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Keywords = biodegradation products

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24 pages, 6377 KB  
Article
Valorization of Agro-Industrial Waste: Development of Bio-Composite Films from Native Oxalis tuberosa Starch and Keratin Microparticles for Environmental Sustainability
by Diego E. Peralta-Guevara, Fredy Taipe-Pardo, Yasmine Diaz-Barrera, Jhoel Flores-Álvarez and Sofía Pastor-Mina
Processes 2026, 14(11), 1699; https://doi.org/10.3390/pr14111699 (registering DOI) - 24 May 2026
Abstract
The buildup of non-biodegradable plastic waste and poor management of agro-industrial by-products have caused a major environmental crisis. The present research addresses the development of novel materials supporting the circular bioeconomy. This study aimed to develop and characterize bio-composite films derived from native [...] Read more.
The buildup of non-biodegradable plastic waste and poor management of agro-industrial by-products have caused a major environmental crisis. The present research addresses the development of novel materials supporting the circular bioeconomy. This study aimed to develop and characterize bio-composite films derived from native Oxalis tuberosa starch and keratin microparticles (KMPs) extracted from cattle horn waste. The experimental methodology employed a 23 factorial design and involved the characterization of the films included the evaluation of physical and optical properties and the identification of functional groups via spectroscopy, mechanical tests, and thermogravimetric analysis (TGA). The results revealed significant interactions (p ≤ 0.05). Higher processing temperatures were the main reason for the drop in water activity (aw) and moisture content (MC) levels. Concurrently, the incorporation of KMPs reduced water solubility, increased opacity, and enhanced thermal stability. FTIR analysis confirmed the existence of intermolecular interactions between the hydroxyl and amide functional groups. In conclusion, bio-composites composed based on Oxalis tuberosa starch and keratin microparticles represent a sustainable alternative to mitigate the use of conventional plastics in the industry. Full article
23 pages, 1636 KB  
Article
Polyhydroxyalkanoate Production by Gordonia lacunae BS2T in Hydrolysates of Canola FinesS
by Pamela J. Welz, Amrita Ranjan, Thandekile Mthethwa and Marilize le Roes-Hill
Fermentation 2026, 12(5), 250; https://doi.org/10.3390/fermentation12050250 - 21 May 2026
Viewed by 56
Abstract
Microbial polyhydroxyalkanoates (PHAs) are biodegradable biopolymers that are gaining traction as replacements for conventional petroleum-based plastics. In this study, sugar utilization, growth and polyhydroxybutyrate (PHB) and polyhdroxyvalerate (PHV) production in synthetic and real hydrolysates of Canola fines (SHCF, RHCF) by Gordonia lacunae BS2 [...] Read more.
Microbial polyhydroxyalkanoates (PHAs) are biodegradable biopolymers that are gaining traction as replacements for conventional petroleum-based plastics. In this study, sugar utilization, growth and polyhydroxybutyrate (PHB) and polyhdroxyvalerate (PHV) production in synthetic and real hydrolysates of Canola fines (SHCF, RHCF) by Gordonia lacunae BS2T were evaluated: (i) in SHCF under different C:N ratios and O2 availability, and (ii) in SHCF and RHCF (50% and 100%) under shaking v/s static conditions with limited or non-limited O2. The bacterium was able to utilize glucose, cellobiose, arabinose, and xylose. Athough O2 limitation reduced growth, higher measured concentrations of 3-hydroxyvalerate (3HV) were achieved under O2 limitation, translating into slightly higher 3-hydroxybutyrate (3HB)+3HV yields (15.4 ± 2.36 %wt.wt.) than under non-O2 limited conditions (12.4 ± 2.26 %wt.wt.). Notably, 50% RHCF was the most suitable medium for growth and PHB+PHV production, while 100% RHCF was the least suitable. The 3HV+3PV concentration (0.35 g/L), 3HV fraction (24%), and yield (15.4 %wt.wt.) in 50% RHCF were highest under static, O2-limited conditions, corresponding with negligible sugar utilization (1.6 mg/day.100 mL−1 glucose) and suggesting alternative metabolic pathways using other substrates in the RHCF for growth. Nuclear magnetic resonance results indicated that Gordonia lacunae BS2T produces a desirable co-polymer (PHBV), paving the way for ongoing research using this bacterium. Full article
17 pages, 1035 KB  
Article
Hydrocarbon-Resolved Methane Prediction from Diluent Biodegradation in Oil-Sands Tailings
by Ali Hamidoğlu and Hao Wang
Methane 2026, 5(2), 15; https://doi.org/10.3390/methane5020015 - 20 May 2026
Viewed by 87
Abstract
Methane generation from anaerobic biodegradation of fugitive diluent hydrocarbons is an important source of greenhouse gas emissions from oil-sands tailings, yet predictive tools that preserve hydrocarbon-level information remain limited. This study develops a hydrocarbon-resolved methane-prediction model and tests it on a case study [...] Read more.
