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Keywords = reaction pathways

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13 pages, 1417 KiB  
Review
A Comprehensive Evaluation of Microbial Synergistic Metabolic Mechanisms and Health Benefits in Kombucha Fermentation: A Review
by Xinyao Li, Norzin Tso, Shuaishuai Huang, Junwei Wang, Yonghong Zhou and Ruojin Liu
Biology 2025, 14(8), 952; https://doi.org/10.3390/biology14080952 - 28 Jul 2025
Abstract
Kombucha, a traditional fermented beverage, has become an important topic in global health beverage research due to its potential health benefits. The aim of this review is to integrate the existing literature and analyze the interactions among microbial communities during the fermentation process [...] Read more.
Kombucha, a traditional fermented beverage, has become an important topic in global health beverage research due to its potential health benefits. The aim of this review is to integrate the existing literature and analyze the interactions among microbial communities during the fermentation process of kombucha, especially how Saccharomyces, Acetobacter, and Lactobacillus generate bioactive components with health benefits through the cascade reaction in sugar metabolism–ethanol oxidation–organic acid accumulation. We also focus on the effects of fermentation conditions (e.g., time, temperature, and strain) on the microbial community structure and metabolic pathways, as well as their effects on the bioactive components and quality of kombucha microbiota (the microbial community in kombucha). By combing and analyzing the existing studies, this review provides an important theoretical basis for the optimization of the fermentation process, enhancement of health benefits, and development of functional beverages of kombucha microbiota, as well as new ideas for future research directions. Full article
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22 pages, 3300 KiB  
Article
Catalytic Ozonation of Nitrite in Denitrification Wastewater Based on Mn/ZSM-5 Zeolites: Catalytic Performance and Mechanism
by Yiwei Zhang, Yulin Sun, Yanqun Zhu, Wubin Weng, Yong He and Zhihua Wang
Processes 2025, 13(8), 2387; https://doi.org/10.3390/pr13082387 - 27 Jul 2025
Abstract
In wet flue gas desulfurization and denitrification processes, nitrite accumulation inhibits denitrification efficiency and induces secondary pollution due to its acidic disproportionation. This study developed a Mn-modified ZSM-5 zeolite catalyst, achieving efficient resource conversion of nitrite in nitrogen-containing wastewater through an O3 [...] Read more.
In wet flue gas desulfurization and denitrification processes, nitrite accumulation inhibits denitrification efficiency and induces secondary pollution due to its acidic disproportionation. This study developed a Mn-modified ZSM-5 zeolite catalyst, achieving efficient resource conversion of nitrite in nitrogen-containing wastewater through an O3 + Mn/ZSM-5 catalytic system. Mn/ZSM-5 catalysts with varying SiO2/Al2O3 ratios (prepared by wet impregnation) were characterized by BET, XRD, and XPS. Experimental results demonstrated that Mn/ZSM-5 (SiO2/Al2O3 = 400) exhibited a larger specific surface area, enhanced adsorption capacity, abundant surface Mn3+/Mn4+ species, hydroxyl oxygen species, and chemisorbed oxygen, leading to superior oxidation capability and catalytic activity. Under the optimized conditions of reaction temperature = 40 °C, initial pH = 4, Mn/ZSM-5 dosage = 1 g/L, and O3 concentration = 100 ppm, the NO2 oxidation efficiency reached 94.33%. Repeated tests confirmed that the Mn/ZSM-5 catalyst exhibited excellent stability and wide operational adaptability. The synergistic effect between Mn species and the zeolite support significantly improved ozone utilization efficiency. The O3 + Mn/ZSM-5 system required less ozone while maintaining high oxidation efficiency, demonstrating better cost-effectiveness. Mechanism studies revealed that the conversion pathway of NO2 followed a dual-path catalytic mechanism combining direct ozonation and free radical chain reactions. Practical spray tests confirmed that coupling the Mn/ZSM-5 system with ozone oxidation flue gas denitrification achieved over 95% removal of liquid-phase NO2 byproducts without compromising the synergistic removal efficiency of NOx/SO2. This study provided an efficient catalytic solution for industrial wastewater treatment and the resource utilization of flue gas denitrification byproducts. Full article
(This article belongs to the Special Issue Processes in 2025)
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19 pages, 2791 KiB  
Article
Energetic Variational Modeling of Active Nematics: Coupling the Toner–Tu Model with ATP Hydrolysis
by Yiwei Wang
Entropy 2025, 27(8), 801; https://doi.org/10.3390/e27080801 - 27 Jul 2025
Abstract
We present a thermodynamically consistent energetic variational model for active nematics driven by ATP hydrolysis. Extending the classical Toner–Tu framework, we introduce a chemo-mechanical coupling mechanism in which the self-advection and polarization dynamics are modulated by the ATP hydrolysis rate. The model is [...] Read more.
