Search Results (187)

Catalysis research is complex and interdisciplinary, involving diverse physical effects and challenging data practices. Research data often captures only selected aspects, such as specific reactants and products, limiting its utility for machine learning and the implementation of FAIR (Findable, Accessible, Interoperable, Reusable) workflows. To improve this, semantic structuring through ontologies is essential. This work extends the established ontologies by refining logical relations and integrating semantic tools such as the Web Ontology Language or the Shape Constraint Language. It incorporates application programming interfaces from chemical databases, such as the Kyoto Encyclopedia of Genes and Genomes and the National Institute of Health’s PubChem database, and builds upon established ontologies. A key innovation lies in automatically decomposing chemical substances through database entries and chemical identifier representations to identify functional groups, enabling more generalized reaction classification. Using new semantic functionality, functional groups are flexibly addressed, improving the classification of reactions such as saponification and ester cleavage with simultaneous oxidation. A graphical interface (GUI) supports user interaction with the knowledge graph, enabling ontological reasoning and querying. This approach demonstrates improved specificity of the newly established ontology over its predecessors and offers a more user-friendly interface for engaging with structured chemical knowledge. Future work will focus on expanding ontology coverage to support a wider range of reactions in catalysis research. Full article

Camellia vietnamensis grows in a unique tropical environment, and its seed oil has a rich aroma. The content of unsaturated fatty acids in C. vietnamensis oil is up to 90%, which can regulate human lipid metabolism and prevent cardiovascular and cerebrovascular diseases. Compared with olive oil, C. vietnamensis oil has a higher content of unsaturated fatty acids. This study used eleven C. vietnamensis cultivars cultivated on Hainan Island. Among the 11 cultivars, “Boao 1” had fruits with the largest vertical diameter of 45.05 mm, while “Haida 1” had fruits with the largest horizontal diameter, single-fruit weight, and fresh 100-grain weight of 53.5 mm, 70.6 g, and 479.01 g, respectively. “Boao 3” had an acid value and peroxide value of 1.59 mg/g and 3.50 mmol/kg, respectively, and its saponification value content was 213.18 mg/g. “Boao 5” had the highest iodine value, 101.86 g/100 g, among the 11 cultivars. The content of unsaturated fatty acids in the seed oil of 11 cultivars ranged from 84.87% to 87.38%. The qRT-PCR results confirmed that “Boao 3” had a higher content of flavonoids and fatty acids than other cultivars. The comprehensive analysis of physiological and biochemical indices showed that the top five cultivars were “Haida 1”, “Boao 3”, “Haida 2”, “Boao 1”, and “Boao 5”. These five cultivars were suitable for large-scale cultivation in tropical regions, such as Hainan Island. This study provided a theoretical basis for the breeding of C. vietnamensis cultivars in tropical regions. Full article

Achieving carbon neutrality requires not only reducing CO₂ emissions but also capturing atmospheric CO₂. Direct air capture (DAC) using amine-based adsorbents has emerged as a promising approach. In this study, we developed amine-epoxy/poly(vinyl alcohol) (AE/PVA) nanofibers via electrospinning and in situ thermal polymerization. PVA was incorporated to enhance spinnability, and B-staging of AE enabled fiber formation without inline heating. We systematically investigated the effects of electrospinning parameters, epoxy-to-amine ratios (E/A), and the degree of PVA saponification on CO₂ adsorption performance. Thinner fibers, obtained by adjusting spinning conditions, exhibited faster adsorption kinetics due to increased surface area. Varying the E/A revealed a trade-off between adsorption capacity and low-temperature desorption efficiency, with secondary amines offering a balanced performance. Additionally, highly saponified PVA improved thermal durability by minimizing side reactions with amines. These findings highlight the importance of optimizing fiber morphology, chemical composition, and polymer properties to enhance the performance and stability of AE/PVA nanofibers for DAC applications. Full article

