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Search Results (149)

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26 pages, 2747 KB  
Article
Eugenol-Based Epoxy Vitrimers: Caffeine and Zinc Acetate as Potential Alternative Catalysts in Curing Kinetics and Dynamic Network Properties
by Angela Y. Becerra-Lovera, Javier Mauricio Anaya-Mancipe, Rubén D. Díaz-Martin, Marcos Lopes Dias and Diego de Holanda Saboya Souza
Molecules 2026, 31(5), 783; https://doi.org/10.3390/molecules31050783 - 26 Feb 2026
Viewed by 498
Abstract
The development of sustainable vitrimers from bio-based sources addresses the need for high-performance recyclable materials. This research describes eugenol-derived epoxy vitrimers cross-linked with adipic acid as a curing agent, focusing on comparative effects of caffeine and zinc acetate as transesterification catalysts at 5 [...] Read more.
The development of sustainable vitrimers from bio-based sources addresses the need for high-performance recyclable materials. This research describes eugenol-derived epoxy vitrimers cross-linked with adipic acid as a curing agent, focusing on comparative effects of caffeine and zinc acetate as transesterification catalysts at 5 and 10% concentrations versus a non-catalyzed control. Both catalysts acted as curing accelerators, confirmed by FTIR and DSC analyses, revealing polyhydroxyester network formation through associative ester exchange enabling topological reorganization. Zinc acetate at 10% proved most efficient, achieving the lowest apparent activation energy (116.0 kJ/mol), highest crosslinking density (νe = 3.42 × 10−3 mol/cm3), improved thermal stability with unimodal degradation profile, and substantially reduced topology freezing transition temperature (Tv = 132 °C), confirming enhanced dynamic properties. Caffeine demonstrated catalytic activity, reducing apparent activation energy to 124.4 kJ/mol at 10% and promoting rapid epoxide conversion during initial curing at moderate temperatures. Although its catalytic efficiency is moderate compared to zinc acetate, its bio-based origin and non-toxic nature make it a promising green alternative for sustainable vitrimer applications. Results demonstrate that catalyst selection is crucial for tailoring curing kinetics, network structure, and final vitrimeric properties, providing key guidelines for designing advanced circular materials from bio-based precursors. Full article
(This article belongs to the Special Issue Synthesis, Characterization and Applications of Vitrimers)
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10 pages, 538 KB  
Proceeding Paper
Effect of Cultivation Region on the Physicochemical and Quality Characteristics of Arabica Coffee (Red Bourbon Variety) from Bean to Brew
by Ivan Hrab, Anastasiia Sachko, Oksana Sema, Kristina Gavrysh and Yuriy Khalavka
Eng. Proc. 2026, 124(1), 39; https://doi.org/10.3390/engproc2026124039 - 20 Feb 2026
Viewed by 570
Abstract
Caffeine is one of the most well-known biologically active compounds in coffee beans, and its content largely determines the taste and stimulating properties of the drink. However, the amount of caffeine in beans can vary significantly depending on growing conditions, even within the [...] Read more.
