Chemical Composition Research Articles

EUPHORBIA CERIFERA CERA (CANDELILA) EMOLLIENT PROPERTIES, USES AND EFFECTIVENESS IN SKINCARE PRODUCTS

Candelila wax, derived from Euphorbia cerifera cera, is a natural and sustainable component that has a wide range of uses in cosmetic products. This review article explores the chemical composition, extraction techniques, and attributes of Candelila wax, with a focus on its distinctive qualities that make it highly useful in the cosmetic business. Candelila wax has been extensively studied and researched, and these studies have shown that it is highly useful in skincare. It has been found to provide significant benefits in terms of moisturizing the skin, protecting it, and improving the function of the skin barrier. The emollient and moisturizing qualities of this substance enhance skin hydration, while its film-forming capacity creates a protective barrier against environmental stresses. In addition, the non-comedogenic properties and potential anti-inflammatory effects of Candelila wax make it highly suitable for a range of skin types, including those that are sensitive or prone to acne. The future outlook for Candelila wax in cosmetics entails investigating the potential benefits of combining it with other natural substances, creating new and advanced methods of delivering it, and embracing sustainable methods of sourcing and processing. By conducting meticulously planned clinical trials, the effectiveness and safety of the substance may be verified, thereby establishing robust scientific proof for its use in skincare products. By recognizing the possibilities of Candelila wax, we may explore environmentally responsible and skin-conscious cosmetic procedures that align with the changing tastes of mindful customers. By utilizing the potent properties of this natural substance, the cosmetic industry can lead the path towards a more environmentally friendly and enduring future in the field of skincare products.

Effect of cultivation and geographical location on chemical composition and enantiomeric distribution in linalool-rich Origanum dubium Boiss. essential oils obtained at different growth stages

ABSTRACT The current study is objected to investigate the essential oil yields, chemical compositions, and enantiomeric distribution of wild and cultivated linalool rich Origanum dubium Boiss. essential oils obtained at pre-flowering, initial flowering, and post-flowering growth stages. Wild plant materials are collected from Mediterranean region of Turkey. Samples were also cultivated in Mediterranean and Aegean coastlines of Turkey in the experimental fields of Ministry of Agriculture and Forestry of Turkey. O. dubium samples yielded between 6.7 and 9.7% (mL/100 g) of essential oils. The compositions were dominated by oxygenated monoterpenes (98.2–98.9%). Linalool was detected as the major compound in all essential oils (97.0–97.6%). The dominant enantiomer was discovered as (R)-(-)-linalool with a 99.3–99.4% enantiomeric purity. The essential oil yields, chemical compositions and enantiomeric distributions were found to be constant regardless of cultivation, geographical locations or different growth stages. The result of this manuscript indicates that by culturing linalool chemotype of O. dubium, the industrial need for (R)-(-)-linalool could be met at more affordable costs.

A novel beverage with functional potential incorporating cascara (Coffea arabica), roselle (Hibiscus sabdariffa), and red ginger (Zingiber officinale Rosc. var. rubrum) extracts: chemical properties and sensory evaluation

Cascara (Coffea arabica), roselle (Hibiscus sabdariffa), and red ginger (Zingiber officinale Rosc. var. rubrum) extracts are potential sources of bioactive compounds, with promising antioxidant properties. This study aims to evaluate the chemical properties and sensory attributes of a novel beverage with functional potential, incorporating these extracts. A randomized complete design was employed to assess different formulations of cascara:roselle, with the addition of red ginger extract. The analysis included pH determination, total phenolic content via the Folin-Ciocalteu method, antioxidant activity using DPPH assay, total anthocyanin content analysis, and sensory evaluation through hedonic testing. The formulation containing cascara:roselle (55%:25%) with 20% red ginger extract showed optimal results, with a pH of 3.83, total phenolic content of 15.53 mg GAE/g, total anthocyanin content of 11.79 mg/100 g, and antioxidant activity of 91.38%. This formulation exhibited enhanced consumer preference in terms of color, aroma, taste, and aftertaste. The findings highlight the potential of this novel beverage, offering both nutritional benefits and strong consumer acceptance.