The extraction technology of sterol was confirmed by ethanol reflux and saponification in this study. The orthogonal test was employed to assess the impact of extraction time, solid–liquid ratio, ethanol concentration and extraction temperature on the yield of sterol extraction. Hyperlipidemia model mice were established by feeding a high-fat and -sugar diet, and different doses of sterol extracts were given to the mice by gavages. The optimal extraction conditions were identified as an extraction time of 80 min, a solid–liquid ratio of 1:10, an ethanol concentration of 95%, and an extraction temperature of 90 °C, resulting in a sterol concentration of 1.16 mg/g. Compared with the high-fat model group, the high-dose group significantly reduced body weight by 17.2%, liver weight by 30.9%, and serum low density lipoprotein cholesterol by 20.0% (p < 0.05), while serum total cholesterol (5.59 ± 0.48 vs. 5.68 ± 0.64 mmol/L) and high-density lipoprotein cholesterol (0.98 ± 0.05 vs. 0.93 ± 0.03 mmol/L) showed no significant changes compared to the model group. Full article

This study focuses on the extraction, characterization, and biological evaluation of diterpenes from green coffee beans, specifically, cafestol and kahweol. These compounds, known for their potential health benefits, were isolated via optimized extraction and saponification processes. Separation was achieved using silver nitrate-impregnated silica gel, and structural elucidation was performed through advanced 1D and 2D NMR techniques, including HSQC, HMBC, and (IN)ADEQUATE. Due to kahweol’s instability, the research prioritized cafestol for the synthesis of rhodamine B conjugates. Initial ester-linked conjugates proved unstable, prompting the development of more robust derivatives through amide linkage strategies and further functionalization via acetylation and oxidation reactions. Some oxidation methods led to furan ring cleavage, impacting structural integrity. Selected compounds were tested for cytotoxicity using SRB assays on human tumor cell lines (MCF7, A2780) and non-malignant fibroblasts (NIH 3T3). While the parent diterpenes and many derivatives showed minimal activity, several cafestol–rhodamine B conjugates demonstrated notable cytotoxic effects. Compound 6, in particular, exhibited selective activity against cancer cells with reduced toxicity toward non-malignant cells. Full article

Background: Neem seed oil (Azadirachta indica A. Juss) is widely used in the pharmaceutical, agricultural, and food industries due to its antiseptic, fungicidal, pesticidal, and antioxidant properties, attributed to over 300 bioactive compounds and a high content of unsaturated fatty acids. Methods: This study aimed to characterize a commercial sample of neem oil regarding its physicochemical properties and identity profile, using official methodologies from the American Oil Chemists’ Society (AOCS), and to compare the results with literature data. Results: The sample exhibited the following parameters: free fatty acids (2.0 ± 0.02%), acidity index (3.9 ± 0.04 mg KOH/g), peroxide value (3.2 ± 0.1 mEq/kg), iodine value (116 ± 12 g I₂/100 g), and saponification index (198 ± 8 mg KOH/g). The predominant coloration was yellowish, with total chlorophyll and carotenoid levels below the equipment’s quantification limits. Fatty acid composition was mainly long-chain (C16–C18), with notable levels of linoleic acid (46%), oleic acid (28%), palmitic acid (12%), linolenic acid (5.5%), and stearic acid (4.1%). The triacylglycerol profile showed a predominance of triunsaturated (51%) and diunsaturated species (41%). Differential scanning calorimetry (DSC) analysis revealed crystallization events between −6 °C and −57 °C and fusion events between −44 °C and −1 °C, consistent with the high unsaturation level of the lipids. Conclusions: The analyzed neem oil sample meets quality and identity criteria, making it suitable for various industrial applications. The characterization confirms its potential and aligns with literature data, emphasizing its relevance for industrial use. Full article

Mauritia flexuosa L.f. oil has high added value due to its antioxidant activity. This study evaluated the quality of 50 samples from eight regions of Pará, using analytical and chemometric methods. Total carotenoids, polyphenols, flavonoids, vitamin C, acidity, peroxide, saponification, and fatty acid indices were analyzed. Samples with higher residual load were identified by the Mahalanobis distance. Principal component analysis (PCA) highlighted total carotenoids as the most relevant parameter, identifying three groups with different levels of biological activity (low, medium, and high) and significant cumulative variance. ANOVA did not indicate significant differences between groups regarding fatty acids, but oleic acid was predominant in five regions. Nine samples are suitable for the food sector, while the others can be directed to different applications. The maximum concentrations of carotenoids, polyphenols, flavonoids, and vitamin C were 1899 μg/g, 161.69 GAE/100 g, 125.02 mg EC/100 g, and 24.17 mg/100 g, respectively. This study demonstrated the usefulness of chemometric tools in the quality control of this bioinput, facing the local bioeconomy. Full article

