Search Results (413)

Bidens pilosa L. is an herbal medicine rich in volatile oils (VOs) with anti-inflammatory, antioxidant, and antimicrobial activities. However, the volatile constituents responsible for its antimicrobial effect (quality-indicators, Q-markers) have not been clearly defined, limiting product standardization. In this study, VOs from eleven sites in China were obtained by supercritical-fluid extraction and analyzed by GC-MS, yielding 75 compounds and a fingerprint with a similarity > 0.90 based on 43 common peaks. Chemometric screening using relative abundance, followed by hierarchical cluster analysis (HCA) and principal component analysis (PCA) with variable-importance-in-projection (VIP) scores, divided the oils into three geographical clusters and identified 14 differential compounds (VIP ≥ 1, p < 0.05). Antimicrobial assays against E. coli, S. aureus, S. enterica and P. multocida revealed pronounced regional variation, with Guangdong, Fujian and Jiangxi extracts showing broad activity. Spectrum–effect correlation analysis identified methyl laurate (0.832–0.976), (Z)-3-heptadecen-5-yne (0.757–0.997), stearic acid (0.815–0.919) and stearolic acid (0.888–0.960) as candidate quality markers, based on their statistical association with antibacterial activity. Mechanistic studies and validation of these candidate markers are necessary to confirm their individual and synergistic roles and to establish a definitive standardized quality control method. Full article

Potentially Toxic Elements (PTEs) contamination of the soil is a global environmental problem, which can seriously affect the ecosystem, agricultural development, and human health. To evaluate the degree of potentially toxic metal contamination, 32 soil samples were collected from different sites in the Yanbu and Khulais areas of Saudi Arabia to analyze eight PTEs (Co, Cr, Cu, Fe, Ni, Pb, V, and Zn). The contamination indices used including the Geo-accumulation Index (Igeo), Enrichment Factor (EF), Contamination Factor (CF), and Pollution Load Index (PLI), as well as Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA) for source identification. Because metals taken up from soil can move along the soil-to-plant pathway into crops, characterizing the degree and likely origin of potentially toxic metal enrichment in agricultural soil is a necessary first step for any subsequent land-management or food-safety assessment, particularly in a country that imports the majority of its food. The results of PCA and HCA indicate that the basement rocks of Arabian Shield-associated minerals are a plausible primary source of these potentially toxic elements. The mean EF values of the PTEs in decreasing order are as follows: Co (0.93) > Ni (0.92) > Cu (0.80) > Zn (0.74) > V (0.65) > Cr (0.59) > Pb (0.27). This implies that the soils in the study area are not enriched or only slightly enriched with PTEs. According to the geoaccumulation index values, nearly every PTE was classified as practically unpolluted (Igeo < 0), the exception being Ni, which reached the unpolluted-to-moderately-polluted class (Igeo ≥ 0) at four Khulais sites. The CF and PLI values indicate that the soil is unpolluted on average. In summary, the combined pollution-index and multivariate framework offers a practical geochemical screening tool for this arid coastal region; monitoring soil quality in this way is a useful contribution to sustainable land management in water- and land-limited environments. Full article

