jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sabina Kolbl Repinc | Blaž Stres | Mirica Karlovits | Igor Karlovits | Petra Jerič | Ondrej Panák | Anja Verbič | Blaž Likozar | Uroš Novak
Source: FEBS Open Bio (review, 2025-12-12)
Field: Materials Science — Biomaterials

Understanding bio‐based polymers: A study of origins, properties, biodegradation and their impact on health and the environment A growing demand for sustainable materials across various industries has sparked an increasing interest in bio-based polymers as eco-friendly alternatives to conventional fossil-based polymers. Sourced from renewable materials, bio-based polymers offer significant advantages, such as biocompatibility, the ability to modify their functional properties for specific applications and, increasingly sought after, the capability for biodegradation. This review article provides an overview of bio-based polymer sources, discussing their unique functional properties, environmental impact and potential for end-of-life options, such as composting and anaerobic digestion. It highlights the importance of ensuring human health and environmental hazard assessment, by incorporating principles like a Safe and Sustainable by Design (SSbD) approach and assessing the product's life cycle (LCA). The dual role of the anaerobic digestion of biodegradable polymers and its potential for methane generation is reviewed, emphasising its contribution to reducing environmental impact and renewable energy production through waste management. Lastly, possibilities of applications in different industries and future market trends are reviewed. By integrating current knowledge, this review highlights the potential of bio-based polymers in advancing sustainability across various sectors, while addressing key existing challenges and future opportunities in their development, production, and application across various sectors, while addressing key existing challenges and future opportunities in their development, production and application. Sustainability ; Renewable energy ; Life-cycle assessment ; Anaerobic digestion ; Human health ; Production (economics) ; Environmental impact assessment ; Hazard biodegradable polymer synthesis and properties ; Anaerobic Digestion and Biogas Production ; Microplastics and Plastic Pollution
Authors: Jiahao Huang | Shixian Zhang | Qing Wang | Lei Zhu
Source: Frontiers in Materials (article, 2025-12-03)
Field: Materials Science — Polymers and Plastics

Synthesis and induction heating-induced self-healing of epoxy vitrimer nanocomposites Epoxy vitrimers have attracted significant research attention due to their reprocessability, malleability, and potential self-healing capability. In this study, we successfully synthesized two vitrimers based on a bulky diepoxide monomer, 9,9-bis(4-glycidyloxyphenyl)fluorene (DGBPEF) and zinc catalysts. When DGBPEF reacted with flexible Pripol 1040, a soft vitrimer with a glass transition temperature (T g ) of 45 °C and a topology freezing transition temperature (T v ) of 207 °C was obtained. When DGBPEF reacted with glutaric anhydride, a hard vitrimer with a T g of 166 °C and a T v of 235 °C was obtained. While both samples exhibited good reprocessability upon hot-pressing around T v , their surface scratches could not self-heal autonomously without applying pressure. Surface-functionalized superparamagnetic γ-Fe 2 O 3 nanoparticles (∼20 nm) were dispersed into the soft vitrimer matrix to prepare nanocomposites. At a nanoparticle loading of 5 wt%, the application of an oscillating magnetic field induced rapid induction heating, raising the nanocomposite temperature to 240 °C–250 °C (well above the T v ) within 5–10 min, which enabled effective autonomous self-healing of surface scratches. In contrast, no self-healing was observed when the nanocomposite was directly heated in a vacuum oven at 240 °C. This difference is attributed to the possible migration of γ-Fe 2 O 3 nanoparticles toward the crack site under an oscillating magnetic field, which enhances localized heating and triggers the autonomous self-healing response. Nanocomposite ; Epoxy ; Superparamagnetism ; Nanoparticle ; Glass transition ; Polymer Polymer composites and self-healing ; Liquid Crystal Research Advancements ; Flame retardant materials and properties
Authors: Brandom J. Cid | Srihari M. Kastuar | Anthony C. Iloanya | Srinivas Rangarajan | Chinedu E. Ekuma
Source: npj 2D Materials and Applications (article, 2025-09-24)
Field: Materials Science — Materials Chemistry

