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21 pages, 6736 KB  
Review
From Traditional Use to Molecular Mechanisms: A Bioinformatic and Pharmacological Review of the Genus Kalanchoe with In Silico Evidence
by Cristián Raziel Delgado-González, Ashutosh Sharma, Margarita Islas-Pelcastre, Mariana Saucedo-García, Eliazar Aquino-Torres, Jaime Pacheco-Trejo, Silvia Armenta-Jaime, Nallely Rivero-Pérez and Alfredo Madariaga-Navarrete
BioTech 2025, 14(4), 97; https://doi.org/10.3390/biotech14040097 - 12 Dec 2025
Abstract
The genus Kalanchoe (Crassulaceae) comprises approximately 125 species of succulents distributed across Madagascar, Africa, Arabia, Australia, Southeast Asia, and tropical America. Traditionally regarded as “miracle plants”, Kalanchoe species are employed for treating inflammatory, infectious, metabolic, and cardiovascular conditions; this is associated with their [...] Read more.
The genus Kalanchoe (Crassulaceae) comprises approximately 125 species of succulents distributed across Madagascar, Africa, Arabia, Australia, Southeast Asia, and tropical America. Traditionally regarded as “miracle plants”, Kalanchoe species are employed for treating inflammatory, infectious, metabolic, and cardiovascular conditions; this is associated with their abundant content of polyphenols, including phenolic acids and flavonoids such as quercetin, kaempferol, luteolin, rutin, and patuletin. However, robust clinical evidence remains limited. This review integrates pharmacological and bioinformatic perspectives by analyzing more than 70 studies published since 2000 on 15 species, including Bryophyllum. As an in silico complement, the genome of Kalanchoe fedtschenkoi was used to predict genes (AUGUSTUS), perform homology searches against Arabidopsis thaliana, and model three key enzymes: CHS, CYP90, and VEP1. The AlphaFold2/ColabFold models showed conserved catalytic motifs, and molecular docking with representative ligands supported the plausibility of biosynthetic pathways for flavonoids, brassinosteroids, and bufadienolides. The available evidence highlights chemopreventive, antibacterial, anti-inflammatory, antiviral, antioxidant, and cytotoxic activities, primarily associated with flavonoids and bufadienolides. Significant gaps remain, such as the lack of gene–metabolite correlations and the absence of standardized clinical trials. Overall, Kalanchoe represents a promising model that requires multi-omics approaches to enhance its phytopharmaceutical potential. Full article
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19 pages, 24785 KB  
Article
Capsicum Counting Algorithm Using Infrared Imaging and YOLO11
by Enrico Mendez, Jesús Arturo Escobedo Cabello, Alfonso Gómez-Espinosa, Jose Antonio Cantoral-Ceballos and Oscar Ochoa
Agriculture 2025, 15(24), 2574; https://doi.org/10.3390/agriculture15242574 - 12 Dec 2025
Abstract
Fruit detection and counting is a key component of data-driven resource management and yield estimation in greenhouses. This work presents a novel infrared-based approach to capsicum counting in greenhouses that takes advantage of the light penetration of infrared (IR) imaging to enhance detection [...] Read more.
Fruit detection and counting is a key component of data-driven resource management and yield estimation in greenhouses. This work presents a novel infrared-based approach to capsicum counting in greenhouses that takes advantage of the light penetration of infrared (IR) imaging to enhance detection under challenging lighting conditions. The proposed capsicum counting pipeline integrates the YOLO11 detection model for capsicum identification and the BoT-SORT multi-object tracker to track detections across a video stream, enabling accurate fruit counting. The detector model is trained on a dataset of 1000 images, with 11,916 labeled capsicums, captured with an OAK-D pro camera mounted on a mobile robot inside a capsicum greenhouse. On the IR test set, the YOLO11m model achieved an F1-score of 0.82, while the tracker obtained a multiple object tracking accuracy (MOTA) of 0.85, correctly counting 67 of 70 capsicums in a representative greenhouse row. The results demonstrate the effectiveness of this IR-based approach in automating fruit counting in greenhouse environments, offering potential applications in yield estimation. Full article
(This article belongs to the Section Artificial Intelligence and Digital Agriculture)
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26 pages, 646 KB  
Article
Development and Consumer Acceptability of Functional Bread Formulations Enriched with Extruded Avocado Seed Flour: Nutritional and Technological Properties
by Jesús Salvador Jaramillo-De la Garza, Dariana Graciela Rodríguez-Sánchez, Carmen Hernández-Brenes and Erick Heredia-Olea
Foods 2025, 14(24), 4282; https://doi.org/10.3390/foods14244282 - 12 Dec 2025
Abstract
Avocado processing generates seed by-products rich in dietary fiber that can be upcycled into functional ingredients. This study modified and characterized avocado seed flour via extrusion and enzyme-assisted wet-milling, as well as evaluated its use in wheat bread. The flour was fractionated, and [...] Read more.