Machine learning based predictive analysis of DNA cleavage induced by diverse nanomaterials

DNA cleavage by nanomaterials has the potential to be utilized as an innovative tool for gene editing. Numerous nanomaterials exhibiting DNA cleavage properties have been identified and cataloged. Yet, the exploitation of property data through data-driven machine-learning approaches remains unexplored. A database was developed, compiling thirty distinctive characteristics, encompassing physical and chemical properties, as well as experimental conditions of nanomaterials that have demonstrated DNA cleavage capability such as in articles published over the past two decades. The DNA cleavage effect and efficiency of nanomaterials were predicted using machine learning algorithms such as support vector machines, deep neural networks, and random forest, and a classification accuracy of 0.93 for the cleavage effect was achieved. Moreover, the potential of utilizing larger datasets to enhance the predictive capacity of models was discussed. The findings indicate the feasibility of predicting nanomaterial properties based on experimental data. Evaluating the performance and effectiveness of the machine learning models trained using the existing data can furnish valuable insights for future materials research endeavors, especially for the design of DNA cleavage with specific sites.

Lewis Acid‐Mediated Synthesis of Thiazolo[3,2‐a] Hydrazone‐Based Organic Semiconducting Microwires

Organic semiconducting wires have captured broad attention in recent years due to its tremendous applications in various fields. The structural and chemical versatility, easy fabrication, tunable properties, and low cost have made their inevitable presence in electronics and optoelectronics. Herein, the synthesis and characteristic description of a new thiazolo[3,2‐a] hydrazone‐based organic semiconducting microwire synthesized by the Lewis acid‐based condensation reaction between methyl (Z)‐2‐(2‐(2‐methoxy‐2‐oxoethylidene)‐3‐oxo‐2,3‐dihydrothiazolo[3,2‐a]indol‐9‐yl)‐2‐oxoacetate and phenyl hydrazine under reflux conditions is reported. The optical, electrical, and semiconducting nature of the material is revealed from the specular reflectance study. When the Tauc plot analysis reveals a direct bandgap of 2.03 eV, the hot probe test suggests the nature of the majority of charge carriers as electrons, indicating the hydrazone as an organic semiconductor. The long wire‐like morphology with a high aspect ratio makes the molecule conceivable for advanced optoelectronic applications.

Natural Rubber Films Reinforced with Cellulose and Chitosan Prepared by Latex Aqueous Microdispersion

In this paper, green composite films comprising natural rubber (NR), cellulose (CE), and chitosan (CS) were successfully fabricated through a simple, facile, cost-effective method in order to improve mechanical, chemical, and antimicrobial properties of NR composite films. Chitosan with a low molecular weight of 30,000–50,000 g/mol (CS-L) and a medium molecular weight of 300,000–500,000 g/mol (CS-M) was used for the fabrication. The composite films were prepared via a latex aqueous microdispersion method with different weight ratios of NR:CE:CS-L/CS-M. Fourier transform infrared spectroscopy (FTIR) results demonstrated strong interactions of hydrogen bonds between CE and CS-L/CS-M in the composite films. The tensile strength and the modulus of the composite films in dried form were found to significantly increase with the reinforcement of CE and CS-L/CS-M. The maximum tensile strength (13.8 MPa) and Young’s modulus (12.7 MPa) were obtained from the composite films reinforced with CE at 10 wt.% and CS-L at 10 wt.%. The high elongation of 500–526% was obtained from the composite films reinforced with CE at 10 wt.% and CS (CS-L or CS-M) at 5.0 wt.%. The modification could also significantly promote antimicrobial activities and chemical resistance against non-polar solvents in the composite films. The NR composite films have potential uses as flexible films for sustainable green packaging.