We present a thermodynamically consistent energetic variational model for active nematics driven by ATP hydrolysis. Extending the classical Toner–Tu framework, we introduce a chemo-mechanical coupling mechanism in which the self-advection and polarization dynamics are modulated by the ATP hydrolysis rate. The model is derived using an energetic variational approach that integrates both chemical free energy and mechanical energy into a unified energy dissipation law. The reaction rate equation explicitly incorporates mechanical feedback, revealing how active transport and alignment interactions influence chemical fluxes and vice versa. This formulation not only preserves consistency with non-equilibrium thermodynamics but also provides a transparent pathway for modeling energy transduction in active systems. We also present numerical simulations demonstrating the positive energy transduction under a specific choice of model parameters. The new modeling framework offers new insights into energy transduction and regulation mechanisms in biologically related active systems. Full article
15 pages, 2921 KiB  
Article
Enhanced Photoelectrochemical Performance of BiVO4 Photoanodes Co-Modified with Borate and NiFeOx
by Siqiang Cheng, Yun Cheng, Taoyun Zhou, Shilin Li, Dong Xie and Xinyu Li
Micromachines 2025, 16(8), 866; https://doi.org/10.3390/mi16080866 - 27 Jul 2025
Abstract
Despite significant progress in photoelectrochemical (PEC) water splitting, high fabrication costs and limited efficiency of photoanodes hinder practical applications. Bismuth vanadate (BiVO4), with its low cost, non-toxicity, and suitable band structure, is a promising photoanode material but suffers from poor charge [...] Read more.
Despite significant progress in photoelectrochemical (PEC) water splitting, high fabrication costs and limited efficiency of photoanodes hinder practical applications. Bismuth vanadate (BiVO4), with its low cost, non-toxicity, and suitable band structure, is a promising photoanode material but suffers from poor charge transport, sluggish surface kinetics, and photocorrosion. In this study, porous monoclinic BiVO4 films are fabricated via a simplified successive ionic layer adsorption and reaction (SILAR) method, followed by borate treatment and PEC deposition of NiFeOx. The resulting B/BiVO4/NiFeOx photoanode exhibits a significantly enhanced photocurrent density of 2.45 mA cm−2 at 1.23 V vs. RHE—5.3 times higher than pristine BiVO4. It also achieves an ABPE of 0.77% and a charge transfer efficiency of 79.5%. These results demonstrate that dual surface modification via borate and NiFeOx is a cost-effective strategy to improve BiVO4-based PEC water splitting performance. This work provides a promising pathway for the scalable development of efficient and economically viable photoanodes for solar hydrogen production. Full article
(This article belongs to the Special Issue Advancing Energy Storage Techniques: Chemistry, Materials and Devices)
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35 pages, 1027 KiB  
Review
Postbiotics: A Promising Approach to Combat Age-Related Diseases
by Adel Hamdi, Charmaine Lloyd, Rajaraman Eri and Thi Thu Hao Van
Life 2025, 15(8), 1190; https://doi.org/10.3390/life15081190 - 26 Jul 2025
Abstract
Dietary patterns have been identified as one of the most important modifiable risk factors for several non-communicable diseases, inextricably linked to the health span of older people. Poor dietary choices may act as triggers for immune responses such as aggravated inflammatory reactions and [...] Read more.