Avocado processing generates seed by-products rich in dietary fiber that can be upcycled into functional ingredients. This study modified and characterized avocado seed flour via extrusion and enzyme-assisted wet-milling, as well as evaluated its use in wheat bread. The flour was fractionated, and fraction 2 (F2) was selected based on techno-functional performance; it was tested in its non-extruded (NEF2) and extruded (EF2) forms. Breads were prepared by replacing 5% of wheat flour with NEF2 and EF2 (NEB and EB, respectively). Compared with NEF2, EF2 had an 81% higher water absorption index (WAI) and an 18% higher oil absorption index (OAI). Extrusion reduced antioxidant activity ~1.6-fold, consistent with an ~85% decrease in acetogenin content, indicating thermo-mechanical degradation of bioactives linked to bitterness. Analyses were conducted in triplicate (p < 0.05). By day 3, crumb hardness increased (EB: 9.65 N; NEB: 6.04 N; control: 5.49 N). In a test with 106 consumers, aroma scores improved for NEB (8.00, IQR 7.00–8.00) and EB (7.00, IQR 5.00–8.00) versus the control (6.00, IQR 4.00–7.00), while overall acceptability, texture, color, and appearance did not differ. These results support EF2 as a functional upcycled ingredient that enhances hydration and aroma, reduces bitterness, and maintains consumer acceptance, aligning with circular economy and clean-label goals. Full article
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14 pages, 1452 KB  
Article
Ensemble Method of Pre-Trained Models for Classification of Skin Lesion Images
by Umadevi V, Joshi Manisha Shivaram, Shankru Guggari and Kingsley Okoye
Appl. Sci. 2025, 15(24), 13083; https://doi.org/10.3390/app152413083 - 12 Dec 2025
Abstract
Human beings are affected by different types of skin diseases worldwide. Automatic identification of skin disease from Dermoscopy images has proved effective for diagnosis and treatment to reduce fatality rate. The objective of this work is to demonstrate efficiency of three deep learning [...] Read more.
Human beings are affected by different types of skin diseases worldwide. Automatic identification of skin disease from Dermoscopy images has proved effective for diagnosis and treatment to reduce fatality rate. The objective of this work is to demonstrate efficiency of three deep learning pre-trained models, namely MobileNet, EfficientNetB0, and DenseNet121 with ensembling techniques for classification of skin lesion images. This study considers HAM1000 dataset which consists of n = 10,015 images of seven different classes, with a huge class imbalance. The study has two-fold contributions for the classification methodology of skin lesions. First, modification of three pre-trained deep learning models for grouping of skin lesion into seven types. Second, Weighted Grid Search algorithm is proposed to address the class imbalance problem for improving the accuracy of the base classifiers. The results showed that the weighted ensembling method achieved a 3.67% average improvement in Accuracy, Precision, and Recall, 3.33% average improvement for F1-Score, and 7% average improvement for Matthews Correlation Coefficient (MCC) when compared to base classifiers. Evaluation of the model’s efficiency and performance shows that it obtained the highest ROC-AUC score of 92.5% for the modified MobileNet model for skin lesion categorization in comparison to EfficientNetB0 and DenseNet121, respectively. The implications of the results show that deep learning methods and classification techniques are effective for diagnosis and treatment of skin lesion diseases to reduce fatality rate or detect early warnings. Full article
(This article belongs to the Special Issue Process Mining: Theory and Applications)
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17 pages, 1564 KB  
Article
Micropropagation and Phytochemical Characterization of Artemisia ludoviciana Nutt.: Antioxidant Activity and Phenolic Profiles
by José Miguel Fernández-Cortés, Andrea Amy Balderas-Robles, Elisa Dufoo-Hurtado, Aurea K. Ramírez-Jiménez, Genaro Ruiz-Campos, Alfredo Madariaga-Navarrete, Ashutosh Sharma and Paola Isabel Angulo-Bejarano
Plants 2025, 14(24), 3781; https://doi.org/10.3390/plants14243781 - 11 Dec 2025
Abstract
Artemisia ludoviciana Nutt. is an important aromatic plant widely used in traditional Mexican medicine for its therapeutic potential. Its medicinal activity is attributed to a wide range of bioactive compounds, including flavonoids. However, overexploitation, habitat loss, climate change and plant diseases threaten its [...] Read more.