A Survey on the Effect of the Chemical Composition on the Thermal, Physical, Mechanical, and Dynamic Mechanical Thermal Analysis of Three Brazilian Wood Species

A Survey on the Effect of the Chemical Composition on the Thermal, Physical, Mechanical, and Dynamic Mechanical Thermal Analysis of Three Brazilian Wood Species

Basic chemical composition combination rules and quantitative criterion of red beds

Basic chemical composition combination rules and quantitative criterion of red beds

The influence of atmospheric circulation on the seasonal dynamics of the chemical composition of snow cover in the Pechora-Ilychsky reserve

The influence of atmospheric circulation on the seasonal dynamics of the chemical composition of snow cover in the Pechora-Ilychsky reserve

Impact of nano Fe2O3 on radiation parameters of epoxy reinforced with nano carbon

This study aims to investigate the effectiveness of iron oxide (Fe2O3) and carbon black in micro and nanoscales incorporated into an epoxy adhesive matrix for gamma-ray attenuation. The composites were prepared via a simple and cost-effective synthesis method. The grain size of powder NPs was measured using a transmission electron microscope (TEM), and the particle size was about 20 ± 5 nm and 31.46 ± 2 nm for carbon and Fe2O3, respectively. The morphological properties were characterized by a scanning electron microscope, which indicated the excellent dispersion of NPs, which blocked almost all pores of the composite and increased the capability of radiation attenuation. In addition, the chemical composition of samples using energy dispersive X-rays (EDX) and the compressive strength were measured. Furthermore, the linear and mass attenuation coefficients were determined experimentally for incident photon energies of 59.51–1408.01 keV emitted from γ-ray sources using the sodium iodide scintillation detector NaI. A comparison was conducted between the experimental data and theoretical results that obtained from XCOM software, examined the validity of the experimental results. The relation deviation rate was found to vary between 0.0008 and 2.83%. Furthermore, the measurement of the relation deviation rate between the linear attenuation coefficients of micro and nano composites revealed a range of values between 1 and 25%. Also, shielding parameters such as half-value layer (HVL), tenth-value layer (TVL), mean free path (MFP), and effective atomic number (Zeff) were measured. Moreover, the equivalent atomic number (Zeq), absorption, and exposure buildup factors for prepared samples were calculated. The results showed that the incorporation of Fe2O3 NPs enhanced the shielding capability of the composites, as evidenced by the significant reduction in gamma-ray transmission. The composite materials exhibited excellent mechanical strength, making them suitable for practical applications in radiation shielding. Furthermore, it was determined that the elevation in N-Fe2O3 concentration resulted in a direct increase in the linear attenuation coefficient, from 0.314 to 0.519 cm−1 at 0.5951 MeV and from 0.099 to 0.124 cm−1 at 0.662 MeV. Nevertheless, a slight increase was discerned in the identified mass attenuation coefficients at 0.1332 and 0.1408 MeV. The experimental data for MFP, HVL, and TVL demonstrate that the EFeC4 sample exhibits optimal performance, with values of 1.9, 1.3, and 4.4 cm at 0.5951 MeV, and at 0.661 MeV, the values are 8.04, 5.57, and 18.52 cm, while at 0.1408 MeV, the values are 12.06, 8.36, and 27.78 cm, respectively. Overall, this research highlights the potential of iron oxide-carbon/epoxy composites as efficient and reliable materials for gamma-ray protection in various fields, including nuclear power plants, medical facilities, and space exploration.

Multi-output prediction of dose–response curves enables drug repositioning and biomarker discovery

Drug response prediction is hampered by uncertainty in the measures of response and selection of doses. In this study, we propose a probabilistic multi-output model to simultaneously predict all dose–responses and uncover their biomarkers. By describing the relationship between genomic features and chemical properties to every response at every dose, our multi-output Gaussian Process (MOGP) models enable assessment of drug efficacy using any dose–response metric. This approach was tested across two drug screening studies and ten cancer types. Kullback-leibler divergence measured the importance of each feature and identified EZH2 gene as a novel biomarker of BRAF inhibitor response. We demonstrate the effectiveness of our MOGP models in accurately predicting dose–responses in different cancer types and when there is a limited number of drug screening experiments for training. Our findings highlight the potential of MOGP models in enhancing drug development pipelines by reducing data requirements and improving precision in dose–response predictions.