Methane generation from anaerobic biodegradation of fugitive diluent hydrocarbons is an important source of greenhouse gas emissions from oil-sands tailings, yet predictive tools that preserve hydrocarbon-level information remain limited. This study develops a hydrocarbon-resolved methane-prediction model and tests it on a case study involving a twelve-component diluent mixture containing BTEX, normal alkanes, and iso-alkanes. The model integrates stoichiometric methane yields, compound-specific lag times, Monod-type hydrocarbon consumption, logistic activation, and a single methane-conversion factor to simulate cumulative methane production and group-level methane contributions through time. Model performance is evaluated against measured methane and residual hydrocarbon data using normalized mean square error. The model reproduces cumulative methane with improved normalized mean square error relative to the existing stoichiometric benchmarks, while group-resolved outputs and robustness analyses show that predictive performance is governed primarily by conversion efficiency and lag structure. On the other hand, inclusion of an unresolved biodegradable-substrate fraction did not strengthen model agreement. These results indicate that the modeled hydrocarbon set captures the principal methane-generating substrate pool and that the proposed framework provides an accurate and mechanistically interpretable basis for methane prediction in oil-sands tailings. Full article
(This article belongs to the Special Issue 250 Years of Methane: From Discovery to Global Challenges)
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13 pages, 943 KB  
Article
Fermentative Valorization of Rambutan Peel Ellagitannins: Enhanced Ellagic Acid Release Through Saccharomyces cerevisiae
by Karen De La Rosa-Esteban, Leonardo Sepúlveda, Norma Paola Melendez-Rentería, Mónica L. Chávez-González, Cristóbal N. Aguilar, José Juan Buenrostro-Figueroa and Juan A. Ascacio-Valdés
Waste 2026, 4(2), 15; https://doi.org/10.3390/waste4020015 - 20 May 2026
Viewed by 301
Abstract
Rambutan peel, an abundant agro-industrial by-product, is a rich source of ellagitannins (ETs) and represents a promising substrate for the sustainable production of ellagic acid (EA) through solid-state fermentation (SSF). This study aimed to optimize EA release from rambutan peel ETs by SSF [...] Read more.