Artemisia ludoviciana Nutt. is an important aromatic plant widely used in traditional Mexican medicine for its therapeutic potential. Its medicinal activity is attributed to a wide range of bioactive compounds, including flavonoids. However, overexploitation, habitat loss, climate change and plant diseases threaten its natural populations and diversity. Although the species reproduces both sexually and asexually, conventional propagation methods are often slow, limited by environmental factors, and susceptible to pests and pathogens. Therefore, this research aimed to establish a micropropagation protocol for A. ludoviciana and to evaluate the changes in its phenolic composition and antioxidant activity while adapting to ex vitro conditions. Full-strength Murashige and Skoog (MS) media supplemented with 0.1 mg L−1 6-benzylaminopurine resulted in the highest number of shoots (3.30 ± 0.34) and shoot length (3.00 ± 0.12 cm). Moreover, 1/2 MS media supplemented with 0.5 mg L−1 indole-3-acetic acid improved the number (14.45 ± 0.56) and quality of roots. Hardening and acclimatization of plantlets showed 100% survival after 10 weeks. Also, the phenolic composition and antioxidant activity of A. ludoviciana changed in response to stress derived from growth conditions. The results support the sustainable use and rapid propagation of the species, as well as provide the basis for the study of secondary metabolism in the plant. Full article
(This article belongs to the Section Plant Cell Biology)
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21 pages, 5508 KB  
Article
Autophagy-Related Proteins Influence Mouse Epididymal Sperm Motility
by Lorena Rodríguez-Páez, Jonathan J. Magaña, Charmina Aguirre-Alvarado, Verónica Alcántara-Farfán, Germán Chamorro-Cevallos, José Melesio Cristóbal-Luna, Erika Rosales-Cruz, Elba Reyes-Maldonado, Guadalupe Elizabeth Jiménez-Gutiérrez and Joaquín Cordero-Martínez
Int. J. Mol. Sci. 2025, 26(24), 11895; https://doi.org/10.3390/ijms262411895 - 10 Dec 2025
Viewed by 13
Abstract
Autophagy is an intracellular process that recycles and degrades cytoplasmic components, including organelles and macromolecules, to provide energy and basic components for cell survival, maintain cellular homeostasis, and avoid self-damage. It is currently not fully known if mouse sperm undergoes the autophagy process, [...] Read more.
Autophagy is an intracellular process that recycles and degrades cytoplasmic components, including organelles and macromolecules, to provide energy and basic components for cell survival, maintain cellular homeostasis, and avoid self-damage. It is currently not fully known if mouse sperm undergoes the autophagy process, nor is the subcellular distribution, protein levels of autophagy-related proteins, and the biological role of autophagy in epididymal mouse sperm physiology fully understood. We aimed to investigate key autophagy markers, including LC3 (microtubule-associated protein 1A/1B-light chain 3), p62/SQSTM1 (Sequestosome 1), and mTOR (mechanistic Target of Rapamycin), in epididymal mouse sperm under capacitation (Cap) or non-capacitation (NC) conditions. Furthermore, we evaluated the possible role of these autophagy-related proteins on sperm viability, motility, intracellular pH (pHi), intracellular calcium concentrations [Ca2+]i, mitochondrial membrane potential, and acrosome reaction (AR) induction in the presence or absence of chloroquine (CQ), K67, and rapamycin. Our results suggest a dynamic re-localization of the autophagy-related proteins LC3, p62/SQSTM1, and mTOR under capacitation conditions. Moreover, treatment with specific autophagy inhibitors, such as CQ and K67, resulted in decreased LC3-II and p62/SQSTM1 protein levels. Additionally, rapamycin did not increase mTOR levels. Interestingly, treatment with these inhibitors also resulted in decreased motility, reduced mitochondrial membrane potential and hindered AR induction without affecting sperm viability. Overall, the presence and dynamic re-localization of LC3, p62/SQSTM1, and mTOR suggest that mouse epididymal sperm could perform initial steps of autophagy under capacitation conditions, and results of the pharmacological treatment could be associated with an important role of these autophagy-related proteins in sperm motility and AR induction. Full article