The Application of Bicyclo[1.1.1]pentane as a Bioisostere of the Phenyl Ring in Pharmaceutical Chemistry

AbstractBicyclo[1.1.1]pentane (BCP) is a bridging ring skeleton with three-dimensional structure. BCP is a bioisostere of the phenyl ring, tert-butyl group, and alkynes; it has excellent physical and chemical properties compared with phenyl ring, so it has been widely considered by the pharmaceutical chemistry. This short review examines related reports of BCP as a bioisostere of the phenyl ring, and the changes in physicochemical properties and biological activity after substitution. The solubility, clogP, and metabolic toxicity of the drug are improved by BCP bioisosteres, but the biological activity of BCP is lower than the phenyl ring. The application of BCP in drug research and development will be further expanded to provide more possibilities for future drug innovation and development.1 Introduction2 Replacement of Phenyl Rings by BCP3 Conclusion

Influence of the Chemical Properties of Cereal Grains on the Structure and Metabolism of the Bacteriome of Rhyzopertha dominica (F.) and Its Development: A Cause–Effect Analysis

Influence of the Chemical Properties of Cereal Grains on the Structure and Metabolism of the Bacteriome of Rhyzopertha dominica (F.) and Its Development: A Cause–Effect Analysis

The chemical composition of secondary organic aerosols regulates transcriptomic and metabolomic signaling in an epithelial-endothelial in vitro coculture

BackgroundThe formation of secondary organic aerosols (SOA) by atmospheric oxidation reactions substantially contributes to the burden of fine particulate matter (PM2.5), which has been associated with adverse health effects (e.g., cardiovascular diseases). However, the molecular and cellular effects of atmospheric aging on aerosol toxicity have not been fully elucidated, especially in model systems that enable cell-to-cell signaling.MethodsIn this study, we aimed to elucidate the complexity of atmospheric aerosol toxicology by exposing a coculture model system consisting of an alveolar (A549) and an endothelial (EA.hy926) cell line seeded in a 3D orientation at the air‒liquid interface for 4 h to model aerosols. Simulation of atmospheric aging was performed on volatile biogenic (β-pinene) or anthropogenic (naphthalene) precursors of SOA condensing on soot particles. The similar physical properties for both SOA, but distinct differences in chemical composition (e.g., aromatic compounds, oxidation state, unsaturated carbonyls) enabled to determine specifically induced toxic effects of SOA.ResultsIn A549 cells, exposure to naphthalene-derived SOA induced stress-related airway remodeling and an early type I immune response to a greater extent. Transcriptomic analysis of EA.hy926 cells not directly exposed to aerosol and integration with metabolome data indicated generalized systemic effects resulting from the activation of early response genes and the involvement of cardiovascular disease (CVD) -related pathways, such as the intracellular signal transduction pathway (PI3K/AKT) and pathways associated with endothelial dysfunction (iNOS; PDGF). Greater induction following anthropogenic SOA exposure might be causative for the observed secondary genotoxicity.ConclusionOur findings revealed that the specific effects of SOA on directly exposed epithelial cells are highly dependent on the chemical identity, whereas non directly exposed endothelial cells exhibit more generalized systemic effects with the activation of early stress response genes and the involvement of CVD-related pathways. However, a greater correlation was made between the exposure to the anthropogenic SOA compared to the biogenic SOA. In summary, our study highlights the importance of chemical aerosol composition and the use of cell systems with cell-to-cell interplay on toxicological outcomes.Graphical

Potential Bioactivities, Chemical Composition, and Conformation Studies of Exopolysaccharide-Derived Aspergillus sp. Strain GAD7