Caffeine is one of the most well-known biologically active compounds in coffee beans, and its content largely determines the taste and stimulating properties of the drink. However, the amount of caffeine in beans can vary significantly depending on growing conditions, even within the same coffee variety. The growing global demand for coffee and the current market dynamics emphasize the necessity to investigate how the origin of coffee beans influences beverage quality. Arabica beans, particularly the Red Bourbon variety, are known to exhibit variations in chemical composition, sensory characteristics, and technological behavior depending on their cultivation environment. The study aimed to evaluate the physicochemical and sensory properties of Arabica Red Bourbon beans sourced from distinct geographic regions, considering factors such as altitude and local environmental conditions. The sensory characteristics of the resulting beverages were evaluated using the capping method, and water activity, density, moisture content, color, pH, extractivity and caffeine content were determined. Roasted bean color ranged from 61.4 to 62.5, while ground coffee color was 72.5–75.4. Moisture content was highest in Col and R (3.4%) and lowest in Con (3.1%). The greatest moisture loss during roasting occurred in S and R (13.4%). Water activity decreased from 0.50–0.56 in green beans to 0.18–0.30 post-roasting. Extraction yield ranged from 20.03 to 21.21%, and total dissolved solids (TDS) varied at 1.23–1.30%. The least acidic sample was S (pH 5.04). Colombian beans contained unusually high caffeine. The conducted research confirmed that the geographical origin of Arabica Red Bourbon beans significantly impacts their physicochemical and sensory attributes. Variations in moisture, acidity, and caffeine content were observed among the samples, despite a consistent roasting profile. Full article
(This article belongs to the Proceedings of The 6th International Electronic Conference on Applied Sciences)
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23 pages, 1299 KB  
Article
Microwave-Assisted Extraction of Bioactive Compounds and Chemical Characterisation of Coffee By-Products and Coffee
by Antonela Ninčević Grassino, Veronika Kovač, Sandra Pedisić, Marinko Petrović and Zoran Zorić
Appl. Sci. 2026, 16(4), 1794; https://doi.org/10.3390/app16041794 - 11 Feb 2026
Viewed by 449
Abstract
This study reports the effective reuse of coffee residues from roasting and brewing processes using microwave-assisted extraction (MAE) of bioactive compounds. Principal Component Analysis (PCA) showed a significant impact (p < 0.001) on phenolic acid and alkaloid amounts among coffee (green and [...] Read more.
This study reports the effective reuse of coffee residues from roasting and brewing processes using microwave-assisted extraction (MAE) of bioactive compounds. Principal Component Analysis (PCA) showed a significant impact (p < 0.001) on phenolic acid and alkaloid amounts among coffee (green and roasted) and its by-products (silver skin and spent grounds). Furthermore, a linear mixed-effects model identified that, apart from sample type, extraction temperature (50 and 70 °C) and ethanol volume fractions (50 and 70%, v/v) considerably influenced the quantities of bioactive compounds. The best conditions were achieved using 70% (v/v) ethanol at 70 °C. In addition to caffeine and chlorogenic acid, which were found in the highest amounts, the coffee and by-product samples contained high levels of total fibre (20.7–27.8%) and total fat (1.5–12.4%). Fatty acid analysis showed a dominance of oleic acid (7.55–12.7%), palmitic acid (19.3–40.3%), and linoleic acid (15.6–41.8%), with their saturated and unsaturated nature confirmed by Fourier Transform Infrared (FTIR) Spectroscopy. The reported data highlight the potential of coffee by-products as high-value sources for bioactive compound recovery. Full article
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20 pages, 772 KB  
Systematic Review
Cognitive Effects of Taurine and Related Sulphur-Containing Amino Acids: A Systematic Review of Human Trials and Considerations for Plant-Based Dietary Transitions
by Jack A. Moore, Alecia L. Cousins, Rebecca M. J. Taylor, Amy R. Griffiths and Hayley A. Young
Foods 2026, 15(4), 634; https://doi.org/10.3390/foods15040634 - 10 Feb 2026
Viewed by 932
Abstract
As diets shift towards more plant-based patterns, nutrients mainly supplied by animal-sourced foods are receiving greater attention. Among these are sulphur-containing amino acids (SCAAs) such as taurine, methionine, and cysteine. These compounds play important roles in neuroprotection, antioxidant defence, and cellular signalling; functions [...] Read more.