Dietary patterns have been identified as one of the most important modifiable risk factors for several non-communicable diseases, inextricably linked to the health span of older people. Poor dietary choices may act as triggers for immune responses such as aggravated inflammatory reactions and oxidative stress contributing to the pathophysiology of several ageing hallmarks. Novel dietary interventions are being explored to restore gut microbiota balance and promote overall health in ageing populations. Probiotics and, most recently, postbiotics, which are products of probiotic fermentation, have been reported to modulate different signalling biomolecules involved in immunity, metabolism, inflammation, and oxidation pathways. This review presents evidence-based literature on the effects of postbiotics in promoting healthy ageing and mitigating various age-related diseases. The development of postbiotic-based therapeutics and diet-based interventions within a personalised microbiota-targeted approach is proposed as a possible direction for improving health in the elderly population. Despite growing evidence, the data regarding their exact mechanistic pathways for antioxidant and immunomodulating activities remain largely unexplored. Expanding our understanding of the mechanistic and chemical determinants of postbiotics could contribute to disease management approaches, as well as the development of and optimisation of biotherapeutics. Full article
15 pages, 2049 KiB  
Article
Sugars to Acids via Thioesters: A Computational Study
by Jeremy Kua and Jonathan D. Karin
Life 2025, 15(8), 1189; https://doi.org/10.3390/life15081189 - 26 Jul 2025
Viewed by 46
Abstract
Extant core metabolic cycles such as the TCA cycle and its related analog pathways utilize carboxylic acids as metabolites, with thioesters playing a key role. We examine if sugars from the potentially autocatalytic formose reaction can be converted to carboxylic acids in the [...] Read more.
Extant core metabolic cycles such as the TCA cycle and its related analog pathways utilize carboxylic acids as metabolites, with thioesters playing a key role. We examine if sugars from the potentially autocatalytic formose reaction can be converted to carboxylic acids in the absence of enzymes by calculating the thermodynamics and kinetics of such pathways. We zero in on a mechanism involving the addition of a thiol to an aldehyde, followed by intramolecular disproportionation to form a thioester that can be hydrolyzed into its carboxylic acid. This route is thermodynamically favorable but can have kinetic bottlenecks. We find that elimination of H2O or H2S is often the rate-determining step, and that alpha di-carbonyl reactants that do not require such a step are more feasible in the absence of catalysts. Full article
(This article belongs to the Special Issue 2nd Edition—Featured Papers on the Origins of Life)
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22 pages, 1009 KiB  
Review
Mycotoxin-Caused Intestinal Toxicity: Underlying Molecular Mechanisms and Further Directions
by Tian Li, Weidong Qiao, Jiehong Zhou, Zhihui Hao, Gea Oliveri Conti, Tony Velkov, Shusheng Tang, Jianzhong Shen and Chongshan Dai
Toxics 2025, 13(8), 625; https://doi.org/10.3390/toxics13080625 - 26 Jul 2025
Viewed by 159
Abstract
Mycotoxins represent a group of highly toxic secondary metabolites produced by diverse fungal pathogens. Mycotoxin contaminations frequently occur in foods and feed and pose significant risks to human and animal health due to their carcinogenic, mutagenic, and immunosuppressive properties. Notably, deoxynivalenol, zearalenone, fumonisins [...] Read more.