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24 pages, 16704 KB  
Article
TiO2, GO, and TiO2/GO Coatings by APPJ on Waste ABS/PMMA Composite Filaments Filled with Carbon Black, Graphene, and Graphene Foam: Morphology, Wettability, Thermal Stability, and 3D Printability
by Alejandra Xochitl Maldonado Pérez, Alma Delfina Arenas Flores, José de Jesús Pérez Bueno, Maria Luisa Mendoza López, Yolanda Casados Mexicano, José Luis Reyes Araiza, Alejandro Manzano-Ramírez, Salomón Ramiro Vásquez García, Nelly Flores-Ramírez, Carlos Montoya Suárez and Edain Belén Pérez Mendoza
Polymers 2025, 17(24), 3263; https://doi.org/10.3390/polym17243263 - 9 Dec 2025
Viewed by 135
Abstract
This work presents a multifactorial strategy for reusing waste thermoplastics and generating multifunctional filaments for additive manufacturing. Acrylonitrile–butadiene–styrene (ABS) waste and commercial poly(methyl methacrylate) (PMMA) were compounded with carbon black (CB), graphene (G), or graphene foam (GF) at different loadings and extruded into [...] Read more.
This work presents a multifactorial strategy for reusing waste thermoplastics and generating multifunctional filaments for additive manufacturing. Acrylonitrile–butadiene–styrene (ABS) waste and commercial poly(methyl methacrylate) (PMMA) were compounded with carbon black (CB), graphene (G), or graphene foam (GF) at different loadings and extruded into composite filaments. The aim is to couple filler-induced bulk modifications with atmospheric pressure plasma jet (APPJ) surface coatings of TiO2 and graphene oxide (GO) to obtain waste-derived filaments with tunable morphology, wettability, and thermal stability for advanced 3D-printed architectures. The filaments were subsequently coated with TiO2 and/or GO using an APPJ process, which tailored surface wettability and enabled the formation of photocatalytically relevant interfaces. Digital optical microscopy and SEM revealed that CB, G, and GF were reasonably well dispersed in both polymer matrices but induced distinct surface and cross-sectional morphologies, including a carbon-rich outer crust in ABS and filler-dependent porosity in PMMA. For ABS composites, static contact-angle measurements show that APPJ coatings broaden the apparent wettability window from ~60–80° for uncoated filaments to ~40–50° (TiO2/GO) up to >90° (GO), corresponding to a ≈150% increase in contact-angle span. For PMMA/CB composites, TiO2/GO coatings expand the accessible contact-angle range to ~15–125° while maintaining surface energies around 50 mN m−1. TGA/DSC analyses confirm that the composites and coatings remain thermally stable within typical extrusion and APPJ processing ranges, with graphene showing only ≈3% mass loss over the explored temperature range, compared with ≈65% for CB and ≈10% for GF. Fused deposition modeling trials verify the printability and dimensional fidelity of ABS-based composite filaments, whereas PMMA composites were too brittle for reliable FDM printing. Overall, combining waste polymer reuse, tailored carbonaceous fillers, and APPJ TiO2/GO coatings provides a versatile route to design surface-engineered filaments for applications such as photocatalysis, microfluidics, and soft robotics within a circular polymer manufacturing framework. Full article
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48 pages, 11913 KB  
Article
A Symbiotic Digital Environment Framework for Industry 4.0 and 5.0: Enhancing Lifecycle Circularity
by Pedro Ponce, Javier Maldonado-Romo, Brian W. Anthony, Russel Bradley and Luis Montesinos
Eng 2025, 6(12), 355; https://doi.org/10.3390/eng6120355 - 6 Dec 2025
Viewed by 249
Abstract
This paper introduces a Symbiotic Digital Environment Framework (SDEF) that integrates Human Digital Twins (HDTs) and Machine Digital Twins (MDTs) to advance lifecycle circularity across all stages of the CADMID model (i.e., Concept, Assessment, Design, Manufacture, In-Service, and Disposal). Unlike existing frameworks that [...] Read more.