As diets shift towards more plant-based patterns, nutrients mainly supplied by animal-sourced foods are receiving greater attention. Among these are sulphur-containing amino acids (SCAAs) such as taurine, methionine, and cysteine. These compounds play important roles in neuroprotection, antioxidant defence, and cellular signalling; functions that are closely linked to cognitive health. This systematic review examined the effects of SCAA supplementation on cognitive performance in randomised controlled trials (RCTs). Eight RCTs involving 244 healthy participants met the inclusion criteria. All trials focused exclusively on taurine; no studies were found that tested methionine or cysteine. Each used an acute, single-dose design, assessing key cognitive domains and mood outcomes. Overall, acute doses of taurine (typically 1–3 g, up to ~50 mg/kg) produced, at best, small and inconsistent improvements in cognitive function. Most cognitive outcomes showed no effect. Trials that combined taurine with caffeine showed more reliable performance benefits, but they did not isolate taurine’s independent effects. Similarly, any positive effects on mood or well-being were minor, inconsistent, and typically observed only under specific conditions, such as when taurine was combined with caffeine, exercise, or sleep deprivation. Importantly, none of the studies measured participants’ habitual diets, baseline SCAA status, or specifically recruited individuals with low intake of animal-source foods. This means the cognitive effects of reduced SCAA intake in plant-based diets remain unknown. Current evidence from acute taurine trials provides limited support for short-term benefits to cognition or mood. Longer-term, well-designed studies are urgently needed. These should assess habitual diet and baseline SCAA status and focus on populations with lower animal-derived food intake. Only then can we determine whether lower SCAA availability in plant-based diets represents a nutritional ‘green gap’ with implications for brain health. Full article
(This article belongs to the Section Nutraceuticals, Functional Foods, and Novel Foods)
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18 pages, 1241 KB  
Article
Coffee Cascara as a Source of Natural Antimicrobials: Chemical Characterization and Activity Against ESKAPE Pathogens
by Merike Vaher and Olga Bragina
Molecules 2026, 31(3), 403; https://doi.org/10.3390/molecules31030403 - 24 Jan 2026
Viewed by 662
Abstract
Coffee cascara is a byproduct of coffee production traditionally used for infusions and animal feed. In this study, aqueous extracts of cascara from three different sources (Cas1–Cas3) were analyzed for their polyphenol and flavonoid content, as well as the concentrations of key individual [...] Read more.
Coffee cascara is a byproduct of coffee production traditionally used for infusions and animal feed. In this study, aqueous extracts of cascara from three different sources (Cas1–Cas3) were analyzed for their polyphenol and flavonoid content, as well as the concentrations of key individual bioactive compounds including caffeine, trigonelline, chlorogenic acid, and protocatechuic acid. Among the tested samples, Cas1 exhibited the highest total polyphenol (802.2 mg GAE/L) and flavonoid (134.7 mg QE/L) contents. The antibacterial activity of these extracts and an artificial mixture of the four compounds were evaluated against ESKAPE pathogens. Cas1 exhibited the most promising antibacterial effect, with minimal bactericidal concentration (MBC) values as low as 0.03 mg/mL for S. aureus and A. baumannii, and 0.26 mg/mL for P. aeruginosa. The artificial mixture, despite containing higher concentrations of the major compounds, exhibited reduced efficacy (MBC of 0.04 mg/mL for S. aureus and 0.15 mg/mL for A. baumannii, respectively), highlighting the superior activity of the native extracts. These results indicate that cascara extracts possess strong antibacterial activity, which correlates with their content of bioactive compounds, mainly polyphenols and alkaloids. The pronounced efficacy of the native extracts compared to the artificial mixture suggests that minor constituents in cascara may synergistically contribute to antibacterial effects. The present study highlights the potential of cascara aqueous extracts as natural multi-component antimicrobial agents, particularly against clinically relevant pathogens such as A. baumannii. Full article
(This article belongs to the Special Issue Biological Evaluation of Plant Extracts)
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17 pages, 299 KB  
Review
Coffee Versus Caffeine as Ergogenic Aids: Biological and Methodological Distinctions with Implications for Exercise Performance and Recovery
by Przemysław Domaszewski
Nutrients 2026, 18(2), 328; https://doi.org/10.3390/nu18020328 - 20 Jan 2026
Cited by 1 | Viewed by 1562
Abstract
Background: Caffeine is a well-established ergogenic aid, yet most experimental evidence is based on isolated caffeine, whereas habitual intake in both the general and physically active populations occurs mainly through coffee. This gap between experimental models and everyday practice complicates the interpretation [...] Read more.