Ab initio elucidation of PTCDA intercalation mechanism in MoS2 bilayer First-principles calculations are employed to investigate the electronic structure of PTCDA intercalated MoS2. Thermodynamic analysis reveals that the vertically stacked flat intercalation of multiple (≥ 2) PTCDA molecules induces the experimentally observed interlayer expansion. Charge transfer analysis confirms n-type doping, enhancing electron mobility by >25%. These results highlight the potential of intercalating 2D materials with organic semiconductors for FET applications and underscore the complexity of resulting structures. Intercalation (chemistry) ; Ab initio ; Bilayer ; Molecule ; Ab initio quantum chemistry methods ; Charge (physics) ; Organic semiconductor ; Mechanism (biology) 2D Materials and Applications ; Graphene research and applications ; Physics of Superconductivity and Magnetism
Authors: Chien-Chun Cheng | Wenjiang Ding | Junfeng Shen | Pu Liao | Chengrong Yu | Bin Miao | Yexin Zhou | Hui Li | Hongying Zhang | Zheng Zhong
Source: Processes (article, 2025-10-08)
Field: Materials Science — Materials Chemistry

Multi-Physics Coupling Simulation of H2O–CO2 Co-Electrolysis Using Flat Tubular Solid Oxide Electrolysis Cells Solid oxide electrolysis cells (SOECs) have emerged as a promising technology for efficient energy storage and CO2 utilization via H2O–CO2 co-electrolysis. While most previous studies focused on planar or tubular configurations, this work investigated a novel flat, tubular SOEC design using a comprehensive 3D multi-physics model developed in COMSOL Multiphysics 5.6. This model integrates charge transfer, gas flow, heat transfer, chemical/electrochemical reactions, and structural mechanics to analyze operational behavior and thermo-mechanical stress under different voltages and pressures. Simulation results indicate that increasing operating voltage leads to significant temperature and current density inhomogeneity. Furthermore, elevated pressure improves electrochemical performance, possibly due to increased reactant concentrations and reduced mass transfer limitations; however, it also increases temperature gradients and the maximum first principal stress. These findings underscore that the design and optimization of flat tubular SOECs in H2O–CO2 co-electrolysis should take the trade-off between performance and durability into consideration. Multiphysics ; Electrolysis ; Oxide ; Coupling (piping) ; Work (physics) ; Voltage ; Current (fluid) ; Durability Advancements in Solid Oxide Fuel Cells ; Catalysis and Oxidation Reactions ; Chemical Looping and Thermochemical Processes
Authors: Shunqi Mei | Jia Chen | Bin Xu | Hu Zekui | Fu Guojun | Du Xiongxing | Quan Zheng | Xu Qiao | Zhen Chen | Zhiming Zhang
Source: Advanced Materials & Sustainable Manufacturing (article, 2025-01-01)
Field: Materials Science — Polymers and Plastics

Advances in Recycling and Reuse Technologies for Textile Fiber Material Products Global industrialization and rising living standards have driven widespread adoption of fiber materials. However, the rapid growth of the textile industry has also caused substantial resource depletion and environmental pollution. Each year, over 92 million tons of textile waste are generated worldwide, most of which is landfilled or incinerated, while only a small proportion is recycled. This paper systematically reviews the latest advancements in the recycling and reuse of fiber-based products, focusing on mechanical, chemical, and biological recycling technologies and the reapplication of recycled fibers. Mechanical recycling is a mature and cost-effective process, but it results in reduced fiber quality. Chemical recycling can produce high-purity raw materials, yielding regenerated fibers with properties close to virgin fibers, but the process is complex and energy-intensive. Biological recycling operates under mild conditions with low energy consumption but is limited by low efficiency and long reaction times. This paper also explores the applications of recycled fibers in regenerated apparel, automotive textiles, construction materials, medical supplies, and eco-friendly filtration materials. Fiber recycling technologies should advance toward greener, more innovative, and circular economy-oriented approaches. Technological innovation, industrial collaboration, and policy guidance can significantly enhance the resource utilization of textile waste. Reuse ; Textile ; Raw material ; Fiber ; Resource (disambiguation) ; Textile industry ; Energy consumption ; Resource recovery ; Process (computing) Textile materials and evaluations
Authors: Marcella Balordi | Andrea Cammi | Alessandro Casali | Francesco Pini | Giorgio Santucci de Magistris
Source: Coatings (article, 2025-11-14)
Field: Materials Science — Surfaces, Coatings and Films