Mycotoxins represent a group of highly toxic secondary metabolites produced by diverse fungal pathogens. Mycotoxin contaminations frequently occur in foods and feed and pose significant risks to human and animal health due to their carcinogenic, mutagenic, and immunosuppressive properties. Notably, deoxynivalenol, zearalenone, fumonisins (mainly including fumonisins B1, B2, and FB3), aflatoxin B1 (AFB1), and T-2/HT-2 toxins are the major mycotoxin contaminants in foods and feed. Undoubtedly, exposure to these mycotoxins can disrupt gut health, particularly damaging the intestinal epithelium in humans and animals. In this review, we summarized the detrimental effects caused by these mycotoxins on the intestinal health of humans and animals. The fundamental molecular mechanisms, which cover the induction of inflammatory reaction and immune dysfunction, the breakdown of the intestinal barrier, the triggering of oxidative stress, and the intestinal microbiota imbalance, were explored. These signaling pathways, such as MAPK, Akt/mTOR, TNF, TGF-β, Wnt/β-catenin, PKA, NF-kB, NLRP3, AHR, TLR2, TLR4, IRE1/XBP1, Nrf2, and MLCK pathways, are implicated. The abnormal expression of micro-RNA also plays a critical role. Finally, we anticipate that this review can offer new perspectives and theoretical foundations for controlling intestinal health issues caused by mycotoxin contamination and promote the development of prevention and control products. Full article
(This article belongs to the Topic Recent Advances in Veterinary Pharmacology and Toxicology)
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20 pages, 1716 KiB  
Article
Enhancing Antioxidants Performance of Ceria Nanoparticles in Biological Environment via Surface Engineering with o-Quinone Functionalities
by Pierluigi Lasala, Tiziana Latronico, Umberto Mattia, Rosa Maria Matteucci, Antonella Milella, Matteo Grattieri, Grazia Maria Liuzzi, Giuseppe Petrosillo, Annamaria Panniello, Nicoletta Depalo, Maria Lucia Curri and Elisabetta Fanizza
Antioxidants 2025, 14(8), 916; https://doi.org/10.3390/antiox14080916 - 25 Jul 2025
Viewed by 167
Abstract
The development of ceria (CeO2−x)-based nanoantioxidants requires fine-tuning of structural and surface properties for enhancing antioxidant behavior in biological environments. In this contest, here ultrasmall water-dispersible CeO2−x nanoparticles (NPs), characterized by a high Ce3+/Ce4+ ratio, were synthesized [...] Read more.
The development of ceria (CeO2−x)-based nanoantioxidants requires fine-tuning of structural and surface properties for enhancing antioxidant behavior in biological environments. In this contest, here ultrasmall water-dispersible CeO2−x nanoparticles (NPs), characterized by a high Ce3+/Ce4+ ratio, were synthesized in a non-polar solvent and phase-transfer to an aqueous environment through ligand-exchange reactions using citric acid (CeO2−x@Cit) and post-treatment with dopamine hydrochloride (CeO2−x@Dopa). The concept behind this work is to enhance via surface engineering the intrinsic antioxidant properties of CeO2−x NPs. For this purpose, thanks to electron transfer reactions between dopamine and CeO2−x, the CeO2−x@Dopa was obtained, characterized by increased surface Ce3+ sites and surface functionalized with polydopamine bearing o-quinone structures as demonstrated by complementary spectroscopic (UV–vis, FT-IR, and XPS) characterizations. To test the antioxidant properties of CeO2−x NPs, the scavenging activity before and after dopamine treatment against artificial radical 1,1-diphenyl-2-picrylhydrazyl (DPPH·) and the ability to reduce the reactive oxygen species in Diencephalic Immortalized Type Neural Cell line 1 were evaluated. CeO2−x@Dopa demonstrated less efficiency in DPPH· scavenging (%radical scavenging activity 13% versus 42% for CeO2−x@Cit before dopamine treatment at 33 μM DPPH· and 0.13 mg/mL loading of NPs), while it markedly reduced intracellular ROS levels (ROS production 35% compared to 66% of CeO2−x@Cit before dopamine treatment with respect to control—p < 0.001 and p < 0.01, respectively). While steric hindrance from the dopamine-derived polymer layer limited direct electron transfer from CeO2−x NP surface to DPPH·, within cells the presence of o-quinone groups contributed with CeO2−x NPs to break the autoxidation chain of organic substrates, enhancing the antioxidant activity. The functionalization of NPs with o-quinone structures represents a valuable approach to increase the inherent antioxidant properties of CeO2−x NPs, enhancing their effectiveness in biological systems by promoting additional redox pathways. Full article
(This article belongs to the Section Natural and Synthetic Antioxidants)
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24 pages, 528 KiB  
Review
Therapeutic and Prognostic Relevance of Cancer Stem Cell Populations in Endometrial Cancer: A Narrative Review
by Ioana Cristina Rotar, Elena Bernad, Liviu Moraru, Viviana Ivan, Adrian Apostol, Sandor Ianos Bernad, Daniel Muresan and Melinda-Ildiko Mitranovici
Diagnostics 2025, 15(15), 1872; https://doi.org/10.3390/diagnostics15151872 - 25 Jul 2025
Viewed by 106
Abstract
The biggest challenge in cancer therapy is tumor resistance to the classical approach. Thus, research interest has shifted toward the cancer stem cell population (CSC). CSCs are a small subpopulation of cancer cells within tumors with self-renewal, differentiation, and metastasis/malignant potential. They are [...] Read more.