Background: Caffeine is a well-established ergogenic aid, yet most experimental evidence is based on isolated caffeine, whereas habitual intake in both the general and physically active populations occurs mainly through coffee. This gap between experimental models and everyday practice complicates the interpretation of existing findings. Objective: This review compares coffee and isolated caffeine as ergogenic aids, focusing on biological mechanisms, methodological differences, tolerability, and context-dependent use in sport and exercise. Methods: A narrative review of human studies examining the effects of coffee and isolated caffeine on exercise performance, fatigue, and post-exercise recovery was conducted, with attention being paid to dosing accuracy, bioavailability, inter-individual variability, and the influence of the coffee matrix. Results: Isolated caffeine consistently improves performance under controlled conditions. Coffee can produce similar ergogenic effects, particularly in endurance exercise, although responses are more variable due to differences in caffeine content and individual sensitivity. Emerging evidence suggests that coffee, especially when consumed with carbohydrates, may support post-exercise glycogen resynthesis. Coffee also appears to be better tolerated by many individuals and provides additional bioactive compounds with antioxidant and anti-inflammatory properties. Conclusions: Coffee and isolated caffeine should not be viewed as interchangeable ergogenic strategies. While isolated caffeine remains useful in experimental settings, coffee represents a more ecologically relevant and potentially safer source of caffeine in applied practice. Further direct comparative studies are needed to clarify their context-specific roles. Full article
(This article belongs to the Section Sports Nutrition)
25 pages, 4469 KB  
Article
Spirulina and Chlorella Dietary Supplements—Are They a Source Solely of Valuable Nutrients?
by Małgorzata Sochacka, Bartosz Kózka, Eliza Kurek and Joanna Giebułtowicz
Int. J. Mol. Sci. 2025, 26(21), 10468; https://doi.org/10.3390/ijms262110468 - 28 Oct 2025
Viewed by 5494
Abstract
Spirulina and Chlorella are nutrient-rich microalgae widely consumed as dietary supplements; however, their high biosorption capacity raises concerns regarding the accumulation of environmental contaminants. This study analyzed 52 commercially available Spirulina and Chlorella products (29 conventional, 23 organic) to assess the co-occurrence of [...] Read more.
Spirulina and Chlorella are nutrient-rich microalgae widely consumed as dietary supplements; however, their high biosorption capacity raises concerns regarding the accumulation of environmental contaminants. This study analyzed 52 commercially available Spirulina and Chlorella products (29 conventional, 23 organic) to assess the co-occurrence of heavy metals and pharmaceutical residues, as these two classes of contaminants represent distinct yet complementary indicators of environmental pollution—heavy metals reflect long-term inputs from natural and industrial sources, while pharmaceuticals signal more recent contamination linked to human activity and wastewater discharge. To the best of our knowledge, this is the first study to investigate the presence of pharmaceutical residues—including cardiovascular drugs, antidepressants, antibiotics, and sulfonamides—in both conventional and organic formulations of microalgae-based dietary supplements. The analyses were performed using Inductively Coupled Plasma Mass Spectrometry and liquid chromatography coupled to tandem mass spectrometry. Aluminum, manganese, strontium, and zinc were the dominant trace elements. All samples complied with EU regulatory limits for toxic metals. More importantly, a wide range of pharmaceutical residues was detected in the supplements. Caffeine was the most frequently found compound, followed by metronidazole, carbamazepine, benzocaine, and tramadol. Particular concern is raised by the calculated TWI (% of tolerable weekly intake) for aluminum. Principal Component Analysis revealed significant compositional differences between Spirulina and Chlorella products, with vanadium notably elevated in conventionally cultivated Spirulina. Surprisingly, no significant differences were observed between organic and conventional products within each algal type. Our findings provide a novel contribution to the field by highlighting the presence of pharmaceutical residues in microalgae-based supplements and addressing a critical knowledge gap concerning potential chronic exposure to these contaminants through dietary intake. Full article
(This article belongs to the Special Issue Metals and Metal Ions in Human Health, Diseases, and Environment)
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18 pages, 2536 KB  
Article
Agronomic Potential and Limitations of Factory-Derived Tea Waste in Kale Cultivation Under Drought Stress
by Alparslan Oğuz and Hatice Filiz Boyacı
Agronomy 2025, 15(11), 2478; https://doi.org/10.3390/agronomy15112478 - 25 Oct 2025
Cited by 1 | Viewed by 1012
Abstract
Plant-derived wastes are increasingly explored as organic matter sources for sustainable agriculture. Tea waste, a by-product of industrial tea processing, is often regarded as an environmental pollutant, yet its potential for agricultural use remains conditional and requires careful evaluation. This study examined the [...] Read more.