Rambutan peel, an abundant agro-industrial by-product, is a rich source of ellagitannins (ETs) and represents a promising substrate for the sustainable production of ellagic acid (EA) through solid-state fermentation (SSF). This study aimed to optimize EA release from rambutan peel ETs by SSF using Saccharomyces cerevisiae 227 in column reactors. We applied a central composite design (CCD) to evaluate and optimize the effects of temperature, NaCl concentration, and peptone supplementation on EA production. We also used HPLC/ESI/MS to identify and quantify EA. Maximum EA yields were obtained under central experimental conditions (treatments 15 and 16: 35 °C, 0.53 g/L NaCl, and 8 g/L peptone), reaching 8.36 ± 1.58 and 8.23 ± 0.52 mg/g, respectively. The predictive model estimated a maximum EA production of 8.29 mg/g, experimentally validated, at 34.6 °C, 0.58 g/L NaCl, and 8.26 g/L peptone, yielding 8.27 ± 0.47 mg/g. HPLC/ESI/MS analysis further confirmed EA formation and the presence of biodegradation products derived from geraniin and corilagin, indicating effective ET biotransformation. These findings establish optimized conditions for EA production from rambutan peel ETs via SSF and demonstrate the feasibility of implementing a sustainable bioprocess for the valorization of this agro-industrial residue. Full article
(This article belongs to the Special Issue Advances in Waste Bioprocessing and Fermentation Technologies)
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4 pages, 157 KB  
Editorial
Editorial: Biocompatible and Biodegradable Polymer Materials
by Lorenzo A. Picos-Corrales, Grégorio Crini and Elizabeth Carvajal-Millan
Polymers 2026, 18(10), 1245; https://doi.org/10.3390/polym18101245 - 20 May 2026
Viewed by 142
Abstract
Biocompatible and biodegradable polymer materials offer essential properties in systems designed to protect human health, preserve food products, and improve water treatment, among other uses [...] Full article
(This article belongs to the Special Issue Biocompatible and Biodegradable Polymer Materials)
54 pages, 43002 KB  
Review
Advancements in Ultrasound Gel Pad Technologies: Enhancing Diagnostic Precision, Procedural Efficiency, and Therapeutic Applications
by Khair Ul Wara, Muhammad Hasan Masrur, Rana Talha Khalid, Hadiya Malik, Komal Tariq, Abdul Alber, Sang-Eun Song, Jawad Hussain and Saad Abdullah
Gels 2026, 12(5), 447; https://doi.org/10.3390/gels12050447 - 19 May 2026
Viewed by 143
Abstract
Ultrasound coupling technology is pivotal to ensuring high-quality diagnostic imaging, yet conventional water-based gels face persistent challenges, including acoustic impedance mismatch, air-bubble formation, dehydration, messiness, and cross-contamination risks. This review presents a comprehensive analysis of the evolution, materials science, and clinical performance of [...] Read more.
Ultrasound coupling technology is pivotal to ensuring high-quality diagnostic imaging, yet conventional water-based gels face persistent challenges, including acoustic impedance mismatch, air-bubble formation, dehydration, messiness, and cross-contamination risks. This review presents a comprehensive analysis of the evolution, materials science, and clinical performance of ultrasound gel pads, an advanced alternative engineered for superior acoustic transmission, hygiene, and patient comfort. Historical progression from early coupling agents to modern polymeric and hydrogel-based pads is traced, highlighting breakthroughs such as bilayer hydrogels, nanocomposite reinforcements, metamaterial-inspired designs, and patient-specific 3D-printed pads. Comparative evaluations demonstrate that gel pads, particularly those integrating nanotechnology, rival but often outperform traditional gels in transmission efficiency, near-field resolution, and adaptability to complex anatomical surfaces, while offering reusability and reduced environmental impact. For instance, solid gel pads achieved 92.3% stone disintegration, compared with 45.5% for semi-liquid gel, in ESWL phantom studies (p < 0.001). Materials, including polyacrylamide, silicone, and advanced hydrogels, are analyzed for mechanical properties, biocompatibility, and sustainability, with emphasis on biodegradable and locally sourced alternatives. Manufacturing innovations ranging from continuous casting to additive manufacturing enable customization, functional integration, and scalable production, although cost, supply chain stability, and regulatory compliance remain critical barriers. By uniting advances in materials engineering, nanotechnology, and precision manufacturing, ultrasound gel pads have demonstrated strong potential to advance coupling media for diagnostic, therapeutic, and wearable ultrasound applications, enabling higher diagnostic accuracy, streamlined workflows, and patient-centered care across diverse clinical and resource-limited settings. Full article
(This article belongs to the Section Gel Applications)
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28 pages, 1504 KB  
Review
Medicinal Plants as Biopesticides Against Pests and Diseases of Maize (Zea mays L.) in Africa: Ethnobotanical Insights and Challenges
by Florence Bukky Aina, Lisa Buwa-Komoreng, Lelethu Unathi-Nkosi Peter Heshula and Charles Shelton Mutengwa
Plants 2026, 15(10), 1549; https://doi.org/10.3390/plants15101549 - 19 May 2026
Viewed by 273
Abstract
Maize (Zea mays L.) is a significant staple food crop in the developing world. Despite its significance, diseases and pests are limiting its supply. Farmers have primarily relied on synthetic chemicals as control measures; however, these chemicals are harmful to humans, animals, [...] Read more.