This paper introduces a Symbiotic Digital Environment Framework (SDEF) that integrates Human Digital Twins (HDTs) and Machine Digital Twins (MDTs) to advance lifecycle circularity across all stages of the CADMID model (i.e., Concept, Assessment, Design, Manufacture, In-Service, and Disposal). Unlike existing frameworks that address either digital twins or sustainability in isolation, SDEF establishes a bidirectional adaptive system where human, machine, and environmental digital entities continuously interact to co-optimize performance, resource efficiency, and well-being. The framework’s novelty lies in unifying human-centric adaptability (via HDTs) with circular economy principles to enable real-time symbiosis between industrial processes and their operators. Predictive analytics, immersive simulation, and continuous feedback loops dynamically adjust production parameters based on operator states and environmental conditions, extending asset lifespan while minimizing waste. Two simulation-based scenarios in VR using synthetic data demonstrate the framework’s capacity to integrate circularity metrics (material throughput, energy efficiency, remanufacturability index) with human-machine interaction variables in virtual manufacturing environments. SDEF bridges Industry 4.0’s automation capabilities and Industry 5.0’s human-centric vision, offering a scalable pathway toward sustainable and resilient industrial ecosystems by closing the loop between physical and digital realms. Full article
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22 pages, 3715 KB  
Article
Integrating Statistical and Machine-Learning Approaches for Salmonella enterica Surveillance in Northwestern Italy: A One Health Data-Driven Framework
by Aitor Garcia-Vozmediano, Angelo Romano, Mattia Begovoeva, Monica Pitti, Elisabetta Crescio, Aldo Brenda, Michela Di Roberto, Anna Gioia, Adriana Giraldo, Eva Massone, Michela Nobile Lanzarini, Alessia Raggio, Erica De Vita, Giuseppe Ru and Cristiana Maurella
Microorganisms 2025, 13(12), 2773; https://doi.org/10.3390/microorganisms13122773 - 5 Dec 2025
Viewed by 345
Abstract
Salmonella enterica is a major cause of foodborne illness globally. We analysed 41,945 food samples collected under official surveillance in Piedmont (north-western Italy) between 2013 and 2023 to characterise contamination patterns and evaluate an integrated analytical framework combining classical statistical modelling with machine-learning [...] Read more.
Salmonella enterica is a major cause of foodborne illness globally. We analysed 41,945 food samples collected under official surveillance in Piedmont (north-western Italy) between 2013 and 2023 to characterise contamination patterns and evaluate an integrated analytical framework combining classical statistical modelling with machine-learning prediction. Overall prevalence was low (2.20%; 95% CI: 2.06–2.35) but heterogeneous across matrices, with poultry and pork displaying the highest contamination levels (11.8% and 7.14%). Risk increased at distribution/retail stages, and contamination declined markedly from 2013 to 2018, with lower levels in late autumn. Meteorological factors had minimal influence. Mixed-effects models identified food category and production stage as the main determinants of contamination, while the XGBoost algorithm showed stable predictive performance (median absolute error ≈ 0.02) and spatially coherent estimates. SHAP analyses confirmed food composition variables as the dominant predictors. These findings highlight persistent vulnerabilities within poultry and swine supply chains, particularly at post-production stages, and illustrate the complementary value of combining explanatory and predictive approaches to strengthen risk-based, One Health-aligned food-safety surveillance. Full article
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22 pages, 1067 KB  
Article
Incorporation of Cactus Berry (Myrtillocactus geometrizans) and Red Prickly Pear (Opuntia ficus-indica L. Mill.) Mixtures on Sausages Elaborated from White-Striped Broiler Breast as Possible Natural Antioxidants
by Luis Humberto López-Hernández, Ariadna Abigail Navarro-Olivera, Mariel Calderón-Oliver and Luz Hermila Villalobos-Delgado
Foods 2025, 14(24), 4179; https://doi.org/10.3390/foods14244179 - 5 Dec 2025
Viewed by 236
Abstract
This study evaluated the potential of cactus berry (C) (Myrtillocactus geometrizans) and red prickly pear (P) (Opuntia ficus-indica L. Mill.) powder mixtures as natural colourants and antioxidants in chicken batters and sausages made with White Striping (WS) breast meat. The [...] Read more.