The biggest challenge in cancer therapy is tumor resistance to the classical approach. Thus, research interest has shifted toward the cancer stem cell population (CSC). CSCs are a small subpopulation of cancer cells within tumors with self-renewal, differentiation, and metastasis/malignant potential. They are involved in tumor initiation and development, metastasis, and recurrence. Method. A narrative review of significant scientific publications related to the topic and its applicability in endometrial cancer (EC) was performed with the aim of identifying current knowledge about the identification of CSC populations in endometrial cancer, their biological significance, prognostic impact, and therapeutic targeting. Results: Therapy against the tumor population alone has no or negligible effect on CSCs. CSCs, due to their stemness and therapeutic resistance, cause tumor relapse. They target CSCs that may lead to noticeable persistent tumoral regression. Also, they can be used as a predictive marker for poor prognosis. Reverse transcription–polymerase chain reaction (RT-PCR) demonstrated that the cultured cells strongly expressed stemness-related genes, such as SOX-2 (sex-determining region Y-box 2), NANOG (Nanog homeobox), and Oct 4 (octamer-binding protein 4). The expression of surface markers CD133+ and CD44+ was found on CSC as stemness markers. Along with surface markers, transcription factors such as NF-kB, HIF-1a, and b-catenin were also considered therapeutic targets. Hypoxia is another vital feature of the tumor environment and aids in the maintenance of the stemness of CSCs. This involves the hypoxic activation of the WNT/b-catenin pathway, which promotes tumor survival and metastasis. Specific antibodies have been investigated against CSC markers; for example, anti-CD44 antibodies have been demonstrated to have potential against different CSCs in preclinical investigations. Anti-CD-133 antibodies have also been developed. Targeting the CSC microenvironment is a possible drug target for CSCs. Focusing on stemness-related genes, such as the transcription pluripotency factors SOX2, NANOG, and OCT4, is another therapeutic option. Conclusions: Stemness surface and gene markers can be potential prognostic biomarkers and management approaches for cases with drug-resistant endometrial cancers. Full article
(This article belongs to the Section Pathology and Molecular Diagnostics)
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12 pages, 1739 KiB  
Article
Metabolic and Behavioral Impacts of Gustatory Receptor NlGr23 Silencing in the Brown Planthopper
by Kui Kang, Jie Zhang, Renhan Fang and Jun Lü
Agronomy 2025, 15(8), 1797; https://doi.org/10.3390/agronomy15081797 - 25 Jul 2025
Viewed by 64
Abstract
The brown planthopper (BPH), Nilaparvata lugens, is the most destructive insect pest of rice. BPH infestations severely threaten rice yield worldwide. The gustatory receptor NlGr23 plays a critical role in mediating the repulsive reaction to oxalic acid of the BPH. We integrated [...] Read more.