Plant-derived wastes are increasingly explored as organic matter sources for sustainable agriculture. Tea waste, a by-product of industrial tea processing, is often regarded as an environmental pollutant, yet its potential for agricultural use remains conditional and requires careful evaluation. This study examined the effects of factory-derived tea waste on kale (Brassica oleracea var. acephala) under drought stress. Plants were grown in soils amended with 5% or 10% tea waste and subjected to mild (75% field capacity) and moderate (50% field capacity) water deficits, compared with full irrigation (100% field capacity). Fifteen morphological and physiological parameters were assessed, and data were analyzed using principal component analysis (PCA) and correlation heatmaps to identify trait associations and stress markers. Drought stress significantly reduced all growth and yield traits, with stronger effects under more severe water deficit. Tea waste generally exacerbated stress impacts, increasing damage indices, reducing plant height, and lowering chlorophyll values. However, 10% tea waste under non-stress conditions increased plant and root dry weights without negatively affecting other traits, suggesting a partial nutrient contribution. In contrast, 5% tea waste aggravated stress effects, likely due to phenolic and caffeine toxicity. Overall, raw tea waste was found to be unsuitable for kale production under drought conditions. To harness its potential, bioactive compounds must be degraded or removed, and the material stabilized through composting or biochar conversion for safe integration into drought-resilient systems. Full article
(This article belongs to the Section Horticultural and Floricultural Crops)
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21 pages, 323 KB  
Review
Pregnancy and Caffeine Metabolism: Updated Insights and Implications for Maternal–Fetal Health
by Katarzyna Maria Struniewicz, Magdalena Maria Ptaszek, Alicja Marianna Ziółkowska, Aneta Nitsch-Osuch and Aleksandra Kozłowska
Nutrients 2025, 17(19), 3173; https://doi.org/10.3390/nu17193173 - 8 Oct 2025
Cited by 1 | Viewed by 11047
Abstract
Caffeine is one of the most widely consumed psychoactive substances globally and is a common component of daily diets, particularly among women of reproductive age. Numerous in vitro and in vivo studies have indicated potential adverse effects of prenatal caffeine exposure, including disturbances [...] Read more.
Caffeine is one of the most widely consumed psychoactive substances globally and is a common component of daily diets, particularly among women of reproductive age. Numerous in vitro and in vivo studies have indicated potential adverse effects of prenatal caffeine exposure, including disturbances in fetal growth, metabolic dysregulation, organ malformations, and neurodevelopmental alterations. These findings suggest that caffeine may influence multiple physiological pathways during gestation, including epigenetic modifications and metabolic programming. However, evidence from human studies remains heterogeneous and often inconclusive. Recent cohort studies and meta-analyses have reported that moderate maternal caffeine intake is not significantly associated with increased risks of gestational diabetes mellitus, gestational hypertension, or preeclampsia, although higher intake levels have been linked to anemia, preterm birth, and low birth weight in some populations. Furthermore, emerging data suggest potential associations between prenatal caffeine exposure and early neurodevelopmental outcomes, including behavioral changes, subtle structural brain differences, and alterations in offspring metabolic health and obesity risk. Despite these findings, the magnitude and clinical relevance of these effects remain uncertain, partly due to variability in caffeine sources, dosages, study designs, and reliance on self-reported intake. This review aims to synthesize current evidence on maternal caffeine consumption, its impact on pregnancy complications, fetal development, and long-term child health outcomes. By integrating experimental and clinical data, the study provides a comprehensive overview that may assist clinicians and healthcare professionals in counseling pregnant women regarding caffeine intake and potential risks. Full article
(This article belongs to the Special Issue Nutrition, Diet and Metabolism in Pregnancy)
28 pages, 4110 KB  
Review
The Potential of Coffee and Olive by Products as Ingredient in Cosmetics Formulations and Their Extraction Techniques
by Ana Matilde Ferreira, Rita C. Alves, Bernardo Bastos, Maria Beatriz P. P. Oliveira, Ana Casas and Hugo Almeida
Cosmetics 2025, 12(5), 206; https://doi.org/10.3390/cosmetics12050206 - 16 Sep 2025
Viewed by 2267
Abstract
This review concentrates on the bioactive potential of two significant agri-food by-products: coffee by-products (coffee pulp and husk, spent coffee grounds, and silverskin) and olive by-products (olive mill wastewater, pomace, stones, and leaves). These residues are produced in substantial quantities, and despite their [...] Read more.