This study evaluated the potential of cactus berry (C) (Myrtillocactus geometrizans) and red prickly pear (P) (Opuntia ficus-indica L. Mill.) powder mixtures as natural colourants and antioxidants in chicken batters and sausages made with White Striping (WS) breast meat. The colour and antioxidant activity (AA) of the individual powders and their mixtures–CP (75%C + 25%P), PC (75%P + 25%C), and MCP (50%C + 50%P) were characterised. The mixtures were then incorporated into batters and sausages and compared with controls with and without nitrites. Aqueous extracts of C and P showed the highest total polyphenol and flavonoid contents, showing 7- to 8.5-fold increases over ethanolic extracts. Among the mixtures, PC exhibited the greatest AA, approximately twice that of the others in DPPH, ABTS•+, and FRAP assays. In raw batters and cooked sausages, the mixtures enhanced AA and redness, with PC showing the strongest effects. Additionally, MCP maintained the most stable AA and colour for 28 days (1.5 °C). All mixtures also reduced lipid oxidation (TBARS < 1.75 mg MDA/kg) and prevented colour deterioration, achieving performance comparable to nitrites. Overall, C and P mixtures act as effective natural antioxidants and colour enhancers, offering an alternative to synthetic additives for improving the oxidative stability of WS-affected poultry sausages. Full article
(This article belongs to the Special Issue Meat and Meat Products: Quality, Safety, and Consumer Perception)
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19 pages, 1628 KB  
Article
Antioxidant, Photoprotective, and In Vitro Antiaging Assessment of Optimized Water/Oil Emulsions of Selenized Chickpea Glutelin with Rosehip Oil or Grapeseed Oil
by Ada Keila Milán-Noris, Ángel R. Rábago-Monzón, Maritza G. Castro-Quintero, Marilena Antunes-Ricardo, Álvaro Montoya-Rodríguez, Julio Montes-Ávila, Cuauhtémoc Reyes-Moreno and Daniela Guardado-Félix
Macromol 2025, 5(4), 59; https://doi.org/10.3390/macromol5040059 - 4 Dec 2025
Viewed by 129
Abstract
The selenized glutelin (Se-G) from Se-enriched chickpea sprouts has demonstrated high antioxidant potential. In this study, the response surface methodology was employed to optimize Se-G content (1–4%) and grape or rosehip oils (10–40%) for the preparation of W/O emulsions with strong antioxidant activity. [...] Read more.
The selenized glutelin (Se-G) from Se-enriched chickpea sprouts has demonstrated high antioxidant potential. In this study, the response surface methodology was employed to optimize Se-G content (1–4%) and grape or rosehip oils (10–40%) for the preparation of W/O emulsions with strong antioxidant activity. In the optimal emulsions (Se-GG with grape oil and Se-GR with rosehip oil), antioxidant, photoprotective, and antiaging properties were evaluated. Non-Se glutelin was used in the control emulsions. The optimal conditions determined (4.0% Se-G/10.0% rosehip oil and 3.39% Se-G/12.50% grape oil) allowed for the preparation of emulsions with higher antioxidant capacity. The Se-GR with rosehip oil had greater antioxidant capacity than the Se-GG with grape oil. The optimal emulsions with Se, compared to their Se-free controls, had significantly higher antioxidant activity. The zeta potential value increased with the presence of Se. A positive effect on the inhibition of ROS production and lipid peroxidation was observed, as well as the inhibition of collagenase, elastase, and hyaluronidase activity, mainly due to the presence of selenium. Se-G represents a powerful tool for preventing damage to the skin caused by UV exposure. Full article
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10 pages, 495 KB  
Review
Glucose/Potassium Ratio, a Novel Biomarker for the Prognosis of Patients with Subarachnoid Hemorrhage: A Review
by Luis E. Fernández-Garza, Valeria A. Fernández-Garza, Daniela Mares-Custodio, Victor Gutiérrez-Ruano, Alexandro Navarrete-Rodríguez and Juan J. Arias-Alzate
J. Vasc. Dis. 2025, 4(4), 48; https://doi.org/10.3390/jvd4040048 - 4 Dec 2025
Viewed by 136
Abstract
Subarachnoid hemorrhage (SAH) is a life-threatening cerebrovascular event with high mortality and long-term morbidity. While clinical grading scales such as Hunt and Hess or the World Federation of Neurological Surgeons (WFNS) score aid in prognosis, their accuracy implies a neurological assessment that can [...] Read more.