The brown planthopper (BPH), Nilaparvata lugens, is the most destructive insect pest of rice. BPH infestations severely threaten rice yield worldwide. The gustatory receptor NlGr23 plays a critical role in mediating the repulsive reaction to oxalic acid of the BPH. We integrated transcriptomic and proteomic analyses to determine the metabolic and behavioral consequences of NlGr23 silencing. The RNAi-mediated knockdown of NlGr23 increased body weight and honeydew production, indicating enhanced feeding activity. The results of multiomics profiling revealed disrupted lipid homeostasis, identifying 187 differentially expressed genes and 150 differentially expressed proteins. These genes were enriched in pathways including glycerophospholipid metabolism, fatty acid biosynthesis, and AMPK signaling. The results of biochemical assays showed that NlGr23 silencing elevated triacylglycerol levels by 68.83%, and reduced glycerol and free fatty acid levels, suggesting impaired lipolysis. The NlGr23 loss-of-function mutation mechanistically activates the AMPK pathway, suppresses lipid breakdown, and promotes energy storage. This study established NlGr23 as a key regulator linking chemosensation to metabolic reprogramming, providing new insights into gustatory receptor-mediated energy homeostasis in the BPH. Full article
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20 pages, 1481 KiB  
Article
Experimental and Kinetic Modelling Study of the Heterogeneous Catalytic Conversion of Bioethanol into n-Butanol Using MgO–Al2O3 Mixed Oxide Catalyst
by Amosi Makoye, Anna Vikár, András Bence Nacsa, Róbert Barthos, József Valyon, Ferenc Lónyi and Tibor Nagy
Catalysts 2025, 15(8), 709; https://doi.org/10.3390/catal15080709 - 25 Jul 2025
Viewed by 90
Abstract
Ethanol upgrading via catalytic C–C coupling, commonly known as the Guerbet reaction, offers a sustainable route to produce 1-butanol, a high-performance biofuel. To address gaps in the mechanistic understanding of the catalytic reaction, we investigated the process involving a fixed-bed reactor, operated at [...] Read more.
Ethanol upgrading via catalytic C–C coupling, commonly known as the Guerbet reaction, offers a sustainable route to produce 1-butanol, a high-performance biofuel. To address gaps in the mechanistic understanding of the catalytic reaction, we investigated the process involving a fixed-bed reactor, operated at 275–325 °C, 21 bar, and weight hourly space velocities of 0.25–2.5 gEtOH/(gcat·h), using helium as a carrier gas, with a 5:1 He/EtOH molar ratio. The catalyst was a MgO–Al2O3 mixed oxide (Mg/Al = 2:1), derived from a hydrotalcite precursor. A detailed kinetic model was developed, encompassing 15 species and 27 reversible steps (10 sorption and 17 reaction steps), within a 1+1D sorption–reaction–transport framework. Four C4-forming pathways were included: aldol condensation to form crotonaldehyde, semi-direct coupling to form butyraldehyde and crotyl alcohol, and direct coupling to form 1-butanol. To avoid overfitting, Arrhenius parameters were grouped by reaction type, resulting in sixty rate parameters and one active site-specific density parameter. The optimized model achieved high accuracy, with an average prediction error of 1.44 times the experimental standard deviation. The mechanistic analysis revealed aldol condensation as the dominant pathway below 335 °C, with semi-direct coupling to crotyl alcohol prevailing above 340 °C. The resulting model provides a robust framework for understanding and predicting complex reaction networks in ethanol upgrading systems. Full article
(This article belongs to the Special Issue Biomass Catalytic Conversion to Value-Added Chemicals)
19 pages, 2974 KiB  
Article
PI3K/Akt1 Pathway Suppression by Quercetin–Doxorubicin Combination in Osteosarcoma Cell Line (MG-63 Cells)
by Mehmet Uğur Karabat and Mehmet Cudi Tuncer
Medicina 2025, 61(8), 1347; https://doi.org/10.3390/medicina61081347 - 25 Jul 2025
Viewed by 119
Abstract
Background and Objectives: This study aimed to investigate the anticancer effects and potential synergistic interactions of quercetin (Q) and doxorubicin (Dox) on the MG-63 osteosarcoma (OS) cell line. Specifically, the effects of these agents on cell viability, apoptosis, reactive oxygen species (ROS) [...] Read more.