Inula helenium L. (elecampane) is a traditional medicinal plant whose roots contain both hydrophilic polyphenols and lipophilic sesquiterpene lactones. However, the influence of the raw material origin and the extraction solvent on its combined bioactivity profile remains unclear. Moreover, although isolated sesquiterpene lactones from I. helenium have been extensively investigated for their anticancer properties, the bioactivity of whole root extracts against human melanoma cells has remained largely underexplored. This study aimed to systematically compare the phytochemical characteristics and biological activity of I. helenium root extracts obtained from three distinct raw material sources and three solvents of increasing polarity, and to identify the main factors associated with the observed bioactivity through multivariate integration. In this study, I. helenium roots from three distinct sources—commercially available dried roots, wild-collected roots, and cultivated roots collected from the Botanical Garden of Vilnius University—were extracted with three solvents of increasing polarity (n-hexane, ethyl acetate, and 70% ethanol). Each extract was characterized by total phenolic content, four antioxidant assays (DPPH, ABTS, FRAP, CUPRAC), UV–Vis fingerprinting, antimicrobial testing against Staphylococcus aureus, Klebsiella pneumoniae, and Candida albicans, and a CCK-8 assay on SK-MEL-28 human melanoma and HEK293 non-cancerous cells. Multivariate integration (PCA, HCA, Spearman rank correlation) identified solvent polarity as the dominant driver of both the phytochemical and the biological profile (PC1 and PC2 together explained 87.9% of the total variance). Ethanolic extracts combined the highest phenolic content (up to 38.6 mg GAE/g dry extract) and the strongest antioxidant capacity across all four assays, with maximum values of 177.3 (DPPH), 328.9 (ABTS), 174.1 (FRAP), and 541.6 (CUPRAC) µmol TE/g DE (p ≤ 0.004). In the preliminary antimicrobial screening, ethanolic extracts showed near-complete to complete inhibition of S. aureus and C. albicans at 25 mg/mL, with MIC₉₀ values as low as 12.5 mg/mL against S. aureus and 6.25 mg/mL against C. albicans, whereas K. pneumoniae showed only marginal growth inhibition (median values below 20% across the entire tested concentration range). Strikingly, n-hexane and ethyl acetate extracts—despite negligible antioxidant activity—produced concentration-dependent cytotoxic effects. Six of the nine extracts reduced SK-MEL-28 viability while sparing HEK293 cells, with the cultivated Botanical Garden n-hexane extract showing the greatest difference across the tested cell models (SI > 1.50, p = 0.0003). Targeted solvent selection thus enables a single plant material to yield two functionally distinct bioactive fractions: more polar extracts with pronounced antioxidant and antimicrobial activities and less polar extracts with preferential activity against SK-MEL-28 within the cell models tested. Full article

Xueshan Jinluohan Pain-Relief Liniment (XJPL) is a Tibetan topical compound preparation composed of 11 medicinal materials. Its current quality standard relies mainly on thin-layer chromatographic identification, which is insufficient to comprehensively characterize its complex chemical composition, marker constituents from key medicinal materials, and batch-to-batch quality consistency. In this study, 17 batches of XJPL were analyzed by ultra-performance liquid chromatography coupled with quadrupole-Exactive Orbitrap high-resolution mass spectrometry (UPLC-Q-Exactive Orbitrap MS) for systematic chemical profiling. An integrated quality evaluation method was further developed by combining high-performance liquid chromatography (HPLC) fingerprinting, similarity evaluation, chemometric analysis, and multicomponent quantification. A total of 139 chemical constituents were confirmed by reference standards or putatively characterized, including alkaloids, flavonoids, phenolics, terpenoids, organic acids, lactones, and other compounds, indicating the coexistence of multiple medicinal-material-derived and structurally diverse constituents in XJPL. The HPLC fingerprint established for the 17 batches contained 23 common peaks, among which 10 representative constituents were assigned, and similarity evaluation indicated a high degree of overall chemical consistency among batches. Hierarchical cluster analysis (HCA), principal component analysis (PCA), and orthogonal partial least squares-discriminant analysis (OPLS-DA) further revealed batch-related differences and suggested that common peaks corresponding to gentiopicroside, loganic acid, and related constituents contributed substantially to sample differentiation. On this basis, quantitative methods were established for representative constituents covering phenolic acids, iridoid glycosides, carotenoid glycosides, and Corydalis-derived alkaloids. Overall, this study improves the quality evaluation framework for XJPL by integrating chemical profiling, holistic fingerprint assessment, batch-difference characterization, and multicomponent quantitative control, providing experimental support for quality standard improvement and manufacturing quality control. Full article

The composition of ginsenosides is closely associated with antioxidant activity, but the effects of variety and growth year on the accumulation of individual ginsenosides and their quantitative relationships with free radical scavenging activity remain unclear. In this study, six ginsenosides (Rb1, Rb2, Rc, Rd, Re, and Rg1) in cultivated ginseng (Panax ginseng C. A. Mey.) and American ginseng (Panax quinquefolius L.) were quantified by HPLC, combined with DPPH and ABTS assays, and systematically analyzed using PCA, OPLS-DA, HCA, and PLSR. The results showed that variety exerted a much greater influence than growth year. American ginseng contained significantly higher levels of PPD-type ginsenosides (Rb1, Rd, Rc), while Rg1 was more abundant in cultivated ginseng. OPLS-DA clearly distinguished the two varieties based on ginsenoside profiles, with Rc, Rb1, and Rd identified as key marker ginsenosides (VIP > 1). Ginsenoside extracts showed scavenging abilities against both DPPH and ABTS. However, the PLSR model only successfully yielded predictive capability for DPPH. The poor prediction for ABTS suggested that ABTS scavenging may be attributed to other untested constituents in the extracts. This study provides a robust basis for variety-oriented quality control and antioxidant efficacy evaluation in ginseng products. Full article

