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20 pages, 1943 KB  
Article
Experimental and Machine Learning Modelling of Ni(II) Ion Adsorption onto Guar Gum: Artificial Neural Network (ANN) and K-Nearest Neighbor (KNN) Comparative Study
by Ismat H. Ali, Malak F. Alqahtani, Nasma D. Eljack, Sawsan B. Eltahir, Makka Hashim Ahmed and Abubakr Elkhaleefa
Polymers 2025, 17(20), 2791; https://doi.org/10.3390/polym17202791 (registering DOI) - 18 Oct 2025
Abstract
In this study, a guar gum-based adsorbent was developed and evaluated for the removal of Ni(II) ions from aqueous solutions through a combined experimental and machine learning (ML) approach. The adsorbent was characterized using FTIR, SEM, XRD, TGA, and BET analyses to confirm [...] Read more.
In this study, a guar gum-based adsorbent was developed and evaluated for the removal of Ni(II) ions from aqueous solutions through a combined experimental and machine learning (ML) approach. The adsorbent was characterized using FTIR, SEM, XRD, TGA, and BET analyses to confirm surface functionality and porous morphology suitable for metal binding. Batch adsorption experiments were conducted to optimize the effects of pH, adsorbent dosage, contact time, temperature, and initial metal concentration. The adsorption efficiency increased with higher pH and adsorbent dosage, achieving a maximum Ni(II) removal of 97% (qₘ = 86.0 mg g−1) under optimal conditions (pH 6.0, dosage 1.0 g L−1, contact time 60 min, and initial concentration 50 mg L−1). The process followed the pseudo-second-order kinetic and Langmuir isotherm models. Thermodynamic results revealed the spontaneous, endothermic, and physical nature of the adsorption process. To complement the experimental findings, artificial neural network (ANN) and k-nearest neighbor (KNN) models were developed to predict Ni(II) removal efficiency based on process parameters. The ANN model yielded a higher prediction accuracy (R2 = 0.97) compared to KNN (R2 = 0.95), validating the strong correlation between experimental and predicted outcomes. The convergence of experimental optimization and ML prediction demonstrates a robust framework for designing eco-friendly, biopolymer-based adsorbents for heavy metal remediation. Full article
(This article belongs to the Special Issue Application of Natural-Based Polymers in Water Treatment)
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25 pages, 2836 KB  
Article
Synthesis of a CCNC–Silica–Graphene Oxide Porous Monolith for Efficient Copper Ion Removal
by Nduduzo Khumalo, Samson Mohomane, Vetrimurugan Elumalai and Tshwafo Motaung
Gels 2025, 11(10), 832; https://doi.org/10.3390/gels11100832 - 17 Oct 2025
Abstract
Heavy metal contamination in water, predominantly from copper (Cu(II)) ions, poses substantial risks to human and environmental health. This study developed a novel, robust adsorbent known as a carboxylate cellulose nanocrystal–silica–graphene oxide hybrid composite porous monolith, which effectively removes Cu(II) from water in [...] Read more.
Heavy metal contamination in water, predominantly from copper (Cu(II)) ions, poses substantial risks to human and environmental health. This study developed a novel, robust adsorbent known as a carboxylate cellulose nanocrystal–silica–graphene oxide hybrid composite porous monolith, which effectively removes Cu(II) from water in a rapid manner. Carboxylate cellulose nanocrystals with enhanced metal-binding properties were synthesized from cellulose extracted from sugarcane bagasse, a significant agricultural byproduct. The porous monolith was synthesized through the combination of carboxylate cellulose nanocrystals, tetraethyl orthosilicate (TEOS), and graphene oxide, utilizing a sol–gel method. The efficacy of the synthesis was confirmed using Fourier-Transform Infra-red (FTIR), X-ray diffraction (XRD), thermogravimetric analysis (TGA), scanning electron microscope (SEM), and Brunauer–Emmett–Teller (BET) analyses. The material exhibited a highly porous mesoporous structure with a surface area of 512 m2/g, signifying a significant enhancement. Batch adsorption experiments under optimal conditions (pH = 5.5, contact time = 240 min, initial concentration = 200 mg/L) demonstrated a high experimental adsorption capacity of 172 mg/g for Cu(II). The adsorption process was best described by the Langmuir isotherm model, which yielded a theoretical maximum capacity (qm) of 172 mg/g, and the pseudo-second-order kinetic model, confirming monolayer coverage and chemisorption as the rate-limiting step. Thermodynamic analyses demonstrate that the process is both spontaneous and exothermic. The porous monolith demonstrates the capability for multiple uses, maintaining over 70% efficiency after five cycles. The findings indicate that the carboxylate cellulose nanocrystal–silica–graphene oxide hybrid composite porous monolith is an efficient and robust method for the remediation of copper-contaminated water. Full article
(This article belongs to the Section Gel Analysis and Characterization)
21 pages, 2023 KB  
Article
Efficient Decolourisation of Astrazon Pink Dye Using Biocarbon Derived from Prosopis juliflora Shells: Kinetics, Isotherms, and RSM-Based Optimization for Sustainable Wastewater Treatment
by Lakshmi Mohanraj and Ranjitha Jambulingam
Reactions 2025, 6(4), 57; https://doi.org/10.3390/reactions6040057 - 17 Oct 2025
Abstract
This study investigates the efficiency of biocarbon derived from Prosopis juliflora shells in removing Astrazon pink dye from aqueous solutions. The biocarbon obtained from the thermochemical process was characterised using FTIR Spectroscopy, SEM microscopy with Energy-Dispersive X-ray Spectroscopy (SEM-EDS), and XRD. Batch adsorption [...] Read more.
This study investigates the efficiency of biocarbon derived from Prosopis juliflora shells in removing Astrazon pink dye from aqueous solutions. The biocarbon obtained from the thermochemical process was characterised using FTIR Spectroscopy, SEM microscopy with Energy-Dispersive X-ray Spectroscopy (SEM-EDS), and XRD. Batch adsorption experiments were conducted to assess various factors, including the Potential of Hydrogen (pH), Dosage of biocarbon, Astrazon pink dye concentration, temperature, and Time of contact. Similarly, Adsorption isotherm models, including the Langmuir and the Freundlich isotherms, were used to evaluate the adsorption capacity. In contrast, pseudo-first-order and pseudo-second-order models were used to analyse the kinetics of dye adsorption. The interactive effects of selected variables on the removal of Astrazon Pink dye from synthetic water were determined using Response Surface Methodology (RSM). The maximum dye uptake, 98.54%, was achieved with a biochar dose of 8 g/L at 50 ppm dye concentration, pH 7.5, and 35 °C. The Freundlich adsorption isotherm model and the pseudo-second-order kinetic model are the better-fitting models for the dye adsorption process, with R2 values of 0.99. Consequently, the thermodynamic parameters indicate that the process is endothermic and spontaneous. Full article
27 pages, 43811 KB  
Article
Development of a Chestnut Shell Bio-Adsorbent for Cationic Pollutants: Encapsulation in an Alginate Carrier for Application in a Flow System
by Atef Aljnin, Gorica Cvijanović, Bojan Stojadinović, Milutin Milosavljević, Katarina Simić, Aleksandar D. Marinković and Nataša Đ. Knežević
Processes 2025, 13(10), 3314; https://doi.org/10.3390/pr13103314 - 16 Oct 2025
Viewed by 108
Abstract
Melanin-based biosorbents (MiCS), derived from chestnut shells, were encapsulated in sodium alginate to obtain MiCS@Alg, useful in a column adsorption study. MiCS contains various acidic surface groups able to participate in the removal of cationic pollutants from aqueous solutions. The MiCS and MiCS@Alg [...] Read more.