This research explores the potential of green encapsules uploaded with eucalypt essential oil (EEOs) in enhancing their functionality and application in pest control, focusing on suitable ecotype selection from King Abdulaziz University (KAU) campus, Hada Al-Sham (HAS) village, and Briman district as well as optimizing extraction processes. Eucalypt hybrids’ leaves were collected from three different sites, and the EEOs were extracted using microwave-assisted steam distillation (MASD) and electric steam distillation (ESD) techniques. The physical and chemical properties of the EEO were determined. The identification of volatile chemical ingredients in the resulting EEOs was conducted using GC/MS after saponification and methylation procedures, and the ingredients were compared to those obtained from Eucalyptus globulus Labill, the ideal species containing the 1,8-cineol, the principal compound in its essential oil. The 1,8-cineole was found to be the major chemical constituent of the EEOs all over the two extraction methods, regardless of the ecotypes examined, and was interfered with other minor components such as 3-carene, α-pinene, α-myrcene, D-limonene, and α-terpinene. Eucalypt ecotypes grown at Hada Al-Sham village had the highest cineole content (59.29%) among the other sites studied. Compared to the ESD technique, MASD showed much promise because it is simple, facile, more ecofriendly and cost-effective, it kept oils true to their original form, and it allows to warm larger machines and spaces. The polymeric encapsules of either guar gum crosslinked by borax or sodium alginate crosslinked by calcium chloride were fabricated. Moreover, a bioassay screening of the encapsules uploaded with 1,8-cineole was evaluated against termite infection. The encapsules were found to be versatile tools with a wide range of applications; in particular, the alginate encapsules displayed superior characteristics. Furthermore, regardless of the encapsule type and the exposure duration, the mortality (%) of the insects was exceeded significantly for the high cineol concentrations compared to the lower ones for both alginate-based encapsules (ABEs) and guar gum-based encapsules (GGBEs). The higher the cineol concentrations, the higher the mortality percent of the termites. This finding can be attributed to the rapid toxic effect of the cineol compound at higher concentrations. Full article

During domestic grilling, polycyclic aromatic hydrocarbons (PAHs), which include genotoxic and carcinogenic compounds, can be produced as a result of fat pyrolysis, leakage of cellular juices onto the heat source, and incomplete combustion of fuel. This study aimed to assess the formation of PAHs in pork neck cooked using two different grilling methods (traditional flat grill with beech charcoal and asado grill with beech wood flame) under controlled conditions, with cooking stopping at a core temperature of 72 °C. The impact of marinating and cooking speed (fast or slow) was also evaluated over three cooking sessions. After grilling, the meat samples underwent microwave-assisted extraction, purification through solid-phase extraction (SPE), and analysis using ultra-high-performance liquid chromatography (UHPLC) with spectrofluorometric detection. Statistical analysis was performed using ANOVA (R software, version 4.3.0). None of the samples exceeded the legal limits for benzo[a]pyrene (BaP) and PAH4 (sum of chrysene, benzo[a]anthracene, BaP, and benzo[b]fluoranthene). However, the asado grill showed a significantly higher average PAH contamination (1.21 µg/kg of BaP and 3.92 µg/kg of PAH4) compared with the traditional grill (0.22 µg/kg of BaP and 1.71 µg/kg of PAH4). Marinating and cooking speed did not have a significant impact on PAH levels. Full article