This review concentrates on the bioactive potential of two significant agri-food by-products: coffee by-products (coffee pulp and husk, spent coffee grounds, and silverskin) and olive by-products (olive mill wastewater, pomace, stones, and leaves). These residues are produced in substantial quantities, and despite their considerable application potential, they remain predominantly underutilized, thereby contributing to environmental burdens and economic losses. Their richness in bioactive compounds is unequivocal. Specifically, coffee by-products are abundant in caffeine and chlorogenic acids, whereas olive by-products serve as excellent sources of oleuropein, hydroxytyrosol, and tyrosol. Such compounds possess health-promoting properties and are promising active ingredients for cosmetic formulations, owing to their antioxidant, anti-aging, UV protective, antimicrobial, emollient, and moisturizing effects. This review not only compiles the bioactive compounds present in these by-products and explores their potential applications but also examines the extraction methods employed for their recovery. Both conventional techniques (solvent extraction) and green extraction technologies (ultrasound-assisted extraction, microwave-assisted extraction, and supercritical fluid extraction) are discussed. These innovative and environmentally friendly approaches enhance extraction efficiency and are aligned with sustainability objectives. In this context, the importance of incorporating natural ingredients into cosmetic products is emphasized, both to meet regulatory and environmental standards and to satisfy the increasing consumer demand for safer, more effective, and environmentally sustainable formulations. Full article
(This article belongs to the Topic New Challenges in the Cosmetics Industry)
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14 pages, 2807 KB  
Article
Effects of Caffeine on Dental Mesenchymal Stem Cells: Implications for Regenerative Applications
by Axel Alejandro Lugo-Sanchez, Patricia Alejandra Chavez-Granados, Carlos A. Jurado, Ziyad Allahem, Jorge Emmanuel Ramirez-Lopez, Christian Andrea Lopez-Ayuso, Benjamin Aranda-Herrera, Abdulrahman Alshabib and Rene Garcia-Contreras
J. Funct. Biomater. 2025, 16(9), 314; https://doi.org/10.3390/jfb16090314 - 29 Aug 2025
Viewed by 2012
Abstract
Periodontal therapy remains a complex task in dentistry as current methodologies often tend to induce tissue repair rather than regeneration. Caffeine is an alkaloid found in multiple natural sources, which has been reported to have multiple beneficial effects, such as promoting adipogenic differentiation, [...] Read more.
Periodontal therapy remains a complex task in dentistry as current methodologies often tend to induce tissue repair rather than regeneration. Caffeine is an alkaloid found in multiple natural sources, which has been reported to have multiple beneficial effects, such as promoting adipogenic differentiation, a key factor in tissue regeneration. Unfortunately, it has also been reported to decrease cell viability and reduce osteogenic and chondrogenic differentiation, both of which play an important role in regenerative medicine. In this study, we aimed to find a non-cytotoxic dose of purified caffeine over dental pulp stem cells (DPSCs) that could provide its beneficial effects over adipogenesis, while reducing the negative effect upon osteogenesis and chondrogenesis. Additional experiments were conducted to determine its impact upon the expression of pro-inflammatory enzymes, and antibacterial assays to assess a potential antibacterial effect. The results attested that purified caffeine at a dose of 8.03 μM holds no viability reduction effect, nor has any impact on the expression of pro-inflammatory enzymes, promotes adipogenic differentiation, and does not negatively affect osteogenic or chondrogenic differentiation, with any antibacterial effect against Streptococcus mutans, Escherichia coli, and Staphylococcus aureus. These findings suggest that purified caffeine at a dose of 8.03 μM has the potential to aid in the field of regenerative dentistry. Full article
(This article belongs to the Special Issue Advances in Biomaterials for Oral and Dental Tissue Engineering)
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30 pages, 5440 KB  
Article
Canals, Contaminants, and Connections: Exploring the Urban Exposome in a Tropical River System
by Alan D. Ziegler, Theodora H. Y. Lee, Khajornkiat Srinuansom, Teppitag Boonta, Jongkon Promya and Richard D. Webster
Urban Sci. 2025, 9(8), 302; https://doi.org/10.3390/urbansci9080302 - 4 Aug 2025
Viewed by 2912
Abstract
Emerging and persistent contaminants (EPCs) were detected at high concentrations in Chiang Mai’s Mae Kha Canal, identifying urban waterways as important sources of pollution in the Ping River system in northern Thailand. Maximum levels of metformin (20,000 ng/L), fexofenadine (15,900 ng/L), gabapentin (12,300 [...] Read more.