Melanin-based biosorbents (MiCS), derived from chestnut shells, were encapsulated in sodium alginate to obtain MiCS@Alg, useful in a column adsorption study. MiCS contains various acidic surface groups able to participate in the removal of cationic pollutants from aqueous solutions. The MiCS and MiCS@Alg were characterized by Fourier-transform Infrared Spectroscopy (FTIR), Scanning Electron Microscopy (SEM), and Dynamic Light Scattering (DLS), while zeta potential and particle size analyses were performed to gain deeper insight into surface charge behavior. Batch adsorption experiments were carried out at three different temperatures, demonstrating that the adsorption kinetics followed a pseudo-second-order (PSO) model and that the Freundlich model best described the equilibrium data. The process was found to be endothermic and spontaneous, with maximum adsorption capacities of 300.2 mg g−1 (BR2), 201.5 mg g−1 (BY28) and 73.08 mg g−1 (NH3) on MiCS, and 189.3 mg g−1 (BR2), 117.1 mg g−1 (BY28) and 50.06 mg g−1 (NH3) on MiCS@Alg at 45 °C and compared with the unmodified chestnut shell. The MiCS and MiCS@Alg exhibited good adsorption performance, improved environmental compatibility, and greater reusability. Overall, these results highlight MiCS@Alg as a cost-effective, sustainable, and highly promising novel biosorbent for the removal of cationic pollutants (BR2, BY28, and NH3) from water. Full article
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22 pages, 2322 KB  
Article
Adsorption of Methylene Blue (MB) Using Novel Synthesized Phosphogypsum Flotation Tailings-Derived Zeolite (PGTZ): Experimental and Modeling Approaches
by Changxin Li, Jinyu Yang, Shanpei Liu, Nan Liu, Lili Zhang and Lu Ren
Separations 2025, 12(10), 286; https://doi.org/10.3390/separations12100286 - 16 Oct 2025
Viewed by 165
Abstract
A phosphogypsum flotation tailings-derived zeolite (PGTZ) was synthesized from the tailings produced during the reverse flotation of phosphogypsum through alkaline fusion and hydrothermal treatment. The response surface methodology (RSM) utilizing a three-level Box–Behnken design (BBD) was used to assess the adsorption of MB [...] Read more.
A phosphogypsum flotation tailings-derived zeolite (PGTZ) was synthesized from the tailings produced during the reverse flotation of phosphogypsum through alkaline fusion and hydrothermal treatment. The response surface methodology (RSM) utilizing a three-level Box–Behnken design (BBD) was used to assess the adsorption of MB by PGTZ. Polynomial regression models were developed to analyze the effects of process parameters on adsorption capacity (qe). The maximum MB adsorption occurred under the following optimized conditions: PGTZ dosage = 5.31 g·L−1; initial MB concentration = 294.59 mg·L−1; pH = 7.42; and adsorption time = 187.89 min. Additionally, adsorption isotherm and kinetic models were fitted to the experimental data to determine model parameters. The Langmuir isotherm model and pseudo-second-order kinetic model incorporating intraparticle diffusion were able to effectively predict MB adsorption onto PGTZ. Thermodynamic analyses indicated that the adsorption process was spontaneous, with strong chemical interactions between MB and PGTZ. Full article
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23 pages, 5923 KB  
Article
Mechanistic Study of Methyl Orange Removal by Fe3O4@MIL-53(Fe Cu) Composite Material
by Xiuzhen Yang, Xiaochen Yue, Tianjiao He and Changye Wang
Water 2025, 17(20), 2980; https://doi.org/10.3390/w17202980 - 16 Oct 2025
Viewed by 221
Abstract
A novel magnetic composite, Fe3O4@MIL-53(Fe Cu), was successfully synthesized and applied for the efficient removal of methyl orange (MO) from aqueous solutions. The ad sorption performance was systematically evaluated under various conditions, including adsorbent dosage, solution pH, coexisting anions, [...] Read more.
A novel magnetic composite, Fe3O4@MIL-53(Fe Cu), was successfully synthesized and applied for the efficient removal of methyl orange (MO) from aqueous solutions. The ad sorption performance was systematically evaluated under various conditions, including adsorbent dosage, solution pH, coexisting anions, and regeneration cycles. The results demonstrated that an optimal dosage of 20 mg achieved a removal efficiency exceeding 85%, with maximum adsorption observed at pH 3. The presence of common anions (Cl, SO42−, CO32−, and PO43−) showed negligible effects on MO removal. Kinetic studies revealed that the adsorption process followed the pseudo-second-order model. Although minor chemisorption contributions were observed, the Dubinin–Radushkevich (D–R) model confirmed the predominance of physical adsorption. The Freundlich isotherm provided the best fit to the equilibrium data, indicating a maximum adsorption capacity of 193.65 mg/g and suggesting multilayer adsorption on a heterogeneous surface. Thermodynamic analysis confirmed the spontaneous and endothermic nature of the adsorption process. The primary mechanisms governing MO adsorption were identified as electrostatic attraction, π–π interactions, and hydrogen bonding. The composite exhibited excellent reusability over multiple cycles, demonstrating its potential for practical wastewater treatment applications. Full article
(This article belongs to the Section Wastewater Treatment and Reuse)
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16 pages, 509 KB  
Article
In-Hospital Cardiac Arrest Management: Retrospective Cohort and Process–Outcomes Analysis in a Costa Rica Hospital
by Abigail Fallas-Mora, Jeaustin Mora-Jiménez, Kevin Cruz-Mora, José Miguel Chaverri-Fernández, José Pablo Díaz-Madriz, Guillermo Fernández-Aguilar and Esteban Zavaleta-Monestel
Emerg. Care Med. 2025, 2(4), 48; https://doi.org/10.3390/ecm2040048 - 14 Oct 2025
Viewed by 106
Abstract
Background/Objectives: In-hospital cardiac arrest (IHCA) remains a critical event with high mortality, requiring coordinated multidisciplinary response. Return of spontaneous circulation (ROSC) and hospital discharge rates are key quality indicators in resuscitation efforts. In Costa Rica, there is limited published data on team performance, [...] Read more.