Municipal solid waste landfill leachate represents one of the most environmentally challenging liquid effluents in modern waste management; however, its high nitrogen and phosphorus content renders it a potentially valuable nutrient source for microalgal phycoremediation. Here, Chlorella sp. and Scenedesmus sp. were cultivated for 15 days in CHU-10 standard medium and 50% (v/v) municipal landfill leachate from Nauta, Peru, and characterized across 33 biochemical variables, 14 physicochemical parameters, and 32 metal ions and trace elements. A sequential competitive multivariate pipeline comprising principal component analysis (PCA), hierarchical cluster analysis (HCA), permutational multivariate analysis of variance (PERMANOVA), and linear discriminant analysis (LDA) was applied to both the biochemical and bioremediation datasets. Leachate supplementation increased peak biomass density by 26.6–28.3% and elevated total protein by 56.9% in Chlorella sp. and 73.4% in Scenedesmus sp., while reducing total lipids by 37–46% and suppressing polyunsaturated fatty acid production. Both species achieved net biological removal efficiencies (NBRE) exceeding 86% for ammonium and ammonia; toxic elements, including Cd (~96%), Al (~92%), As (~90%), and Pb (~90%), were removed at higher NBRE than macro- and micronutrient categories. LDA achieved 100% leave-one-out cross-validation accuracy for species classification from both physicochemical and 32-element NBRE profiles. These findings indicate two complementary valorization directions, contingent on further biomass safety verification: leachate-grown Scenedesmus sp. shows a favorable combination of protein enrichment and nutrient removal for single-cell protein production integrated with bioremediation, while Chlorella sp. in standard medium shows a more favorable fatty acid profile for nutraceutical applications. Because leachate-grown biomass also accumulates inorganic and trace-element constituents from the medium, its suitability for protein or nutraceutical use requires direct heavy-metal characterization of the harvested biomass, independent of the demonstrated removal efficiency from the liquid phase. Full article

This study provides baseline information for environmental assessment in North Riyadh, Saudi Arabia. It assessed the concentrations of eight heavy metals, namely cobalt (Co), chromium (Cr), copper (Cu), iron (Fe), nickel (Ni), lead (Pb), vanadium (V), and zinc (Zn), in 28 surface soil samples collected across the area. Pollution status was evaluated using the contamination factor (CF), geoaccumulation index (Igeo), enrichment factor (EF), pollution load index (PLI), and degree of contamination (DC), while Pearson correlation, principal component analysis (PCA), and standardized hierarchical cluster analysis (HCA) were applied to identify the possible sources of these metals. Iron was the most abundant element (mean 8482.14 mg kg⁻¹), consistent with its role as a major crustal constituent. Co, Cr, Fe, Ni, and V showed low contamination (CF < 1) and a predominantly geogenic origin, reflected in strong inter-element correlations and a dominant rotated principal component explaining 54.8% of the total variance; Cu, Pb, and, in particular, Zn departed from this pattern, loading together on a distinct secondary component (32.1% of variance) and showing localized enrichment at a small number of sites. None of the 28 samples exceeded the pollution threshold for PLI (all < 1) or DC (all < 8), indicating that the soils of North Riyadh remain overall unpolluted with respect to these eight metals. These findings provide an early geochemical baseline for the district and identify Cu–Pb–Zn enrichment near construction and traffic corridors. Full article