Background and Objectives: This study aimed to investigate the anticancer effects and potential synergistic interactions of quercetin (Q) and doxorubicin (Dox) on the MG-63 osteosarcoma (OS) cell line. Specifically, the effects of these agents on cell viability, apoptosis, reactive oxygen species (ROS) generation, antioxidant defense, and the phosphoinositide 3-kinase/protein kinase B (PI3K/Akt1) signaling pathway were evaluated. Material and Methods: MG-63 cells were cultured and treated with varying concentrations of Q and Dox, both individually and in combination (fixed 5:1 molar ratio), for 48 h. Cell viability was assessed using an MTT assay, and IC50 values were calculated. Synergistic effects were analyzed using the Chou–Talalay combination index (CI). Apoptosis was evaluated via Annexin V-FITC/PI staining and caspase-3/7 activity. ROS levels were quantified using DCFH-DA probe, and antioxidant enzymes (SOD, GPx) were measured spectrophotometrically. Gene expression (Runx2, PI3K, Akt1, caspase-3) was analyzed by reverse transcription quantitative polymerase chain reaction (RT-qPCR). Results: Q and Dox reduced cell viability in a dose-dependent manner, with IC50 values of 70.3 µM and 1.14 µM, respectively. The combination treatment exhibited synergistic cytotoxicity (CI < 1), especially in the Q50 + Dox5 group (CI = 0.23). Apoptosis was significantly enhanced in the combination group, evidenced by increased Annexin V positivity and caspase-3 activation. ROS levels were markedly elevated, while antioxidant enzyme activities declined. RT-qPCR revealed upregulation of caspase-3 and downregulation of Runx2, PI3K, and Akt1 mRNA levels. Conclusions: The combination of Q and Dox exerts synergistic anticancer effects in MG-63 OS cells by inducing apoptosis, elevating oxidative stress, suppressing antioxidant defense, and inhibiting the PI3K/Akt1 signaling pathway and Runx2 expression. These findings support the potential utility of Q as an adjuvant to enhance Dox efficacy in OS treatment. Full article
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5 pages, 569 KiB  
Proceeding Paper
Hybrid Modelling Framework for Reactor Model Discovery Using Artificial Neural Networks Classifiers
by Emmanuel Agunloye, Asterios Gavriilidis and Federico Galvanin
Proceedings 2025, 121(1), 11; https://doi.org/10.3390/proceedings2025121011 - 25 Jul 2025
Viewed by 128
Abstract
Developing and identifying the correct reactor model for a reaction system characterized by a high number of reaction pathways and flow regimes can be challenging. In this work, artificial neural networks (ANNs), used in deep learning, are used to develop a hybrid modelling [...] Read more.
Developing and identifying the correct reactor model for a reaction system characterized by a high number of reaction pathways and flow regimes can be challenging. In this work, artificial neural networks (ANNs), used in deep learning, are used to develop a hybrid modelling framework for physics-based model discovery in reactions systems. The model discovery accuracy of the framework is investigated considering kinetic model parametric uncertainty, noise level, features in the data structure and experimental design optimization via a differential evolution algorithm (DEA). The hydrodynamic behaviours of both a continuously stirred tank reactor and a plug flow reactor and rival chemical kinetics models are combined to generate candidate physics-based models to describe a benzoic acid esterification synthesis in a rotating cylindrical reactor. ANNs are trained and validated from in silico data simulated by sampling the parameter space of the physics-based models. Results show that, when monitored using test data classification accuracy, ANN performance improved when the kinetic parameters uncertainty decreased. The performance improved further by increasing the number of features in the data set, optimizing the experimental design and decreasing the measurements error (low noise level). Full article
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16 pages, 764 KiB  
Review
Biotin Supplementation—The Cause of Hypersensitivity and Significant Interference in Allergy Diagnostics
by Kinga Lis
Nutrients 2025, 17(15), 2423; https://doi.org/10.3390/nu17152423 - 24 Jul 2025
Viewed by 189
Abstract
Biotin (vitamin B7) is a common, naturally occurring water-soluble vitamin. It belongs to the broad group of B vitamins. It is a common ingredient in dietary supplements, cosmetics, medicines, and parapharmaceutical preparations administered orally or applied topically (to the skin, hair, nails). The [...] Read more.