Maize (Zea mays L.) is a significant staple food crop in the developing world. Despite its significance, diseases and pests are limiting its supply. Farmers have primarily relied on synthetic chemicals as control measures; however, these chemicals are harmful to humans, animals, and the environment and exacerbate pest recurrence. Medicinal plants have shown promising potential as alternative pest- and disease-controlling agents, offering an economical, sustainable, biodegradable, and cost-effective approach. This review article synthesises phytochemical, ethnobotanical, and experimental data from relevant peer-reviewed papers published across various years to identify medicinal plants. Thirty-one unique plant families have been identified and have been used to control pests and diseases of maize. Some families represented both antifungal and insecticidal applications. Medicinal plants such as Senna obtusifolia, Euphorbia balsamifera, Aristolochia ringens, Allium sativum, Azadirachta indica, Carica papaya, Moringa oleifera, and Ficus exasperata have shown antifungal and insecticidal properties, primarily under laboratory conditions. Most of the evidence is derived from laboratory studies, with only limited validation in real field conditions and with limited evaluation of safety for non-target organisms. Furthermore, this review highlighted the extraction methods, solvents used, plant parts, major active ingredients, and mode of action. Future prospects for integrating ethnobotanical knowledge with contemporary scientific methods to optimise biopesticide production are also discussed, along with the challenges of standardisation, formulation, and commercialisation. Full article
(This article belongs to the Section Plant Protection and Biotic Interactions)
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28 pages, 8880 KB  
Review
From Agricultural Food Waste to Edible and Biodegradable Films: A Smart and Sustainable Approach to Meat Packaging
by A. M. M. Nurul Alam, So-Hee Kim, Chan-Jin Kim, Abdul Samad, Swati Kumari, Si-Hoon An, Md Shawkat Ali, Masuma Habib, Ayesha Muazzam, Young-Hwa Hwang and Seon-Tea Joo
Sustain. Chem. 2026, 7(2), 23; https://doi.org/10.3390/suschem7020023 - 18 May 2026
Viewed by 235
Abstract
Research on edible and biodegradable film packaging (EBFP) has increased significantly to explore sustainable alternatives to synthetic packaging and mitigate its environmental impacts. Biomaterials extracted from agricultural food waste (AFW) may be utilized for the fabrication of EBFP as an alternative packaging for [...] Read more.
Research on edible and biodegradable film packaging (EBFP) has increased significantly to explore sustainable alternatives to synthetic packaging and mitigate its environmental impacts. Biomaterials extracted from agricultural food waste (AFW) may be utilized for the fabrication of EBFP as an alternative packaging for meat and meat products. The focal point of this review is to explore the potential AFW biomaterials and bioactive compounds available in industry, and their utilization techniques for fabricating EBFP with ideal mechanical parameters suitable for use as a packaging material. Moreover, research studies have been summarized related to EBFP’s efficacy on meat shelf life, physicochemical, oxidative, and microbial qualities during storage experiments. EBFP fabricated with AFW biomaterials, such as proteins, carbohydrates, essential oils, and bioactive compounds, exhibits favorable film-forming capacity, mechanical properties, barrier properties, biodegradability, and synergy with meat. Latest advances in the application of AFW biomaterials and bioactive compounds based on EBFP for meat packaging are directed toward novel fabrication processes such as electrospinning, solvent casting, and combination of both to produce a hybrid film, which markedly improves the mechanical and barrier properties. Moreover, including bioactive materials from AFW enhances the antioxidant and antimicrobial properties of EBFP to combat the oxidative rancidity and bacteria, fungi, and molds in meat to prolong shelf life. Incorporation of AFW biomaterials and bioactive compounds has improved the intelligent properties of EBFP, which has been effectively used in meat packaging to detect freshness and spoilage of meat through color and pH changes. Full article
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27 pages, 22951 KB  
Article
Valorisation of Pulse Waste: Carboxylic Acid-Based Films from Residual Proteins
by Eram Shaikh, Alessia Belgi, Anita Varghese, Yasuaki Inoue, Andrea Robinson, Antonio Patti and Amit Arora
Appl. Sci. 2026, 16(10), 5000; https://doi.org/10.3390/app16105000 - 17 May 2026
Viewed by 141
Abstract
Rising environmental concerns have intensified interest in waste valorisation and the development of sustainable, bio-based materials through green chemistry approaches. In this study, proteins extracted from waste lentil and chickpea seeds were used to develop protein-based films using a range of carboxylic acids [...] Read more.