Adsorption is a popular method for the recovery of low-grade lithium. It is a low-cost and highly efficient way to treat solutions with low lithium concentrations. The impurity content determines the industrial application. This study investigated a novel strategy to remove divalent cations from a desorption solution containing Mg²⁺, Ca²⁺, and Mn²⁺, generated by a manganese absorbent using an organophosphoric acid, followed by precipitation of lithium carbonate from the concentrated raffinate by evaporation. Di(2-ethylhexyl)phosphoric acid (P204) was selected as the preferred extractant. The saponification method and degree of saponification were determined, and the extraction parameters (pH, extractant concentration, and phase ratio) were investigated. A three-stage countercurrent extraction process was tested. Removal efficiencies of Mg²⁺, Ca²⁺, and Mn²⁺ from the manganese-containing desorption solution exceeded 99%, leaving <1.0 mg/L divalent cations in the raffinate. The raffinate was evaporated and concentrated to >23 g/L lithium. The total concentration of divalent cations in the lithium-rich solution was approximately 10.0 mg/L. Further conversion with sodium carbonate was carried out to prepare a battery-grade lithium carbonate product with a purity of 99.83%. The present work may provide a novel means of lithium recovery from a manganese-containing desorption solution. Full article

In this study, a straightforward and cost-effective HPLC-UV method was developed for the rapid determination of vitamin D₂ and ergosterol in mushrooms. These bioactive components are known to play a significant role in the nutritional value of mushrooms, particularly in the production of mushroom-based food supplements. The method, designed for routine analysis, involves a simple sample preparation process combining saponification and solid–liquid extraction, followed by HPLC-UV detection. High recovery rates (97–99%) were achieved by the method, with limits of detection (LOD) and quantitation (LOQ) of 0.1 mg/kg dry weight and 0.5 mg/kg dry weight, respectively. The enrichment of vitamin D₂ content in mushroom powders through UV irradiation was also investigated. In Agaricus bisporus, vitamin D₂ levels increased from an initial 1.92 mg/kg to 4.66 mg/kg following heat treatment at 100 °C, and reached a maximum of 28.13 mg/kg when heat treatment was combined with UV irradiation. In contrast, Lentinula edodes exhibited an initial vitamin D₂ content of 7–8.5 mg/kg, with the highest levels achieved through UV treatment alone, which also preserved ergosterol content. These findings highlight species-specific differences in vitamin D₂ conversion and present an effective approach for enhancing the nutritional profile of mushroom-based products, while providing a reliable analytical tool for quality control. Full article

This article demonstrates that the quality of laundry soap obtained by hot/cold saponification of two vegetable oils (olive and coconut) and an essential oil (such as Neem, Tea Tree or Thyme) influences the effects obtained after washing textiles: cleansing capacity and antibacterial effect. The results of FTIR, SEM, EDX, thermogravimetry and colorimetry analyses are presented comparatively for hot- and cold-prepared soaps. Saponification, Iodine number and Iodine Number Saponification values are determined for each oil but also for the mixture used in soap-making. Soap quality refers to texture, hardness, foaming capacity, stability, durability, cleansing capacity after washing and antimicrobial capacity. The removal power of greasy dirt (heavy used engine oil) of these laundry soaps is higher than that of some commercial soaps, obtaining dirt visibility <2.6% after washing at 100 °C, soiling addition density SAD < 0.0229 and cleansing capacity between 80.88 and 92.16%. UV-VIS analysis confirms the presence of essential oil in soaps (even after 10 months from manufacture) but also in textiles washed with them. The essential oil imparts strong antimicrobial properties to the laundry soaps (since they do not allow for attachment or multiplication of microorganisms from the environment), which makes them particularly useful in washing and disinfecting textile products used in hospitals. Full article

Quantification of free and bound carotenoids in pigmented fruit and vegetable matrices has previously been challenging due to carotenoid instability, degradation during extraction, and the prevalence of predominant carotenoid esters. The aim of the present study was to develop an optimized extraction procedure that minimises the loss of free and bound carotenoids by utilising a combination of extraction solutions, followed by an improved saponification process. A mixture of hexane, dichloromethane, ethanol and water achieved the highest extraction efficiency (>97%) from the chili/capsicum matrix. The study also addressed the previously unexplained loss of carotenoids during saponification by adding phosphate buffer to the sample–extract mixture, which prevented soap micelle formation. Additionally, the duration and temperature of the saponification procedure and pH of the final extraction solution were further optimised to achieve a higher total carotenoid recovery. A total of 48 free and bound carotenoids were identified in the capsicum fruit samples using UHPLC-DAD-MS/MS. The total carotenoid content within six bell pepper and chili fruits ranged between 1.63 (green bell capsicum) and 32.08 mg/100 g fresh weight (sweet red baby capsicum). The current methodology potentially could be used in a broad range of different carotenoid-containing matrices and commodities. Full article

