoculation of yeast starter and mainly the pre-drying treatment. In conclusion, solar pre-drying in the open air and the inoculation of a yeast starter treatments could improve the final quality of coca beans.

The chemical graph theory is a subfield of mathematical chemistry which applies classic graph theory to chemical entities and phenomena. Chemical graphs are main data structures to represent chemical structures in cheminformatics. Computable properties of graphs lay the foundation for (quantitative) structure activity and structure property predictions - a core discipline of cheminformatics. It has a historic relevance for natural sciences, such as chemistry, biochemistry and biology, and is in the heart of modern disciplines, such as cheminformatics and bioinformatics. This review first covers the history of chemical graph theory, then provides an overview of its various techniques and applications for CASE, and finally summarises modern tools using chemical graph theory for CASE.

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

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.

Man-made chemicals have played an important role in the development of our modern society. They have revolutionized such areas as healthcare and farming and they are essential in the manufacture of a wide range of consumer products. In studying the behavior of radionuclides and metals in the bottom sediment-water system, special attention is paid to identifying the forms of existence of pollutants in terms of substantiating their migration ability and, as a result, the po-tential for their subsequent spread, i.e. secondary pollution. On the example of bottom sediments of the Yenisei River, such radionuclides as K-40, Cs-137 are shown to be present mostly in the undecomposed residue. Eu-252 and Am-241 are associated with the organic component of bottom sediments, consisting of plant and animal remains, as well as soil washed away from the floodplain part of the river bed. The radionuclide Co-60, depending on the mineralogical composition of bottom sediments, can either be almost evenly distributed between the undecomposed residue and organic matter, or dominate in the undecomposed residue. Thus, it is shown that man-made ra-dionuclides can have a high tendency to migrate, both in the thickness of bottom sediments and between such phases as bottom sediments and water.

The contexts where there is mining and agriculture activities are potential sources of risk to human health due to contamination by chemical mixtures. This study explored the association between the frequency of micronuclei and pesticides in regions with ferronickel (Montelibano, Córdoba) and gold (Nechí, Antioquia) mining, and a closed native mercury mine (Aranzazu, Caldas). A cross-sectional study was carried out with 247 residents in the mining regions. Sociodemographic, occupational, and toxicological variables were ascertained. Blood and urine samples were taken for pesticide analysis (12 organochlorines, organophosphates, and carbamates), 68 chemical elements were quantified in hair, and micronuclei (MN) were quantified in lymphocytes. The mixtures of chemical elements were grouped through exploratory factor analysis. Prevalence ratios (PR) were estimated with robust variance Poisson regressions to explore associations. The highest concentrations of chemical elements were in the active mines. The potentially most toxic chemical mixture was observed in the ferronickel mine. Pesticides were detected in a low proportion of participants. The frequency of MN was similar in the three mining contexts. There was great heterogeneity in the exposure to pesticides and chemical elements. The “hormetic effect” of selenium is described, in which at low doses it acts as a chelator and at high doses it can enhance the toxic effects of other elements. It is proposed that future studies in mining contexts include the measurement of chemical mixtures to better assess exposure and potential adverse health effects.

The photosystem I (PSI) of the green alga Chlamydomonas reinhardtii associates with 10 light-harvesting proteins (LHCI) to form the PSI-LHCI complex. Binding of LHCII to PSI may also occur and is controlled by a process called state transitions. Hereby, two LHCII trimers bind to the PSAL, PSAH and PSAO side of PSI to produce the PSI-LHCI-LHCII complex. In this work, we took advantage of chemical crosslinking of proteins in conjunction with mass spectrometry to identify protein-protein interactions between the light-harvesting proteins of PSI and PSII. We detected binding of LHCBM proteins to the LHCA1-PSAG side of PSI and identified protein-protein interactions of LHCSR3 with LHCA5 and LHCA3. Our data indicate that the binding of LHCII to PSI is more versatile as anticipated and reveal that LHCSR3 likely regulates excitation energy transfer to the PSI core via LHCA5/LHCA3.

The theoretical limits of water sorbate based chemical sorption heat storage are investigated in this study. First, a classification of \textit{thermochemical heat storage} is proposed based on bonding typology. Then, thermodynamics of chemical solid/gas sorption is introduced. The analysis of the reaction enthalpy from the literature indicates that this value is only slightly varying for one mole of water. Using this observation, and with the help of thermodynamical considerations, it is possible to derive conclusions on energy efficiency of closed and open heat storage systems. Whatever the salt, the main results are 1) the energy required for evaporation of water is, at least, 65% of the available energy of reaction and 2) the maximum theoretical energy efficiency of the system is about 1.8.