Biotin (vitamin B7) is a common, naturally occurring water-soluble vitamin. It belongs to the broad group of B vitamins. It is a common ingredient in dietary supplements, cosmetics, medicines, and parapharmaceutical preparations administered orally or applied topically (to the skin, hair, nails). The problem of the relationship between vitamin B supplementation and sensitivity seems to be multi-threaded. There is little literature data that would confirm that oral vitamin B supplementation or local exposure to biotin is a significant sensitizing factor. Moreover, it seems that allergy to vitamin B7 is very rare. It is possible, however, that the relationship between biotin and hypersensitivity is not limited to its direct action, but results from its essential metabolic function. Vitamin B7, as a cofactor of five carboxylases, affects the main pathways of cellular metabolism. Both deficiency and excess of biotin can result in metabolic disorders, which can have a significant impact on the homeostasis of the entire organism, including the efficient functioning of the immune system. Dysregulation of immune systems leads to its dysfunctional functioning, which can also lead to sensitization to various environmental antigens (allergens). Biotin is also used as an element of some methodological models in immunochemical tests (in vitro diagnostics), including methods used to measure the concentration of immunoglobulin E (IgE), both total (tIgE) and allergen-specific (sIgE). For this reason, vitamin B7 supplementation can be a significant interfering factor in some immunochemical tests, which can lead to false laboratory test results, both false positive and false negative, depending on the test format. This situation can have a direct impact on the quality and effectiveness of diagnostics in various clinical situations, including allergy diagnostics. This review focuses on the role of biotin in allergic reactions, both as a causative factor (allergen/hapten), a factor predisposing to the development of sensitization to various allergens, and an interfering factor in immunochemical methods used in laboratory diagnosis of hypersensitivity reactions and how it can be prevented. Full article
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23 pages, 6611 KiB  
Article
Investigating Lipid and Energy Dyshomeostasis Induced by Per- and Polyfluoroalkyl Substances (PFAS) Congeners in Mouse Model Using Systems Biology Approaches
by Esraa Gabal, Marwah Azaizeh and Priyanka Baloni
Metabolites 2025, 15(8), 499; https://doi.org/10.3390/metabo15080499 - 24 Jul 2025
Viewed by 354
Abstract
Background: Exposure to per- and polyfluoroalkyl substances (PFAS, including 7H-Perfluoro-4-methyl-3,6-dioxaoctanesulfonic acid (PFESA-BP2), perfluorooctanoic acid (PFOA), and hexafluoropropylene oxide (GenX), has been associated with liver dysfunction. While previous research has characterized PFAS-induced hepatic lipid alterations, their downstream effects on energy metabolism remain unclear. This [...] Read more.
Background: Exposure to per- and polyfluoroalkyl substances (PFAS, including 7H-Perfluoro-4-methyl-3,6-dioxaoctanesulfonic acid (PFESA-BP2), perfluorooctanoic acid (PFOA), and hexafluoropropylene oxide (GenX), has been associated with liver dysfunction. While previous research has characterized PFAS-induced hepatic lipid alterations, their downstream effects on energy metabolism remain unclear. This study investigates metabolic alterations in the liver following PFAS exposure to identify mechanisms leading to hepatoxicity. Methods: We analyzed RNA sequencing datasets of mouse liver tissues exposed to PFAS to identify metabolic pathways influenced by the chemical toxicant. We integrated the transcriptome data with a mouse genome-scale metabolic model to perform in silico flux analysis and investigated reactions and genes associated with lipid and energy metabolism. Results: PFESA-BP2 exposure caused dose- and sex-dependent changes, including upregulation of fatty acid metabolism, β-oxidation, and cholesterol biosynthesis. On the contrary, triglycerides, sphingolipids, and glycerophospholipids metabolism were suppressed. Simulations from the integrated genome-scale metabolic models confirmed increased flux for mevalonate and lanosterol metabolism, supporting potential cholesterol accumulation. GenX and PFOA triggered strong PPARα-dependent responses, especially in β-oxidation and lipolysis, which were attenuated in PPARα−/− mice. Mitochondrial fatty acid transport and acylcarnitine turnover were also disrupted, suggesting impaired mitochondrial dysfunction. Additional PFAS effects included perturbations in the tricarboxylic acid (TCA) cycle, oxidative phosphorylation, and blood–brain barrier (BBB) function, pointing to broader systemic toxicity. Conclusions: Our findings highlight key metabolic signatures and suggest PFAS-mediated disruption of hepatic and possibly neurological functions. This study underscores the utility of genome-scale metabolic modeling as a powerful tool to interpret transcriptomic data and predict systemic metabolic outcomes of toxicant exposure. Full article
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