Background/Objectives: In-hospital cardiac arrest (IHCA) remains a critical event with high mortality, requiring coordinated multidisciplinary response. Return of spontaneous circulation (ROSC) and hospital discharge rates are key quality indicators in resuscitation efforts. In Costa Rica, there is limited published data on team performance, protocol adherence, and the pharmacist’s role in code blue events, despite similar evidence gaps across Latin America. This study aimed to evaluate clinical outcomes and operational performance of in-hospital cardiac arrest events at a Costa Rica hospital. Methods: This retrospective cohort study included 77 adult patients who experienced IHCA at Clínica Bíblica between 2020 and 2024. Data collection was conducted between February and May 2025 from electronic medical records and code blue activation logs. Clinical variables, comorbidities, pharmacologic interventions, and outcomes were analyzed. Predictive models (Charlson Comorbidity Index [CCI], IHCA-ROSC, RISQ-PATH) and Kaplan–Meier survival analysis were applied. Results: ROSC was achieved in 55.8% of patients, and 21% were discharged alive. Asystole was the predominant initial rhythm (76.6%), and comorbidities such as renal disease and myocardial infarction were most frequent. A higher comorbidity burden was significantly associated with lower discharge rates (p = 0.032). Despite 98.7% of patients being classified as low probability for ROSC by the IHCA-ROSC model, observed outcomes exceeded expectations (predicted: 5.53% vs. actual: 55.84%; p < 0.000001). The code team adhered to institutional protocols in 100% of cases, with clinical pharmacists playing a key role in documentation and medication tracking. Conclusions: Structured multidisciplinary response was associated with ROSC rates notably higher than predicted by validated models. Opportunities for improvement include post-event laboratory testing, pharmacist-led documentation, and therapeutic hypothermia in shockable rhythms. Full article
(This article belongs to the Special Issue Emergency Medicine Update: Cardiopulmonary Resuscitation)
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25 pages, 6760 KB  
Article
Hybrid PK-P/Fe3O4 Catalyst Derived from Pumpkin Peel (Bio-Waste) for Synozol Red KHL Dye Oxidation Under Photo-Fenton Reaction
by M. M. Nour, Maha A. Tony, Mai K. Fouad and Hossam A. Nabwey
Catalysts 2025, 15(10), 977; https://doi.org/10.3390/catal15100977 - 13 Oct 2025
Viewed by 476
Abstract
This study introduces a novel photocatalyst derived from pumpkin peel bio-waste, calcined at 200 °C and incorporated with magnetite nanoparticles to form a hybrid PK-P/Fe3O4 catalyst. The material was characterized using X-ray diffraction (XRD), diffuse reflectance spectra (DRS), and scanning [...] Read more.