Emerging and persistent contaminants (EPCs) were detected at high concentrations in Chiang Mai’s Mae Kha Canal, identifying urban waterways as important sources of pollution in the Ping River system in northern Thailand. Maximum levels of metformin (20,000 ng/L), fexofenadine (15,900 ng/L), gabapentin (12,300 ng/L), sucralose (38,000 ng/L), and acesulfame (23,000 ng/L) point to inadequately treated wastewater as a plausible contributor. Downstream enrichment patterns relative to upstream sites highlight the cumulative impact of urban runoff. Five compounds—acesulfame, gemfibrozil, fexofenadine, TBEP, and caffeine—consistently emerged as reliable tracers of urban wastewater, forming a distinct chemical fingerprint of the riverine exposome. Median EPC concentrations were highest in Mae Kha, lower in other urban canals, and declined with distance from the city, reflecting spatial gradients in urban density and pollution intensity. Although most detected concentrations fell below predicted no-effect thresholds, ibuprofen frequently approached or exceeded ecotoxicological benchmarks and may represent a compound of ecological concern. Non-targeted analysis revealed a broader “chemical cocktail” of unregulated substances—illustrating a witches’ brew of pollution that likely escapes standard monitoring efforts. These findings demonstrate the utility of wide-scope surveillance for identifying key compounds, contamination hotspots, and spatial gradients in mixed-use watersheds. They also highlight the need for integrated, long-term monitoring strategies that address diffuse, compound mixtures to safeguard freshwater ecosystems in rapidly urbanizing regions. Full article
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23 pages, 1729 KB  
Article
Pharmaceutical Contaminants Occurrence and Ecological Risk Assessment Along the Romanian Black Sea Coast
by Vasile-Ion Iancu, Laura-Florentina Chiriac, Iuliana Paun, Cristina Dinu, Florinela Pirvu, Victor Cojocaru, Anda Gabriela Tenea and Ioana Antonia Cimpean
Toxics 2025, 13(6), 498; https://doi.org/10.3390/toxics13060498 - 13 Jun 2025
Cited by 7 | Viewed by 1888
Abstract
The work aimed to investigate the presence of pharmaceutical compounds from the anti-inflammatory class in seawater from the Romanian Black Sea coast and to assess the ecological risk of these substances on the most sensitive organisms. Using the solid-phase extraction technique (SPE) followed [...] Read more.
The work aimed to investigate the presence of pharmaceutical compounds from the anti-inflammatory class in seawater from the Romanian Black Sea coast and to assess the ecological risk of these substances on the most sensitive organisms. Using the solid-phase extraction technique (SPE) followed by liquid chromatography separation and mass spectrometry detection (LC-MS/MS) of the compounds, the concentrations of these contaminants in selected seawater samples were determined. Ibuprofen was the most commonly detected compound with a frequency of 42.9%, followed by ketoprofen at 31.0.%, diclofenac at 23.8%, and naproxen at 21.4%. The maximum concentrations of pharmaceutical products varied between 13.4 ng/L ketoprofen and 13,575 ng/L caffeine. The order of decreasing maximum concentrations of pharmaceutical compounds in the water of the Black Sea was CAF > IBU > NAP > DIC > KET. The dominant and ubiquitous compound that was determined with the maximum concentration values was caffeine. Strong correlations were observed between three compounds (naproxen: diclofenac, diclofenac: ketoprofen) suggesting the same pollution source. Through the ecological risk assessment, it was observed that both caffeine and ibuprofen can generate high ecological risks for some echinoderms, crustaceans, and fish. Full article
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16 pages, 2946 KB  
Article
Functionally Isolated Sarcoplasmic Reticulum in Cardiomyocytes: Experimental and Mathematical Models
by Diogo C. Soriano, Rosana A. Bassani and José W. M. Bassani
Bioengineering 2025, 12(6), 627; https://doi.org/10.3390/bioengineering12060627 - 9 Jun 2025
Viewed by 893
Abstract
The interaction among the various Ca2+ transporters complicates the assessment of isolated systems in an intact cell. This article proposes the functionally isolated SR model (FISRM), a hybrid (experimental and mathematical) approach to study Ca2+ cycling between the cytosol and the [...] Read more.