Rising environmental concerns have intensified interest in waste valorisation and the development of sustainable, bio-based materials through green chemistry approaches. In this study, proteins extracted from waste lentil and chickpea seeds were used to develop protein-based films using a range of carboxylic acids as cross-linkers. The acids facilitated protein unfolding and promoted intermolecular interactions, allowing tunable control over mechanical strength, barrier performance, and water resistance. In addition to their structural role, the inherent bioactivity of selected carboxylic acids imparted added functionality to the resulting materials. Physical characterisation and FTIR secondary structure analysis revealed that the acid-type, plasticiser, and, in some cases, protein fraction composition influenced the final material performance. Liquid monocarboxylic acids produced cohesive and flexible films, with tensile strength ranging from ~1 to 23 MPa, with formic acid yielding the strongest films. Lactic acid and its blends improved flexibility and reduced permeability, achieving water vapour permeability (WVP) of 5.76 ± 0.7 × 10−12 g m m−2 s−1 Pa−1 and oxygen permeability (OP) of 5.8 ± 0.0 × 10−13 mL m m−2 s−1 Pa−1 at low acid loadings. In contrast, solid di- and polycarboxylic acids tended to crystallise at higher concentrations. Citric acid was an exception, exhibiting behaviour distinct from the other solid acids and producing clear, crystal-free films with excellent flexibility, showing elongation at break (EAB) up to ~326%. Preliminary proof-of-concept application testing demonstrated the suitability of selected films for vegetable shelf-life extension for up to 17 days and for gradual lactic acid release, supporting their potential use as biodegradable cosmetic mask/patch platforms. Full article
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21 pages, 7728 KB  
Article
Valorization of Pineapple Crown for Carboxymethylcellulose Production: Optimization of Pulping Processes, Structural Characterization, and Potential as Seed Coating
by Eulina Fernandes Damião, Diego Palmiro Ramirez Ascheri, Itamar Rosa Teixeira, Roberta Signini, Rejane Dias Pereira Mota and José Luis Ramírez Ascheri
Polymers 2026, 18(10), 1216; https://doi.org/10.3390/polym18101216 - 16 May 2026
Viewed by 313
Abstract
The increasing demand for sustainable agricultural inputs has driven interest in biodegradable polymers from agro-industrial residues. Pineapple crown biomass (PCB), a widely available lignocellulosic waste, represents a promising feedstock for producing carboxymethylcellulose (CMC). However, the optimal pulping and bleaching conditions for CMC synthesis [...] Read more.