Field cancerization in the upper respiratory tract (URT) heavily drives cancer recurrence. The present study evaluated Thai ethnobotanical ingredients from Kampramong’s anticancer remedies as alternative agents for URT cancer control. Thirty-one ethanolic extracts were screened for cytotoxicity against six URT malignant cell lines (HK1, KB, HONE-1, NPC38, NPC43, and HEp2) and two non-cancerous controls (NP460 and HaCaT) using the sulforhodamine B (SRB) assay. The selectivity index or IC₅₀ ratio of normal cells/cancer cells was also determined for selective cytotoxicity of extracts and compounds. Anti-inflammatory activity was measured using the nitric oxide (NO) reduction assay. Antioxidant capacity was measured using the DPPH radical scavenging assay. Total flavonoid content (TFC) was measured due to the main risk reduction factor. Multivariate analyses (Hierarchical Cluster Analysis; HCA and Principal Component Analysis; PCA) were used for the relationship of flavonoids, NO inhibition drive to cytotoxicity. The best plant extracts and their cytotoxic compounds were also predicted to have their target molecular mechanisms by molecular docking. HCA identified Caesalpinia sappan, Coscinium fenestratum, and Tectona grandis as exhibiting potent cytotoxicity against all malignant cells, with C. sappan being the most potent. PCA revealed that flavonoid content and nitric oxide inhibition were the critical factors driving cytotoxicity (factor load 71.93%). Molecular docking of C. sappan compounds, brazilin and sappanchalcone, showed high binding energies with multiple core target proteins (MAPK1, MAPK3, SRC, AKT1, and GRB2), indicating a synergistic multi-compound, multi-target mechanism, representing a hypothesis for future mechanistic validation. Kampramong’s ethnobotanical remedies, particularly C. sappan, are promising candidates for URT malignancy treatment and field cancerization prevention, offering valuable data for future drug development. Full article

Manganese is a raw material of increasing strategic importance owing not only to its fundamental role in steel production but also to its use in battery technologies, chemical processes, environmental applications, and advanced industrial fields. With the ongoing energy transition, the growing demand for battery-grade manganese has made it increasingly important to reassess the geological, mineralogical, and geochemical characteristics of manganese occurrences that are known from limited data. In this study, the manganese mineralization observed in the Kulu–Kozanlı area of Central Anatolia was investigated using field observations, ore microscopy, XRD, SEM–EDS, major oxide and trace element geochemistry, and spatial data based on sampling locations. Major oxide and trace element data indicate that manganese enrichment is not homogeneous and is concentrated in specific zones. The results of Spearman correlation, PCA, HCA, and factor analysis reveal a clear opposition between MnO and SiO₂, whereas MnO tends to increase together with Cu, Ba, V, Ga, and Sr. XRD, SEM–EDS, and ore microscopy findings show that the mineralization is mainly represented by a Mn oxide/oxyhydroxide assemblage composed of manganite and pyrolusite, with local braunite. When all findings are evaluated together, the Kulu manganese mineralization is interpreted as a lithologically heterogeneous Mn mineralization associated with radiolarite/chert and carbonate–cherty levels within the Dereköy ophiolitic mélange and consistent with hydrothermal influence. Full article

Storm-cast macroalgae represent a vast, underutilized biomass in the Arctic. This study evaluates the mineral composition, safety, and nutritional potential of storm-cast versus attached macroalgae from the Barents and White Seas to determine their suitability for commercial application. Mineral profiles (K, Na, Ca, Mg, As, Zn, Fe, Cu, Hg, Pb, and Cd) were determined by atomic absorption spectroscopy (AAS), while iodine (I) was analysed via iodometric titration. All elemental data were subsequently evaluated using ANOVA, principal component analysis (PCA), and hierarchical cluster analysis (HCA). Human health risks were assessed via Hazard Index (HI) and Lifetime Cancer Risk (LTCR) models based on the inorganic arsenic fraction. Storm-cast macroalgae exhibited a senescent post-detachment profile characterized by significant potassium and iodine leaching (p < 0.05) and iron enrichment from sediment entrapment. Despite leaching, iodine levels (up to 3.8 mg/g d.w.) satisfied pharmacopoeial minimums, though autumn White Sea samples exceeded the upper limit, necessitating blending with lower-iodine material. Toxic heavy metals remained below quantification limits, and total arsenic was well within regulatory thresholds. PCA confirmed that biomass physiological state is the primary driver of elemental variance. Adult consumption of storm-cast macroalgae was safe, whereas the pediatric HI exceeded 1.0. Overall, Arctic storm-cast macroalgae exhibit a high level of elemental purity, representing a promising raw material with a low chemical health risk for potential functional food and pharmaceutical applications. Full article