This research identified a marine fungal isolate, Aspergillus sp. strain GAD7, which produces an acidic and sulfated extracellular polysaccharide (EPS) with notable anticoagulant and antioxidant properties. Six fungal strains from the Egyptian Mediterranean Sea were screened for EPS production, with Aspergillus sp. strain GAD7 (EPS-AG7) being the most potent, yielding ~5.19 ± 0.017 g/L. EPS-AG7 was characterized using UV-Vis and FTIR analyses, revealing high carbohydrate (87.5%) and sulfate (24%) contents. HPLC and GC-MS analyses determined that EPS-AG7 is a heterogeneous acidic polysaccharide with an average molecular weight (Mw¯) of ~7.34 × 103 Da, composed of mannose, glucose, arabinose, galacturonic acid, galactose, and lyxose in a molar ratio of 6.6:3.9:1.8:1.3:1.1:1.0, linked through α- and β-glycosidic linkages as confirmed by NMR analysis. EPS-AG7 adopted a triple helix-like conformation, as evidenced by UV-Vis (Congo Red experiment) and circular dichroism (CD) studies. This helical arrangement demonstrated stability under various experimental conditions, including concentration, ionic strength, temperature, and lipid interactions. EPS-AG7 exhibited significant anticoagulant activity, doubling blood coagulation time at a concentration of 3.0 mg/mL, and showed significant antioxidant activity, with scavenging activities reaching up to 85.90% and 58.64% in DPPH and ABTS+ assays at 5.0 mg/mL, and EC50 values of 1.40 mg/mL and 3.80 mg/mL, respectively. These findings highlight the potential of EPS-AG7 for therapeutic applications due to its potent biological activities.

Impact of Silver Incorporation and Flash-Lamp-Annealing on the Photocatalytic Response of Sputtered ZnO Films

Thin films of silver-doped zinc oxide (SZO) were deposited at room temperature using a DC reactive magnetron co-sputtering technique using two independent Zn and Ag targets. The crystallographic structure, chemical composition and surface morphology of SZO films with different silver concentrations were correlated with the photocatalytic (PC) properties. The crystallization of the SZO films was made using millisecond range flash-lamp-annealing (FLA) treatments. FLA induces significant structural ordering of the wurtzite structure and an in-depth redistribution of silver, resulting in the formation of silver agglomerates. The wurtzite ZnO structure is observed for silver contents below 10 at.% where Ag is partially incorporated into the oxide matrix, inducing a decrease in the optical band-gap. Regardless of the silver content, all the as-grown SZO films do not exhibit any significant PC activity. The best PC response is achieved for samples with a relatively low Ag content (2–5 at.%) after FLA treatment. The enhanced PC activity of SZO upon FLA can be attributed to structural ordering and the effective band-gap narrowing through the combination of silver doping and the plasmonic effect caused by the formation of Ag clusters.

Designing the Chemical Composition of Steel with Required Hardenability Using Computational Methods

This paper introduces an innovative approach that enables the automated and precise prediction of steel’s chemical composition based on the desired Jominy curve. The microstructure, and in fact the presence of martensite, is decisive for the hardness of the steel, so the study considered the occurrence of this phase at particular distances from the quenched end of the Jominy sample. Steels for quenching and tempering and case hardening were investigated. With the representative collected dataset of hardness values from the quenched end of the Jominy specimen, microstructure and chemical composition of steels, the complex regression model was made using supervised artificial neural networks. The balance between cost and required hardenability can be achieved through optimizing the chemical composition of steel. This model of designing steel with required hardenability can be of great benefit in the mechanical engineering and manufacturing industry. The model is verified experimentally.

Chemical and isotopic composition of rainwater in the eastern Yucatan peninsula, Mexico

Given that rain is the component of precipitation that reaches the surface of the earth, and aiming to contribute to the global efforts of rainwater monitoring, we present information regarding the origin of ions and their relationship with isotopic patterns and the source of moisture for rainwater in the Mexican Caribbean, which not only may be useful for pollution and atmospheric studies, but also for estimating groundwater recharges, understanding dust nuisances, and offering information about water quality for rainwater harvesting. In this paper, we describe the chemical composition of rainwater in terms of major ions, isotopic composition, and the most probable sources of moisture in the Caribbean coastal zone of Mexico, considering the three main climatic seasons in this area. The chemistry of rainwater displayed a noticeable influence from sea-salt spray, land-blown dust, and anthropogenic impacts such as agriculture and biomass burning. We identified the predominant terrestrial origin of calcium, namely anthropogenic contributions of sulfates and nitrates, plus potassium from sea spray and anthropogenic emissions. The local meteoric water line is δ2H = 8.2 δ18O + 13.8 (R² = 0.9601) suggesting enrichment due to evaporative losses, various moisture sources and local climatic effects. Although isotope composition was not different by site, it was by season, as opposed to water chemistry. We conclude that the water chemistry responds to the local conditions of the air column below the clouds, while the isotope composition is influenced by the origin of moisture and the physical conditions in which water evaporates and condenses as well.