The increasing demand for sustainable agricultural inputs has driven interest in biodegradable polymers from agro-industrial residues. Pineapple crown biomass (PCB), a widely available lignocellulosic waste, represents a promising feedstock for producing carboxymethylcellulose (CMC). However, the optimal pulping and bleaching conditions for CMC synthesis from this residue remain underexplored. Nevertheless, the combination of CMC derived from PCB with Bacillus subtilis as a seed coating agent for the bean cultivar has not yet been investigated. Here, we produced cellulosic pulps from PCB using a bioreactor, varying NaOH concentration (1–3%), pulping time (1.5–2.5 h), bleaching volume (55–75 mL) and time (60–120 min). The selected pulping condition (2% NaOH, 1.5 h) yielded pulp with high purity (83.9%) and crystallinity (76.35%). After bleaching (65 mL, 90 min), the material was suitable for CMC synthesis under two conditions: CMC1 and CMC2. CMC2 showed a higher degree of substitution (1.010) than CMC1 (0.620) but led to reduced seed germination (77.67%) due to excessive water retention and fungal growth. In contrast, CMC1, with or without B. subtilis, maintained high germination (91%) and significantly increased seedling length (21.30 cm). We conclude that PCB is a viable feedstock for CMC production, and CMC1 exhibits strong potential as an effective seed coating agent for sustainable agriculture. Full article
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29 pages, 9973 KB  
Article
Biodegradation of Synthetic Polymers Used in Consolidation of Deteriorated Limestone Monuments
by Shimaa Ibrahim, Moez A. Ibrahim, Dina M. Atwa, Rageh K. Hussein and Hesham Abdulla
Polymers 2026, 18(10), 1218; https://doi.org/10.3390/polym18101218 - 16 May 2026
Viewed by 495
Abstract
Synthetic polymers are widely used in stone conservation, yet their long-term biological stability remains insufficiently evaluated. This study investigates the microbial susceptibility of three commonly used acrylic consolidants, Paraloid B-72, B-66, and B-44, applied to deteriorated limestone. Bacteria, fungi, and actinomycetes were isolated [...] Read more.
Synthetic polymers are widely used in stone conservation, yet their long-term biological stability remains insufficiently evaluated. This study investigates the microbial susceptibility of three commonly used acrylic consolidants, Paraloid B-72, B-66, and B-44, applied to deteriorated limestone. Bacteria, fungi, and actinomycetes were isolated from a deteriorated limestone false door and screened for acid production. From each microbial group, only the strong acid-producing isolates were selected for further investigation, including evaluation of their ability to utilize the three Paraloid resins as sole carbon sources and their deterioration potential on limestone cubes before and after consolidation. Deterioration was assessed by weight loss, compressive strength testing, stereomicroscopy, scanning electron microscopy (SEM), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FTIR). All selected strong acid-producing isolates demonstrated the ability to grow on the tested polymers, confirming their biodegradation potential. Mixed microbial cultures caused greater weight loss and compressive strength reduction than single isolates, attributed to synergistic metabolic interactions. Among the consolidants, Paraloid B-72 showed the highest susceptibility to microbial attack, while Paraloid B-66 exhibited comparatively greater resistance, attributed to the steric hindrance of its isobutyl side groups and higher surface hydrophobicity. FTIR and XRD analyses confirmed ester bond hydrolysis, progressive gypsum formation, and structural alteration of the limestone substrate. These findings demonstrate that acrylic consolidants commonly used in stone conservation are not biologically inert and may actively contribute to biodeterioration under microbial colonization, highlighting the need for developing bio-resistant conservation materials. Full article
(This article belongs to the Section Biobased and Biodegradable Polymers)
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12 pages, 2252 KB  
Article
Production of Polyhydroxybutyrate from Lignocellulosic Hydrolysates Using Mixed Microbial Cultures
by Huanjun Yuan, Fen Yin, Bingxin Liu, Jingjing Yang and Jieru Nan
Fermentation 2026, 12(5), 242; https://doi.org/10.3390/fermentation12050242 - 16 May 2026
Viewed by 229
Abstract
This study investigated the production of poly(3-hydroxybutyrate) (PHB) using mixed microbial cultures (MMCs) with lignocellulosic hydrolysates as a carbon source. Single-factor experiments were conducted to examine the effects of substrate concentration, C/N ratio, and pH on PHB synthesis. The highest PHB yield (612.35 [...] Read more.