The interaction among the various Ca2+ transporters complicates the assessment of isolated systems in an intact cell. This article proposes the functionally isolated SR model (FISRM), a hybrid (experimental and mathematical) approach to study Ca2+ cycling between the cytosol and the sarcoplasmic reticulum (SR), the main source of Ca2+ for contraction in mammalian cardiomyocytes. In FISRM, the main transmembrane Ca2+ transport pathways are eliminated by using a Na+, Ca2+-free extracellular medium, and SR Ca2+ release is elicited by a train of brief caffeine pulses. Two compounds that exert opposite effects on the SR Ca2+ uptake were characterized by this approach in isolated rat ventricular cardiomyocytes. The experimental FISRM was simulated with a simple mathematical model of Ca2+ fluxes across the SR membrane, based on a previous model adapted to the present conditions. To a fair extent, the theoretical model could reproduce the experimental results, and confirm the main assumption of the experimental model: that the only relevant Ca2+ fluxes occur across the SR membrane. Thus, the FISRM seems to be a valuable framework to investigate the SR Ca2+ transport in intact cardiomyocytes under physiological and pathophysiological conditions, and to test therapeutic approaches targeting SR proteins. Full article
(This article belongs to the Special Issue Computational Models in Cardiovascular System)
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17 pages, 1366 KB  
Article
1H NMR-Based Analysis to Determine the Metabolomics Profile of Solanum nigrum L. (Black Nightshade) Grown in Greenhouse Versus Open-Field Conditions
by Lufuno Ethel Nemadodzi, Gudani Millicent Managa and Ndivho Nemukondeni
Metabolites 2025, 15(5), 344; https://doi.org/10.3390/metabo15050344 - 21 May 2025
Cited by 1 | Viewed by 2649
Abstract
Background: Equally with other indigenous green leafy vegetables, Solunum nigrum L. has been widely consumed by the VhaVenda tribe found in the Limpopo Province of South Africa since ancient times as a source of food diversification due to its higher-quality nutritional value, sustainability, [...] Read more.
Background: Equally with other indigenous green leafy vegetables, Solunum nigrum L. has been widely consumed by the VhaVenda tribe found in the Limpopo Province of South Africa since ancient times as a source of food diversification due to its higher-quality nutritional value, sustainability, food security, and medicinal benefits. It is mostly cultivated from seeds in seedling trays and transplanted in the open field, and at the maturity stage, marketing and distribution are mainly conducting through informal markets (i.e., street vendors). However, recently, it can be found in selected supermarkets and commercial grocery stores in South Africa. The leaves and young shoots of S. nigrum are cooked solely and/or as a supplementary vegetable with Brassica rapa L. subsp. chinensis (Chinese cabbage), Spinacia oleracea L. (spinach), Amaranthus graecizans L. (green amaranth), Solanum lycopersicum L. (tomato), and/or cooking oil for flavor. Objective: Contrary to other green leafy vegetables, few studies have been conducted on the metabolites released by S. nigrum and the influence of growing conditions on the metabolites thereof. Method: A 1H-nuclear magnetic resonance tool was used to identify the untargeted metabolites released by S. nigrum, and spectra were phase-corrected and binned with MestReNova and statistically analyzed with SIMCA 18.0.2. Results: The findings showed that a total of 12 metabolites were detected between the growing conditions. Eleven similar metabolites, such as glycocholate, chlorogenate (human health benefits), caffeine for its bitter taste, choline, 3-Chlorotyrosine (antidiabetic, blood pressure), etc., and a few vital soluble sugars, were detected in S. nigrum samples grown in the open field and greenhouse-cultivated. Glucose was exclusively detected in the S. nigrum grown under greenhouse conditions. Full article
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