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.

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

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

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

The improvement of mechanical properties of cantala fiber and its composites. Treatments including alkali, silane, and the combination of both were carried out to modify the fiber surface. The influence of chemical treatments on fiber properties such as the degree of crystallinity and tensile strength was investigated. A variety of short cantala fiber reinforced rHDPE composites were produced by hot press, and the effect of fiber treatment on the flexural strength of composites was observed. SEM observations also carried out to highlight these changes. The result shows that alkali treatment improves tensile strength and tensile modulus of alkali treated fiber (NF12) which was predicted as a result of the enhancement of the cellulose crystallinity. In contrast, the tensile strength and tensile modulus of silane (SF05) and alkali-silane treated fiber (NSF05) decreased compared to untreated fiber (UF) which is caused by the addition of amorphous material. The tensile strength of alkali-silane treated fiber (NSF05) was lower than alkali treated fiber (NF12), but the composites prepared with NSF05 showed the highest increment of flexural strength of 25.9%. This may be due the combination of alkali and silane treatment helped in the better formation of fiber-matrix interface adhesion.

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

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

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

Lead optimization in drug discovery is a crucial phase where initial hits are refined into compounds with improved pharmacological properties. While traditional methods rely on manual experimentation and modifications, AI-driven techniques have revolutionized this process by leveraging big data and predictive modeling. This review explores how AI-driven approaches accelerate lead optimization, showcasing examples like deep neural networks and reinforcement learning. Integration of multi-omic data and experimental validation further enhances AI-driven strategies. The future lies in refining these AI methods, democratizing tools, and interdisciplinary collaboration to streamline drug discovery and address medical needs efficiently.

The chemical industry is an integral part of the world economy and a substantial income source for developing countries. However, existing regulations or the enforcement of these regulations, on controlling atmospheric pollutants sometimes may be insufficient, leading to the deterioration of surrounding ecosystems and to a quality decrease of the atmospheric environment. Previous works in this domain fail to generate executable solutions for inspection agencies due to practical challenges. In addressing these challenges, we introduce a so-called Chemical Plant Environment Protection Game (CPEP) to generate reasonable schedules of high-accuracy air quality monitoring stations for inspection agencies. First, Stackelberg Security Games (SSGs) are incorporated together with source estimation methods into this research. Second, high-accuracy air quality monitoring stations as well as gas sensors are modeled into the CPEP. Third, simplified data analysis on the regularly discharging of chemical plants is utilized to construct the CPEP. Finally, an illustrative case study is used to investigate the effectiveness of the CPEP Game, and a realistic case study is conducted to illustrate how the models and algorithms being proposed in this paper, work. Results show that playing a CPEP Game can reduce operational costs of high-accuracy air quality monitoring stations; moreover, playing the game leads to more compliance from the chemical plants towards the inspection agencies.

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

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 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.