This study investigated the production of poly(3-hydroxybutyrate) (PHB) using mixed microbial cultures (MMCs) with lignocellulosic hydrolysates as a carbon source. Single-factor experiments were conducted to examine the effects of substrate concentration, C/N ratio, and pH on PHB synthesis. The highest PHB yield (612.35 mg/L) was achieved at a substrate concentration of 1700 mg/L (R1700), with an effective C/N ratio of approximately 31 and pH 7.0. Nitrogen limitation and neutral pH were favorable for PHB production. Microbial community analysis via 16S rDNA sequencing revealed Chryseobacterium as the dominant genus in all reactors. These findings provide insights into the efficient conversion of waste lignocellulose into biodegradable PHB using MMCs. Full article
(This article belongs to the Special Issue Production of Added-Value Metabolites Through Microbial Fermentation)
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31 pages, 6619 KB  
Article
Anti-Inflammatory Evaluation of Pyrazino[2,1-b]quinazoline-3,6-dione Derivatives Inspired by Fiscalin B
by Márcia S. Martins, Madalena M. M. Pinto, Isabel F. Almeida, Maria T. Cruz and Emília Sousa
Pharmaceuticals 2026, 19(5), 775; https://doi.org/10.3390/ph19050775 - 15 May 2026
Viewed by 149
Abstract
Background/Objectives: Chronic inflammatory skin diseases are frequently associated with pruritus, in which the neurokinin-1 receptor (NK1R) and its ligand substance P (SP) play a central role. The development of compounds combining anti-inflammatory and antipruritic effects represents a promising therapeutic strategy. This [...] Read more.
Background/Objectives: Chronic inflammatory skin diseases are frequently associated with pruritus, in which the neurokinin-1 receptor (NK1R) and its ligand substance P (SP) play a central role. The development of compounds combining anti-inflammatory and antipruritic effects represents a promising therapeutic strategy. This study aims to identify fiscalin B derivatives as anti-inflammatory agents with high affinity to NK1R using an integrated in silico and in vitro approach. Methods: A library of fiscalin B derivatives was screened through molecular docking against NK1R to identify high-affinity ligands. Selected compounds were further evaluated using in silico ADMET and toxicity predictions. In vitro assays were conducted in HaCaT keratinocytes, RAW264.7 macrophages, and NIH/3T3 fibroblasts to assess cytotoxicity, nitric oxide production, inflammatory proteins expression, and cell migration. Results: Docking studies identified several derivatives with predicted binding affinities comparable to or exceeding those of aprepitant, a well-established NK1R antagonist. Several compounds, particularly 2, 3, 4, 6, and 7, reduced lipopolysaccharide-induced nitric oxide production to 41–51% without relevant cytotoxicity. This effect was associated with reduced iNOS protein levels, suggesting modulation of inflammatory pathways rather than direct nitric oxide scavenging. Most compounds showed positive safety profiles, although in silico analysis indicated limited biodegradability and potential aquatic toxicity. Conclusions: The fiscalin B derivatives, 2, 3, and 4, demonstrate potential as anti-inflammatory agents, in vitro, and as NK1R high affinity ligands, in silico. These findings support their potential as lead compounds for topical therapies for inflammatory skin disorders associated with pruritus, although further optimization and validation are required. Full article
(This article belongs to the Section Medicinal Chemistry)
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19 pages, 2528 KB  
Article
AI-Based Polymer Classification Using Ensemble Deep Learning and Heuristic Optimization: Implications for Recycling Applications
by Mohammad Anwar Parvez
Polymers 2026, 18(10), 1208; https://doi.org/10.3390/polym18101208 - 15 May 2026
Viewed by 305
Abstract
Polymer-based product use is rapidly increasing worldwide, resulting in critical social, environmental, ecological, economic, and health effects. Worldwide efforts have increasingly focused on solutions to the equilibrium consumption, production, and disposal of plastics to tackle these issues. The frontiers of biodegradable and bio-based [...] Read more.