This study introduces a novel photocatalyst derived from pumpkin peel bio-waste, calcined at 200 °C and incorporated with magnetite nanoparticles to form a hybrid PK-P/Fe3O4 catalyst. The material was characterized using X-ray diffraction (XRD), diffuse reflectance spectra (DRS), and scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDX) mapping to confirm its structure and elemental distribution. The catalyst was applied for the photo-Fenton degradation of Synozol Red KHL dye under natural solution conditions (pH 5.7). Optimal parameters were achieved with a 20 mg/L catalyst and 200 mg/L H2O2, resulting in complete dye removal within 25 min of irradiation. The PK-P/Fe3O4 catalyst exhibited excellent reusability, retaining 72% removal efficiency after 10 successive cycles. Kinetic analysis confirmed a first-order model, while thermodynamic evaluation revealed a non-spontaneous, endothermic process with a low activation energy barrier, indicating energy-efficient dye degradation. These findings highlight the potential of bio-waste-derived PK-P/Fe3O4 as a sustainable, low-cost, and highly effective catalyst for treating dye-polluted wastewater under photo-Fenton conditions. Full article
(This article belongs to the Special Issue Environmentally Friendly Catalysis for Green Future)
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13 pages, 274 KB  
Article
Clinical and Radiological Predictors for Early Hematoma Expansion After Spontaneous Intracerebral Hemorrhage: A Retrospective Study
by EJun Kim, Jee Hye Wee, Yi Hwa Choi, Hyuntaek Rim, In Bok Chang, Joon Ho Song, Yong Gil Hong and Ji Hee Kim
Neurol. Int. 2025, 17(10), 170; https://doi.org/10.3390/neurolint17100170 - 12 Oct 2025
Viewed by 271
Abstract
Background: Early hematoma expansion is a major determinant of poor outcomes after spontaneous intracerebral hemorrhage (ICH). Identifying reliable predictors of hematoma expansion may facilitate risk stratification and timely interventions. This study aimed to evaluate clinical, laboratory, and radiological factors associated with early hematoma [...] Read more.
Background: Early hematoma expansion is a major determinant of poor outcomes after spontaneous intracerebral hemorrhage (ICH). Identifying reliable predictors of hematoma expansion may facilitate risk stratification and timely interventions. This study aimed to evaluate clinical, laboratory, and radiological factors associated with early hematoma expansion within 24 h. Methods: We retrospectively analyzed consecutive patients with spontaneous ICH admitted to a tertiary hospital in Korea between 2009 and 2021. Inclusion criteria were aged ≥ 18 years, primary spontaneous ICH, baseline non-contrast CT (NCCT), and follow-up CT within 24 h. Clinical, laboratory, and medication histories were collected, and NCCT/CT angiography (CTA) imaging markers (spot sign, blend sign, hypodensity, swirl sign, black hole sign, island sign, mean hematoma density) were evaluated. Early hematoma expansion was defined as an absolute volume increase ≥6 cm3 or a relative increase ≥33% on follow-up CT. Multivariate logistic regression identified independent predictors. Results: Among 899 screened patients, 581 met inclusion criteria (mean age 61.6 years; 59.7% male). Seventy-eight patients (13.4%) experienced early hematoma expansion. Independent predictors included CTA spot sign (adjusted OR 9.001, 95% CI 4.414–18.354), blend sign (OR 3.054, 95% CI 1.349–6.910), mean hematoma density <60 HU (OR 2.432, 95% CI 1.271–4.655), male sex (OR 2.902, 95% CI 1.419–5.935), and statin use (OR 2.990, 95% CI 1.149–7.782). Prior antiplatelet therapy was associated with a reduced risk of hematoma expansion (OR 0.118, 95% CI 0.014–0.981). Conclusions: Early hematoma expansion occurred in 13.4% of patients and was predicted by a combination of CTA and NCCT markers, as well as clinical and pharmacological factors. Spot sign remained the strongest predictor, while NCCT features such as blend sign and low hematoma density also provided practical prognostic value. These findings underscore the multifactorial pathophysiology of ICH expansion and highlight the importance of integrating imaging, clinical, and therapeutic variables into prediction models to improve early risk stratification and guide targeted interventions. Full article
(This article belongs to the Section Brain Tumor and Brain Injury)
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18 pages, 3585 KB  
Article
Prediction of Spontaneous Combustion Three-Zone Distribution in Gobs During the Terminal Mining Phase Based on WOA-BP Model
by Pengyu Wen, Wei Liu, Shiyang Peng and Ruilin Li
Fire 2025, 8(10), 396; https://doi.org/10.3390/fire8100396 - 12 Oct 2025
Viewed by 396
Abstract
During the terminal mining phase of in gobs, the advancing rate slows gradually, and the distribution of spontaneous combustion three-zone in gobs undergoes significant changes, yet there remains a lack of simple and effective prediction methods. To address this issue, the oxygen concentration [...] Read more.