Avocado fruit drop after fruit set causes avocado orchards to suffer significant losses in the fruit yield, oil yield, and quality parameters of fruits. An insufficient crop load, as a result of excessive fruit drop, can reduce avocado orchard profitability. Hence, this study aimed to mitigate these problems using 1-methylcyclopropene (1-MCP), aminoethoxyvinylglycine (AVG), and N-(2-Chloro-4-pyridyl)-N′-phenyl urea (CPPU) as an environmentally friendly and cost-effective strategy to reduce accumulative fruit drop and enhance the productivity and quality of Fuerte avocado fruits. The experiment was conducted over two consecutive seasons using a randomized complete block design with eight treatments: control, 1-MCP (200 ppm), AVG (200 ppm), CPPU (5 ppm), 1-MCP + AVG, 1-MCP + CPPU, AVG + CPPU, and 1-MCP + AVG + CPPU. These treatments were applied twice, at full bloom and at the beginning of the fruit set. Avocado trees treated with 5 ppm CPPU significantly reduced accumulative fruit drop. Additionally, treatments with 1-MCP + AVG + CPPU and CPPU at 5 ppm notably improved the yield and quality of Fuerte avocado fruits by increasing fruit weight, length, width, dry matter content, total carbohydrates, crude protein, total soluble solids (TSSs), and fruit mineral content (P, K, Ca, Mg, and Fe). In contrast, treatments with 1-MCP or/and AVG had a negative impact on fruit TSSs, acidity, and carotenoid content, while producing the highest levels of chlorophyll a, b, and total chlorophyll. Treatments with CPPU alone or combined with 1-MCP and/or AVG significantly enhanced avocado oil content, with slight effects on peroxide, iodine, and saponification values. Based on the results, 1-MCP + AVG + CPPU treatment is recommended for avocado growers to enhance fruit growth, yield, quality, and oil production. Full article

The culinary poppy (Papaver somniferum L.) has been used for centuries in everyday diets, especially for food, but also as a non-food source of health-promoting ingredients. In the present study, a field trial was set with white-seeded poppy varieties collected from farmers in Croatia. The poppies were sown as a winter crop. Selenium biofortification was applied using different selenium sources, such as selenite, SeO₃²⁻, and selenate SeO₄²⁻. In the flowering stage, biofortification was carried out as follows: (1) Se-0: control; (2) SeO₃_30: 30 g ha⁻¹; (3) SeO₃_60: 60 g ha⁻¹; (4) SeO₄_30: 30 g ha⁻¹; and (5) SeO₄_60: 60 g ha⁻¹. Plants formed an average of four capsules per plant, with an average seed mass per capsule of 3.52 g. The seed yield varied from 0.91 (SeO₃_30) to 1.26 t ha⁻¹ (SeO₄_30). The cold-pressed oil was characterized as good-quality since the average water content was 0.38%, insoluble impurities consisted of 0.013%, iodine number value was 135.81 g, I₂ was 100 g⁻¹, and saponification number was 188.51 mg KOH g⁻¹, and it was on average 0.93% free fatty acids. Selenium biofortification had a significant (p ≤ 0.05) impact on Se accumulation in the seeds. Thus, the selenite form increased Se content in the seeds by about 7% compared to the control, whereas for the (4) SeO4_30 treatment, the increase was about 50%, and for (5) SeO4_60, it was even higher, about 91% compared to the control treatment. The highest content of fatty acids in the cold-pressed oil was determined for linoleic (76.31%), oleic (13.49), and palmitic (7.86%) acids. Full article