Subarachnoid hemorrhage (SAH) is a life-threatening cerebrovascular event with high mortality and long-term morbidity. While clinical grading scales such as Hunt and Hess or the World Federation of Neurological Surgeons (WFNS) score aid in prognosis, their accuracy implies a neurological assessment that can be confounded in sedated patients, highlighting the need for objective biomarkers. Biomarkers offer an alternative approach for risk stratification. This review examines the prognostic value of the glucose/potassium ratio (GPR) in patients with aneurysmal SAH and its potential integration into future predictive models. A literature review of retrospective studies assessing the association between GPR and clinical outcomes in SAH was conducted. Evidence on the pathophysiological basis of stress-induced hyperglycemia and hypokalemia in SAH is presented, along with findings from five key clinical studies evaluating GPR in relation to mortality, vasospasm, delayed cerebral ischemia, and functional outcomes. Elevated GPR levels were consistently associated with poor short- and long-term outcomes in SAH patients. Studies reported significant correlations between GPR and 30-day mortality, poor Glasgow Outcome Scale (GOS) scores, increased incidence of cerebral vasospasm, and higher rates of rebleeding. The optimal GPR cutoff for predicting adverse outcomes was greater than 37 mg/dL, with multivariate analyses confirming GPR as an independent prognostic factor. GPR is a promising, cost-effective biomarker that integrates two stress-response parameters (glucose and potassium), both of which are independently associated with SAH prognosis. Its incorporation into future predictive models may enhance early risk stratification and guide clinical decision-making. Further prospective studies are warranted to validate its utility and standardize its clinical application. Full article
(This article belongs to the Section Cardiovascular Diseases)
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30 pages, 5427 KB  
Article
Benchmarking Molecular Mutation Operators for Evolutionary Drug Design
by Raúl Acosta Murillo, Patricio Adrián Zapata-Morin and José Carlos Ortiz-Bayliss
Int. J. Mol. Sci. 2025, 26(23), 11685; https://doi.org/10.3390/ijms262311685 - 2 Dec 2025
Viewed by 238
Abstract
This study investigates and compares different molecular mutation strategies to optimize their application as genetic algorithm operators in drug design. We evaluated five distinct mutation methods—Graph-Based Genetic Algorithm, Graph-Based Generative Model, SmilesClickChem, SELFIES Token, and SMILES Token Mutation—by assessing their computational efficiency, validity, [...] Read more.
This study investigates and compares different molecular mutation strategies to optimize their application as genetic algorithm operators in drug design. We evaluated five distinct mutation methods—Graph-Based Genetic Algorithm, Graph-Based Generative Model, SmilesClickChem, SELFIES Token, and SMILES Token Mutation—by assessing their computational efficiency, validity, and impact on molecular complexity and structural conservation. Our results reveal that the Graph-Based Genetic Algorithm achieves the highest molecular validity (96.5%) while maintaining computational efficiency, making it ideal for rapid iterative drug discovery. SmilesClickChem and Graph-Based Generative Model tend to increase molecular complexity, whereas SF-T simplifies molecular structures, suggesting different applications in lead optimization. Additionally, we analyzed mutation-induced changes in pIC50 potency and found that SELFIES Token caused the most substantial shifts in bioactivity, particularly in SRC-targeted molecules. These findings underscore the importance of selecting the appropriate mutation strategy to balance validity, structural diversity, and computational cost in AI-driven drug design. Our insights help refine evolutionary algorithms for molecular generation and optimize candidate selection in early-stage drug discovery. Full article
(This article belongs to the Special Issue Advances in Computer-Aided Drug Design Strategies)
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23 pages, 6054 KB  
Article
From Bench to Greenhouse: The Comparative Nano-Bio System Effects of Green-Synthesized TiO2-NPs and Plant-Growth-Promoting Microorganisms in Capsicum annuum
by Atiya Bhatti, Jorge L. Mejía-Méndez, Soheil S. Mamhoud, Araceli Sanchez-Martinez, Gildardo Sánchez-Ante, Jorge Manuel Silva-Jara, Eugenio Sánchez-Arreola, Luis Marcelo Lozano, Gonzalo Tortella, Edgar R. López-Mena and Diego E. Navarro-López
Plants 2025, 14(23), 3672; https://doi.org/10.3390/plants14233672 - 2 Dec 2025
Viewed by 269
Abstract
In this study, titanium dioxide nanoparticles (TiO2-NPs) were produced via green routes using blueberry extracts obtained with isopropanol (I-TiO2-NPs) and methanol (M-TiO2 NPs). HPLC-DAD confirmed phenolic/flavonoid profiles in the extracts, and spectroscopy/microscopy established anatase, polyhedral, mesoporous TiO2 [...] Read more.