During the terminal mining phase of in gobs, the advancing rate slows gradually, and the distribution of spontaneous combustion three-zone in gobs undergoes significant changes, yet there remains a lack of simple and effective prediction methods. To address this issue, the oxygen concentration distribution and temperature distribution data on both intake-side and return-side at longwall advancing rates of 2 m/d, 1.2 m/d, and 0.6 m/d were obtained through on-site monitoring. A generative adversarial network was employed to learn from measured data, generating additional usable data to build the dataset. Mining status parameters, oxygen concentration distribution, and temperature distribution were extracted as input variables. Whale optimization algorithm-back propagation model was proposed, establishing nonlinear mapping relationships between advancing rate and initiation depth of oxidation zone/asphyxiation zone. The results demonstrate that (i) the WOA-BP model can effectively predict distribution of spontaneous combustion three-zone during terminal mining phase, significantly improving prediction accuracy compared with BP and AdaBoost-BP; (ii) by SHAP feature analysis, contribution of advancing rate is the highest, which can provide reliable predictive performance; (iii) the slower the advancing rate, the closer the oxidation zone and the asphyxiation zone will be to working surface. This provides a foundational direction for preventing spontaneous combustion in gobs. Full article
(This article belongs to the Special Issue Simulation, Experiment and Modeling of Coal Fires (2nd Edition))
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18 pages, 1555 KB  
Article
Unlocking Antioxidant Potential: Interactions Between Cyanidin-3-Glucoside and Corbicula fluminea Protein
by Sifan Guo, Xuemei Liu, Fei Wang, Yong Jiang, Lili Chen, Meilan Yuan, Li Zhao and Chunqing Bai
Biology 2025, 14(10), 1392; https://doi.org/10.3390/biology14101392 - 11 Oct 2025
Viewed by 279
Abstract
Corbicula fluminea protein (CFP) and cyanidin-3-O-glucoside (C3G) are natural nutrient fortifiers. During consumption or processing, they may interact with each other, inducing alternations in their structural and functional properties. However, nothing was known about the mechanism of their interaction and their synergistic antioxidant [...] Read more.
Corbicula fluminea protein (CFP) and cyanidin-3-O-glucoside (C3G) are natural nutrient fortifiers. During consumption or processing, they may interact with each other, inducing alternations in their structural and functional properties. However, nothing was known about the mechanism of their interaction and their synergistic antioxidant effect. In this research, C3G was physically mixed with CFP to simulate practical scenarios. The impact of the presence of C3G on the multispectral characteristics, antioxidant activity, and particle properties of CFP was examined and compared to chemically fabricated C3G-CFP covalent conjugates. The results indicate that C3G tended to spontaneously bind to CFP and formed compact non-covalent complex, with hydrophobic forces predominantly governing the interaction. This binding resulted in the statically quenched intrinsic fluorescence of CFP, accompanied by a dynamic model. Moreover, C3G preferentially induced Trp residue in CFP exposed to a more polar microenvironment, yet it exerted nearly no effects on CFP when analyzed using ultraviolet–visible (UV-Vis) spectroscopy and synchronous fluorescence spectroscopy (SFS). Additionally, although the formed non-covalent complex demonstrated strengthened antioxidant capacity, C3G displayed an antagonistic effect with CFP, whereas lower C3G concentrations led to synergistic effects in covalent conjugates. These findings provide new insights into the effective application of C3G and CFP as nutritional antioxidants. Full article
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28 pages, 4654 KB  
Article
Preparation and Characterization of an Acid-Responsive ZIF-8 Hydrogel Dressing with Sustained-Release Function for Targeted Therapy of Periodontitis
by Bingbing Chen, Mengqi Hao, Hao Cui, Rui Zeng, Hang Ma, Anying Long and Xuegang Li
Gels 2025, 11(10), 813; https://doi.org/10.3390/gels11100813 - 10 Oct 2025
Viewed by 218
Abstract
Periodontitis is a chronic oral inflammatory disease whose treatment is often hindered by poor drug retention, prolonged therapeutic regimens, and the rise of antibiotic resistance. In this study, we developed a Hydrogel@ZIF-8@metronidazole (Hydrogel@ZIF-8@MNZ) nanocomposite dressing for targeted, sustained, and in situ antimicrobial therapy. [...] Read more.