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

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

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

This study explores the impact of temperature and molarity on the pyrolysis of Açaí seeds (Euterpe Oleraceae, Mart.) activated with KOH on the yield of bio-oil, hydrocarbon content of bio-oil, an-tioxidant activity of bio-oil and chemical composition of aqueous phase. The experiments were carried out at 350, 400, and 450 °C and 1.0 atmosphere, with 2.0 M KOH, and at 450 °C and 1.0 atmosphere, with 0.5 M, 1.0 M and 2.0 M KOH, in laboratory scale. The composition of bio-oils and aqueous phase determined by GC-MS, while the acid value, a physical-chemical property of fundamental importance in biofuels, of bio-oils and aqueous phases by AOCS methods. The an-tioxidant activity of bio-oils determined by the TEAC method. The solid phase (biochar) charac-terized by X-ray diffraction (XRD). The diffractograms identified the presence of Kalicinite (KHCO3) in biochar, and those higher temperatures favor the formation peaks of Kalicinite (KHCO3). The pyrolysis of Açaí seeds activated with KOH show bio-oil yields from 3.19 to 6.79 (wt.%), aqueous phase yields between 20.34 and 25.57 (wt.%), solid phase yields (coke) between 33.40 and 43.37 (wt.%), and gas yields from 31.85 to 34.45 (wt.%). The yield of bio-oil shows a smooth exponential increase with temperature. The acidity of bio-oil varied between 12.3 and 257.6 mgKOH/g, decreasing exponentially with temperature, while that of aqueous phase between 17.9 and 118.9 mgKOH/g, showing and exponential decay behavior with temperature, demonstrating that higher temperatures favor not only the yield of bio-oil but also bio-oils with lower acidity. For the experiments with KOH activation, the GC-MS of bio-oil identified the presence of hydro-carbons (alkanes, alkenes, cycloalkanes, cycloalkenes, and aromatics) and oxygenates (carboxylic acids, phenols, ketones, and esters). The concentration of hydrocarbons varied between 10.19 to 25.71 (area.%), increasing with temperature, while that of oxygenates from 52.69 to 72.15 (area.%), decreasing with temperature. For the experiments with constant temperature, the concentrations of hydrocarbons in bio-oil increase exponentially with molarity, while those of oxygenates de-crease exponentially, showing that higher molarities favor the formation of hydrocarbons in bio-oil. The antioxidant activity of bio-oils decreases with increasing temperature, as the content of phenolic compounds decreases, and decreases with increasing KOH molarity, as higher molarities favors the formation of hydrocarbons. Finally, it can be concluded that chemical activation of Açaí seeds with KOH favors the not only the yield of bio-oil but also the content of hydrocarbons. The study of process variables is of utmost importance in order to clearly assess reaction mechanisms, economic viability and design goals that could be derived from chemically activated biomass pyrolysis processes.

Raman spectra of [TeX6](Y2) (X, Y - Cl, Br, I) were recorded in the temperature range 5-300 K. The vibration frequency of molecular halogens as function on temperature and the type of halogen X- in the [TeX6]2- complex was obtained. The vibration frequency of the molecular halogen Y2 depends on the type of halogen X- complex [TeX6]2- The temperature dependence of the Y2 frequency is anomalous compared to what was expected for a conventional anharmonic oscillator. It is shown that the interpretation of the experimental results based on the concept of traditional chemical bonding is quite satisfactory in all cases. The study was motivated by the need to consider the mechanism of interaction in the X-Y2 contacts.

Condition monitoring is a primary principle for predictive maintenance. In this regard, several techniques have been employed, each of which has its strengths and weaknesses. In this work, the relationships between the electrical (ε', ε", tan δ) and chemical (Fe, Pb, Cu, Cr, Al, Si, Zn) properties of engine lubricants were investigated using soft computing models. The models' performance was evaluated considering some criteria, including RMSE and MAPE. The RBF model was determined as the best one to predict chemical properties (Fe, Pb, Cu, Cr, Al, Si, Zn) through electrical indexes (ε', ε", tan δ). The RBF’s parameters (e.g., hidden size and training algorithm) were then optimized for optimum performance. For instance, in the RBF model implemented to predict Al, the best hidden size and training algorithmic were 15 and 'trainlm', respectively. Finally, by sensitivity analysis it was observed that eliminating any of the inputs does not improve the performance of the RBF model performance. In general, the results of the current research showed that the electrical properties (e.g., ε', ε", tan δ) have the capability of estimating the contaminants in the lubricants which can improve the existing monitoring methods.

The River Habitat Survey (RHS) is a method for assessing the conditions of a river channel and valley, taking into account hydromorphological factors, and assessing the degree of naturalness or the degree of anthropogenic alteration within the channel and valley based on physical and landscape data. The hypothesis tested in this study was that the quality of river habitats demonstrated using the RHS should translate into the composition of their fauna. We investigated aquatic bugs (Heteroptera Aquatica), which are a group with considerable dispersal abilities and, at the same time, composed of stenotopic species associated with a particular environment as well as of eurytopic elements inhabiting a wide range of environments (REF). The research was carried out in a small lowland river, the River Krąpiel (north-western Poland) at 6 sites with 43 sub-sites included. Our analyses suggest the RHS method can predict the composition and quality of the aquatic bug fauna inhabiting a given river. Indicators of river habitat quality (HQA and RHQ) will be associated with different habitat types depending on the geographic location and type of river, once indicating habitats associated with the mainstream river and mineral substrate (mountain and small lowland rivers) and at other times habitats covered by vegetation with relatively slow water flow (large and medium lowland rivers). Therefore, RHS may be a good method for estimating the water bug fauna, linking it to the size and character of the river.

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

The 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.

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

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.

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.