Walnut kernels are highly valued for their mineral, vitamin, protein, lipid, and polyphenol content. To understand their nutritional value, quality, and potential for human consumption and industrial use, the chemical composition of different genotypes must be analyzed. The kernel composition of 41 walnut genotypes (31 Romanian, 8 Moldovan, and 2 American) from the Research Institute for Fruit Growing Pitesti germplasm collection in Romania was analyzed. The following parameters were analyzed: moisture, ash, sugars, lipids, polyphenols, tannins, flavonoids, carotenoids, and anthocyanins. The Moldovan genotypes exhibited the highest average kernel moisture and ash content, outperforming the Romanian average, while the individual American cultivars sat between them. Regarding sugar content, ‘Hartley’ cv. recorded the highest individual level, followed by the Romanian and Moldovan averages, whereas ‘Chandler’ cv. displayed lower values. For lipids and polyphenolic fractions, ‘Chandler’ cv. prominently surpassed both regional averages, while ‘Hartley’ cv. recorded values well below them, though both American cultivars excelled individually in anthocyanin accumulation. ATR-FTIR spectroscopy combined with second-derivative Savitzky–Golay preprocessing further supported the observed compositional variability. The most discriminative spectral regions were 3050–2800 cm⁻¹ and 1800–900 cm⁻¹, which are mainly associated with functional groups related to lipids, proteins, and carbohydrates. Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA) identified distinct compositional groups, with lipid-related spectral features representing the main source of variability among the samples. These results emphasize the significant biochemical diversity among walnut genotypes and support the selection of cultivars with valuable nutritional and technological properties. Full article

In this study, honey samples collected from the Varda Plateau (İkizdere Valley, Rize) and Yusufeli regions of northeastern Türkiye were comprehensively characterized in terms of their melissopalynological, physicochemical, elemental, and volatile properties. Ten honey samples collected from different apiaries were analyzed. Melissopalynological results identified two samples as monofloral Castanea sativa (chestnut) honeys and three samples as Myosotis-dominant honeys, while the remaining samples were classified as multifloral. The pollen spectra reflected the rich floristic diversity of the region, shaped by both forest vegetation and high-altitude herbaceous flora. Moisture and proline analyses indicated that the investigated samples were consistent with the characteristics of natural and well-matured honeys. Volatile compound analysis by HS-SPME/GC–MS revealed substantial qualitative and quantitative differences among samples, with chestnut and Myosotis honeys generally exhibiting more distinctive aroma profiles than multifloral honeys. Benzaldehyde, furfural, nonane, and linalool derivatives were among the most frequently detected volatile compounds, although their relative abundances varied considerably among samples. Elemental analysis identified potassium as the predominant mineral in all honey samples, while significant variability was observed for Fe, Zn, Mn, Ni, and Cu concentrations. Particularly, the Yusufeli samples were characterized by markedly higher Fe and Cu contents than the Varda samples, indicating a strong geographical influence on elemental composition. Multivariate analyses, including PCA, HCA, and UpSet analysis, confirmed considerable compositional heterogeneity and demonstrated that both botanical and geographical origins contribute to honey differentiation. Overall, the findings provide new insights into the chemical and botanical characteristics of chestnut, Myosotis, and multifloral honeys from the Eastern Black Sea region and highlight the value of integrated analytical and chemometric approaches for honey characterization, classification, and origin assessment. Full article