Investigation of Sugarcane Bagasse Ash (SBA)-Based Engineered Geopolymer Mortar Reinforced with Coconut Fibre for Engineered Geopolymer Composites

In recent years, there have been growing demand for fibre-reinforced cementitious composites using materials wastes to reduce cost and cement usage in concrete production. Therefore, this study aims to prepare sugarcane bagasse ash (SBA)-based geopolymer reinforced with coconut fibre as a material suitability evaluation for engineered geopolymer composites. The sugarcane baggase ash was characterised for its physical and chemical properties using scanning electron microscopy (SEM), Energy dispersive X-ray spectroscopy (EDS), X-ray powder diffraction (XRD). The coconut fibres was added at 0%, 1%, 2%, and 3%, while the plain cement mortar was used as the control mix. Both destructive (compressive and tensile strength) and non- destructive test (water absorption, and ultrasonic pulse velocity test) were conducted on the resulting geopolymer mortar. The result of the SBA characterisation showed that the SBA met the ASTM C618 requirement for a pozzolanic material. The addition of 1% fibre to the geopolymer composite resulted in enhanced durability property than the plain cement mortar. The ultrasonic pulse velocity test demonstrated that bagasse ash-based geopolymer composites can be classified as a excellent cementitious material. The study also found the engineered cementitious composite showed better compressive and tensile strength than the plain concrete mortar, while the addition of fibre provided a denser microstructure for additional strength. The optimum fibre content was found at 1% for improved water absorption performance, UPV, and compressive strength. The study concludes that SBA composite reinforced with coconut fibre can provide better alternatives to achieve sustainability in engineered geopolymer concrete applications.

Geochemical Features of Organo-Accumulative Soils of Subtaiga and Subtaiga-Forest-Steppe Light Coniferous Forests of Northern Mongolia

Geochemical features of organo-accumulative (Eutric Regosols (Laomic, Ochric), Cambic Someric Phaeozems (Loamic)) soils widely distributed in the soil cover of the subtaiga and subtaiga-forest-steppe light coniferous forests forming the lower boundary of the forest belt in the mountain structures of Northern Mongolia are considered. Data on the microelement composition of soil-forming rocks are given. It was found that the paragenetic association of trace elements in them is represented by Pb, Cu, Zn, Co, V, Cr, Ni, Mn, Mo, Ba, Sr, Zr and B. It was found that, compared with the average content in the lithosphere within the subtaiga and subtaiga-forest-steppe forest-growing belt, the residual and re-deposited weathering crusts of igneous rocks are enriched with Zn, Cr, Mo, B, at the same time they contain less Pb, Co, Mn, Ba, Sr, Zr. The residual and re-deposited weathering crusts of carbonate rocks are enriched with Pb, Cu, Zn, V, Cr, Sr, B, they contain little Co, Ni, Mn, Mo, Ba, Zr. Data on the morphological structure of soils, their physico-chemical and chemical properties, as well as on the content of trace elements and their radial distribution in the soils under consideration are discussed. The data obtained indicate the accumulation of most trace elements in the surface organogenic and humus-accumulative horizons of soils, which is associated with both the heterogeneity of soil-forming rocks and the influence of soil processes that cause the accumulative redistribution of elements and their deposition on organo-sorption and carbonate geochemical barriers. It is shown that the studied soils differ not only in the absolute values of trace elements involved in the biological cycle, but also in the intensity of their involvement in biogenic migration.