In this study, titanium dioxide nanoparticles (TiO2-NPs) were produced via green routes using blueberry extracts obtained with isopropanol (I-TiO2-NPs) and methanol (M-TiO2 NPs). HPLC-DAD confirmed phenolic/flavonoid profiles in the extracts, and spectroscopy/microscopy established anatase, polyhedral, mesoporous TiO2-NPs with Eg ≈ 3.0 eV, hydrodynamic sizes ≈ 130–150 nm and negative ζ-potentials (−33 to −50 mV). The in vitro compatibility between TiO2-NPs and the plant-growth-promoting microorganisms (PGPMs) Bacillus subtilis (Bs), Bacillus thuringiensis (B), and Trichoderma harzianum (T) sustained increased growth up to 150 µg/mL without visible negative effects. In greenhouse experimentation of Capsicum annuum exposed to low-moderate TiO2-NPs, an increased leaf number and plant height were observed, while root length did not exceed the controls. I-TiO2 at moderate concentrations, particularly with a single PGPM (B or T), promoted fresh and dry biomass accumulation. Biochemically, peroxidase rose sharply for M-TiO2 at a low dose with consortium, whereas I-TiO2 elicited broader antioxidant responses; total protein increased at higher doses for both formulations, and total chlorophyll was highest with I-TiO2 (high dose with or without PGPMS). Collectively, the nano-bio system shows a formulation- and dose-dependent biphasic behavior: (I) I-TiO2 enhances biomass and photosynthetic pigments; (II) M-TiO2 favors strong POX induction under specific microorganism-dose combinations; and (III) single PGPM co-application with I-TiO2-NPs or M-TiO2 NPs outperforms consortia under our experimental conditions. Green synthesis thus provides surface functionalities that improve dispersion, microbial compatibility, and predictable physiological/biochemical outcomes for precision agriculture. Full article
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Article
Impact of Mango Bagasse and Peel Confectionery Rich in Dietary Fiber on Gut Microbiota, Metabolite Profiles, and Genetic Regulation in High-Fat-Diet-Fed Wistar Rats
by Yuritzi Barbosa, Marcela Gaytán-Martínez, Rocio Alejandra Chavez-Santoscoy, Erika Magallón-Gayón, Silvia Hinojosa-Alvarez, Adriana Chico-Peralta, Marcos de Donato and Aurea K. Ramírez-Jiménez
Nutrients 2025, 17(23), 3780; https://doi.org/10.3390/nu17233780 - 2 Dec 2025
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Abstract
Background/Objectives: Insufficient dietary fiber intake contributes to gut microbiota dysbiosis, systemic inflammation, and the onset of obesity-related metabolic disorders. Agro-industrial by-products have emerged as sustainable sources to restore microbial and metabolic balance. This study aimed to evaluate the effects of a mango bagasse- [...] Read more.
Background/Objectives: Insufficient dietary fiber intake contributes to gut microbiota dysbiosis, systemic inflammation, and the onset of obesity-related metabolic disorders. Agro-industrial by-products have emerged as sustainable sources to restore microbial and metabolic balance. This study aimed to evaluate the effects of a mango bagasse- and peel-based confectionery (MC) on gut microbiota composition, short-chain fatty acids (SCFAs), and hepatic gene expression in Wistar rats fed either a standard diet (STD) or a high-fat diet (HFD). Methods: Twenty-four rats were randomly assigned to four groups (STD, MC-STD, HFD, MC-HFD) and treated for 11 weeks. Eating behavior, body composition, microbiota composition, SCFAs, and hepatic transcriptomics were evaluated. Results: MC supplementation did not significantly alter weight gain or SCFA levels but shifted clustering patterns in principal component analysis, indicating a distinct dietary response. Microbiota analysis revealed a trend toward lower relative abundances of obesogenic species such as Phascolarctobacterium faecium and Ruminococcus torques, while Intestimonas butyriciproducens and Anaerostipes hadrus were modulated according to diet type. Transcriptomic profiling demonstrated consistent downregulation of lipid metabolism–related genes (Cyp4a14, Hmgcs1, Cyp51, Fads1), linked to PPAR signaling pathways. Conclusions: MC supplementation may beneficially modulate the gut–liver axis and highlights the nutritional potential of fruit by-products as functional ingredients to promote metabolic health under high-fat dietary conditions. Full article
(This article belongs to the Special Issue Advances in Gene–Diet Interactions and Human Health)
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