Periodontitis is a chronic oral inflammatory disease whose treatment is often hindered by poor drug retention, prolonged therapeutic regimens, and the rise of antibiotic resistance. In this study, we developed a Hydrogel@ZIF-8@metronidazole (Hydrogel@ZIF-8@MNZ) nanocomposite dressing for targeted, sustained, and in situ antimicrobial therapy. This system integrates ZIF-8, a pH-responsive metal–organic framework, with the antimicrobial agent metronidazole (MNZ), encapsulated within a crosslinked hydrogel matrix to enhance stability and retention in the oral environment. Drug release studies demonstrated that MNZ release was significantly accelerated under acidic conditions (pH 5.0), mimicking the periodontal microenvironment. The Hydrogel@ZIF-8 composite achieved a maximum MNZ adsorption capacity of 132.45 mg·g−1, with a spontaneous and exothermic uptake process best described by a pseudo-second-order kinetic model, suggesting chemisorption as the dominant mechanism. The nanoplatform exhibited strong pH-responsive behavior, with enhanced drug release under acidic conditions and potent dose-dependent bactericidal activity against Fusobacterium nucleatum (Fn). At the highest tested concentration, bacterial survival was reduced to approximately 30%, with extensive membrane disruption observed through live/dead fluorescence microscopy. In summary, the stimuli-responsive Hydrogel@ZIF-8@MNZ nanocomposite offers an intelligent and effective therapeutic strategy for periodontitis. By tailoring its action to the disease microenvironment, this platform enables sustained and localized antibacterial therapy, addressing major challenges in the treatment of chronic oral infections. Full article
(This article belongs to the Special Issue Advances in Organogelators: Preparation, Properties, and Applications)
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31 pages, 736 KB  
Review
Inside the Tumor: Decoding the Feline Mammary Tumor Microenvironment and Its Prognostic Value—A Review
by Joana Rodrigues-Jesus, Ana Canadas-Sousa, Hugo Vilhena and Patrícia Dias-Pereira
Vet. Sci. 2025, 12(10), 959; https://doi.org/10.3390/vetsci12100959 - 8 Oct 2025
Viewed by 533
Abstract
The tumor microenvironment (TME) comprises neoplastic and stromal cells, and extracellular matrix elements, all engaging in a complex interplay that ultimately dictates tumorigenesis, cancer progression, and therapeutic response. While extensive research on the TME has been conducted in human oncology, data on its [...] Read more.
The tumor microenvironment (TME) comprises neoplastic and stromal cells, and extracellular matrix elements, all engaging in a complex interplay that ultimately dictates tumorigenesis, cancer progression, and therapeutic response. While extensive research on the TME has been conducted in human oncology, data on its veterinary counterpart, particularly in feline mammary tumors (FMTs), are still scarce. In this review, we explore current understanding of feline mammary carcinoma (FMC) microenvironment, focusing on tumor necrosis, fibrosis, angiogenesis, adipose tissue tumor-associated inflammation, extracellular vesicles, and epithelial–mesenchymal transition (EMT) and their prognostic implications. In FMC, remodeling of collagen fibers, cancer-associated fibroblasts (CAFs), regulatory T cells (Tregs) and elevated serum leptin have been associated with poor prognosis, whereas stromal cytotoxic T cells correlate with more favorable outcomes. By contrast, findings on necrosis and pro-angiogenic factors remain inconsistent, and research on extracellular vesicles (EVs) is still in its early stages. This review presents insights from human breast cancer (HBC) that further support and elucidate the potential relevance of these TME components. As FMCs are highly aggressive tumors, a deeper understanding of their microenvironment could not only improve prognostic accuracy but also uncover novel therapeutic targets. Furthermore, due to their similarities, FMCs offer a potential valuable spontaneous model for HBC, particularly for the aggressive triple-negative phenotypes. Full article
(This article belongs to the Special Issue Comparative Oncology of Companion Animals)
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58 pages, 4362 KB  
Review
Non-Perturbative Approaches to Linear and Nonlinear Responses of Atoms, Molecules, and Molecular Aggregates: A Theoretical Approach to Molecular Quantum Information and Quantum Biology
by Satoru Yamada, Takao Kobayashi, Masahiro Takahata, Hiroya Nitta, Hiroshi Isobe, Takashi Kawakami, Shusuke Yamanaka, Mitsutaka Okumura and Kizashi Yamaguchi
Chemistry 2025, 7(5), 164; https://doi.org/10.3390/chemistry7050164 - 7 Oct 2025
Viewed by 339
Abstract
Non-perturbative approaches to linear and nonlinear responses (NLR) of atoms, molecules, and molecular aggregates are reviewed in relation to low and high harmonic generations (HG) by laser fields. These response properties are effective for the generation of entangled light pairs for quantum information [...] Read more.