Polymer-based product use is rapidly increasing worldwide, resulting in critical social, environmental, ecological, economic, and health effects. Worldwide efforts have increasingly focused on solutions to the equilibrium consumption, production, and disposal of plastics to tackle these issues. The frontiers of biodegradable and bio-based polymers are continually advancing in pursuit of sustainability. Therefore, designing ecological bioplastics made of both biodegradable and bio-based polymers reveals chances to overcome plastic pollution and resource depletion. Polymeric materials are mainly used to manufacture different products at the beginning of their lifespans and which become waste after usage. Numerous sustainability strategies and polymer recycling methods are described and mostly classified into chemical, mechanical, and thermal recycling processes. This manuscript presents a New Polymers Frontier in Recycling and Sustainability Using an Ensemble of Deep Learning with a Heuristic Search Algorithm (NPFRS-EDLHSA). This work is devoted to computational polymer typology, which is based on machine learning algorithms applied to data on physicochemical properties. Although polymer classification can facilitate downstream materials research, the present study does not directly simulate recycling, environmental impacts, or sustainability. The main contributions made by this work include (i) an exploratory analysis of ensemble deep learning models to classify polymers by type on a small and unbalanced dataset; (ii) an evaluation of the effect of feature selection with a heuristic optimization methodology; and (iii) a comparison of the effects on classification performance under limited data conditions. This research sets out to provide a methodological explanation, not arguments for industrial-scale applicability. For the polymer-type classification process, the proposed NPFRS-EDLHSA model designs an ensemble of deep learning techniques, namely a bidirectional recurrent neural network (BiRNN) model, a bidirectional gated recurrent unit (BiGRU) method, and a graph autoencoder (GAE) technique. Finally, the grasshopper optimization algorithm (GOA) adjusts the hyperparameter values of the ensemble models optimally and results in an improved classification performance. A wide-ranging set of experiments was conducted to validate the performance of the NPFRS-EDLHSA method. The experimental results indicated that the NPFRS-EDLHSA technique achieved a better performance than an existing model. Full article
(This article belongs to the Special Issue Artificial Intelligence in Polymers)
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15 pages, 3506 KB  
Article
Site-Directed Immobilization of DuraPETase onto PET-Binding PDA@SiO2 for High-Efficiency PET Degradation
by Zixuan Li, Fengyuan Zhang, Shaolei Zhao, Mingbo Sun, Jingru Liu, Yan Xie and Shucai Zhang
Molecules 2026, 31(10), 1675; https://doi.org/10.3390/molecules31101675 - 15 May 2026
Viewed by 204
Abstract
Plastic pollution caused by poly(ethylene terephthalate) (PET) highlights the urgent need for efficient biodegradation strategies. However, PET hydrolases such as DuraPETase typically exhibit limited substrate affinity for PET and insufficient operational stability. Although conventional immobilization improves enzyme stability, it often compromises catalytic activity. [...] Read more.
Plastic pollution caused by poly(ethylene terephthalate) (PET) highlights the urgent need for efficient biodegradation strategies. However, PET hydrolases such as DuraPETase typically exhibit limited substrate affinity for PET and insufficient operational stability. Although conventional immobilization improves enzyme stability, it often compromises catalytic activity. Here, we design a PET-targeting, orientation-controlled immobilization strategy that overcomes this traditional trade-off and enables efficient PET biodegradation. Guided by rational structural analysis, three Cys variants (R53C, R59C, R224C) were engineered for site-specific covalent attachment to a PDA@SiO2 support with inherent PET-binding capability. The resulting conjugates (DuraR53C-PDA@SiO2, DuraR59C-PDA@SiO2, and DuraR224C-PDA@SiO2) displayed distinct catalytic and stability profiles. Among them, DuraR59C-PDA@SiO2 achieved the optimal balance between activity and stability, retaining kinetic properties comparable to the free enzyme and maintaining 87.6% residual activity after 2 h at 80 °C. Water contact angle measurements confirmed its PET-targeting behavior, as evidenced by the reduction in the PET contact angle from 85° to 45°. In 10-day degradation assays at 50 °C, DuraR59C-PDA@SiO2 released a total of 4865.32 μM degradation products, representing a 2.37-fold increase relative to free DuraPETase. These findings demonstrate an effective strategy for industrial enzymatic PET degradation and recycling. Full article
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