The development of more accessible perfumes (non-counterfeit replicas) that offer a similar scent to luxury perfume brands is an emerging trend in the perfume market. In this context, it is important to develop simple, rapid, cost-effective, and environmentally friendly alternative analytical tools capable of differentiating original perfumes from their non-counterfeit replicas. In this work, three vibrational spectroscopic techniques, namely near-infrared (NIR), mid-infrared (MIR), and Raman spectroscopy, were evaluated for the discrimination between original perfume samples and their non-counterfeit replicas. Several original perfume samples and their non-counterfeit replicas were scanned through these vibrational spectroscopic techniques and analyzed with two chemometric tools: principal component analysis (PCA) and hierarchical cluster analysis (HCA). Different pre-processing techniques were also tested in PCA and HCA to attest to the robustness of the findings. The results revealed that all vibrational spectroscopic techniques tested demonstrated high efficiency in differentiating original perfumes from their non-counterfeit replicas. NIR spectroscopy revealed the least similarity among the samples across all pre-processing techniques. In this context, these vibrational spectroscopic techniques are a rapid, cost-effective, non-destructive, and interesting alternative for discriminating between original perfume samples and non-counterfeit replicas. Although further studies, including the application of supervised classification methods to a larger sample set, are needed to attest to the robustness of these results, these preliminary results are very interesting and promising. To the best of our knowledge, this was the first time that vibrational spectroscopic techniques were applied and compared in the analysis of perfume and non-counterfeit replicas. Full article

Municipal waste management is a major challenge for sustainable development, as it is strongly influenced by socioeconomic dynamics, seasonality, and the local institutional framework. In this context, this study aims to analyze the seasonality and structure of municipal waste streams at the county level, using monthly operational data provided by the Integrated Waste Management System in Bacău County, Romania. The analysis is based on descriptive statistical methods, seasonal indicators, nonparametric statistical tests, and exploratory multivariate techniques. Seasonal variability was assessed by calculating monthly and seasonal indices, and differences between seasons were tested using the Kruskal–Wallis test. Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA) were used to explore the relationships between waste generation patterns and selected temporal, socioeconomic, calendar, and climatic factors. The results of the analyses reveal a pronounced seasonal pattern, characterized by minimum waste generation during the cold season and maximum generation during the summer months. Residual waste dominates the overall composition throughout the year, while the share of recyclable waste remains low, and the fractional composition remains relatively stable across seasons. Statistical tests confirm the existence of significant seasonal differences between contrasting periods, and multivariate analyses indicate that municipal waste variability is more closely associated with temporal factors and with the socioeconomic indicator considered in this study (average monthly net wage), while climatic variables show weaker associations. From an operational perspective, the results highlight the need to seasonally adjust municipal waste collection, transportation, and treatment capacities, particularly during peak generation periods. By providing a detailed case study at the county level, based on real data, the research contributes to the literature on the seasonality of municipal waste and supports evidence-based management decisions at the local and regional levels, in line with European policy objectives. Full article

The Mugalzhar horse is an important native breed of Kazakhstan, valued for its adaptability, milk production, and meat productivity under extensive pasture-based management. This study evaluated the relationships among first-lactation milk yield, productive longevity, lifetime milk production, growth, morphometric traits, and milk composition in the Mugalzhar horse breed using data from 100 mares with complete lifetime production records, 108 adult mares and 12 stallions for morphometric evaluation, and 68 foals (35 colts and 33 fillies) for growth analysis. The study was conducted on Mugalzhar horses maintained at the “Senim” farm in the Turkestan region of Kazakhstan. Morphometric measurements of adult horses, growth dynamics of foals from birth to 18 months of age, milk productivity records, productive longevity indicators, and milk composition data were analyzed. PCA, Pearson correlation analysis, and HCA were applied to assess relationships among productive and compositional traits. Adult stallions and mares closely conformed to breed standards, with stallions exceeding mares by approximately 7.8% in live weight. Foals exhibited intensive postnatal growth, with live weight increasing 6.8–6.9-fold between birth and 18 months of age. Milk yield increased from 722.3 kg during the first lactation to 986.9 kg during the fifth lactation before declining in later lactations, whereas milk composition remained relatively stable. Moderate-to-high first-lactation milk yield groups (G3–G4) achieved the greatest lifetime milk production (24,961–25,997 kg), longest productive life (7.9–8.5 years), and highest number of completed lactations (6.6–6.9). PCA revealed two major biological gradients representing productivity and longevity, while HCA identified G3–G4 as the most favorable production cluster. Milk fat and protein concentrations were negatively associated with milk yield traits. Moderate first-lactation milk yield was associated with the greatest lifetime productivity and longest productive herd life, whereas extremely high first-lactation milk yield was not associated with superior lifetime performance. These findings suggest that first-lactation milk yield may be considered together with longevity and other functional traits in future breeding programs for Mugalzhar horses; however, the results should be interpreted in light of the observational design of the present study. Full article