Non-perturbative approaches to linear and nonlinear responses (NLR) of atoms, molecules, and molecular aggregates are reviewed in relation to low and high harmonic generations (HG) by laser fields. These response properties are effective for the generation of entangled light pairs for quantum information processing by spontaneous parametric downconversion (SPDC) and stimulated four-wave mixing (SFWM). Quasi-energy derivative (QED) methods, such as QED Møller–Plesset (MP) perturbation, are reviewed as time-dependent variational methods (TDVP), providing analytical expressions of time-dependent linear and nonlinear responses of open-shell atoms, molecules, and molecular aggregates. Numerical Liouville methods for the low HG (LHG) and high HG (HHG) regimes are reviewed to elucidate the NLR of molecules in both LHG and HHG regimes. Three-step models for the generation of HHG in the latter regime are reviewed in relation to developments of attosecond science and spectroscopy. Orbital tomography is also reviewed in relation to the theoretical and experimental studies of the amplitudes and phases of wave functions of open-shell atoms and molecules, such as molecular oxygen, providing the Dyson orbital explanation. Interactions between quantum lights and molecules are theoretically examined in relation to derivations of several distribution functions for quantum information processing, quantum dynamics of molecular aggregates, and future developments of quantum molecular devices such as measurement-based quantum computation (MBQC). Quantum dynamics for energy transfer in dendrimer and related light-harvesting antenna systems are reviewed to examine the classical and quantum dynamics behaviors of photosynthesis. It is shown that quantum coherence plays an important role in the well-organized arrays of chromophores. Finally, applications of quantum optics to molecular quantum information and quantum biology are examined in relation to emerging interdisciplinary frontiers. Full article
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23 pages, 4400 KB  
Article
Assessment of Hydrochar and Porous Carbon from Tectona Grandis Seeds for Removal of Acridine Dyes
by Shubham Chaudhary, Monika Chaudhary, Sarita Kushwaha, Vaishali Tyagi, Shivangi Chaubey, Isabel Pestana da Paixão Cansado, Evgeny Galunin and Suhas
Molecules 2025, 30(19), 3989; https://doi.org/10.3390/molecules30193989 - 4 Oct 2025
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Abstract
This study explores the use of lignocellulosic Tectona grandis seeds (TGs), hydrochar (HC-230-4), and activated carbon (AC-850-5) produced via hydrothermal carbonization and followed by CO2 activation for removing acridine yellow G (AYG) and acridine orange 14 (ABO) from water. HC-230-4 showed a [...] Read more.
This study explores the use of lignocellulosic Tectona grandis seeds (TGs), hydrochar (HC-230-4), and activated carbon (AC-850-5) produced via hydrothermal carbonization and followed by CO2 activation for removing acridine yellow G (AYG) and acridine orange 14 (ABO) from water. HC-230-4 showed a rich presence of surface functional groups and irregular morphology with some sphere-like structures. In contrast, AC-850-5 exhibited a much higher surface area (729.7 m2/g), though with fewer surface functional groups than HC-230-4. The batch method was used to study the effects of contact time, pH, dye concentration, and temperature. Among the materials, AC-850-5 showed the highest adsorption capacity of 198 mg/g for AYG and 171 mg/g for ABO at 25 °C, around 12% higher than commercial activated carbon. The adsorption process was spontaneous and endothermic, fitting well to the Langmuir isotherm model, suggesting monolayer coverage. The adsorption kinetics followed the pseudo-second-order model, indicating that the rate depends on the surface site availability. Intraparticle diffusion analysis further confirmed a multi-step adsorption process. These findings show the strong potential of TG-derived activated carbon as an effective and sustainable material for removing acridine dyes from polluted water. Full article
(This article belongs to the Special Issue Natural-Based Sorbents for Water Remediation)
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