On the Hydrophobicity, Superhydrophobicity and Icephobicity of Etched Aluminum Surfaces Several hydrophobic and superhydrophobic aluminum surfaces were prepared with a three-step process that includes chemical etching, a treatment in hot water and a further coating with fluoroalkysiloxane (FAS). By varying the concentration of the etchant, the immersion time in the etchant and the boiling time, surfaces characterized by different roughness were obtained, with a wettability ranging from hydrophobic to superhydrophobic values. The icephobic properties were tested and the results reveal important differences among the samples, related to the roughness of the surface and the etching and boiling treatment processes. Wetting ; Superhydrophobic coating ; Boiling ; Aluminium ; Surface roughness ; Contact angle ; Coating Surface Modification and Superhydrophobicity ; Fluid Dynamics and Thin Films ; Electrowetting and Microfluidic Technologies
Authors: Mikhail K. Tatmyshevskiy | Georgy A. Ermolaev | Dmitriy V. Grudinin | Aleksandr S. Slavich | Nikolay V. Pak | Marwa A. El‐Sayed | Alexander Melentev | Elena Zhukova | Roman I. Romanov | Dmitry I. Yakubovsky | Andrey A. Vyshnevyy | Sergey M. Novikov | Aleksey V. Arsenin | Valentyn S. Volkov
Source: Nanophotonics (article, 2025-12-01)
Field: Materials Science — Materials Chemistry

Bridging the scalability gap in van der Waals light guiding with high refractive index MoTe <sub>2</sub> van der Waals transition metal dichalcogenides, distinguished by a high refractive index and giant optical anisotropy, are promising materials for integrated photonic devices. However, their superior optical properties are nowadays limited to exfoliated samples with only a micrometer scale, whereas industrial integration requires at least cm-scale dimensions. Here, we resolve this problem for MoTe<sub>2</sub> by demonstrating that chemical vapor deposition synthesis can provide an identical optical response to the benchmark exfoliated samples in a broad spectral range (250-5,000 nm). It allows us to show high-performance waveguiding properties of MoTe<sub>2</sub> with a subwavelength footprint of ∼<i>λ</i>/8 for telecommunication wavelengths. Therefore, our findings reveal MoTe<sub>2</sub> as an ideal platform for the next-generation nanophotonics. van der Waals force ; Refractive index ; Chemical vapor deposition ; Bridging (networking) ; High-refractive-index polymer ; Photonics ; Nanomaterials ; Scalability 2D Materials and Applications ; Thermal properties of materials ; Graphene research and applications
Authors: Bogdan-Florin Craciun | Denisse-Iulia Bostiog | Adina Coroabǎ | N Simiónescu | Andreea-Isabela Sandu | Ioan‐Andrei Dascălu | Narcisa Marangoci | Mariana Pinteală | Conchi O. Ania
Source: Journal of Colloid and Interface Science (article, 2025-10-07)
Field: Materials Science — Materials Chemistry

Green-emitting carbon dots from Protocatechuic acid and branched PEI: A multifunctional platform for bioimaging and gene delivery Photobleaching ; Gene delivery ; HeLa ; Zeta potential ; Fluorescence ; Transfection ; Surface charge ; Photoluminescence ; Carbon fibers Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Quantum Dots Synthesis And Properties
Authors: Sameena Hassan | Afshan Ayaz | A. Omer Nawaz | S. K. Khalil | Saad Maqsood | Sajjad Athar | Abdel Hussein Rasheed | Sania Saeed | Samrah Shams | Hafiz Muhammad Sultan
Source: Journal of Urologic Oncology (review, 2025-07-30)
Field: Materials Science — Biomaterials

Smart Nanocarriers as an Emerging Platform in Urologic Cancer Immunotherapy: A Review on Clinical Insights and Applications A new generation of smart nanocarriers offers excellent safety, efficiency, and targeted drug delivery for cancer immunotherapy. Conventional cancer treatments, such as radiation and chemotherapy, are often associated with severe systemic toxicity and extensive collateral damage to healthy tissues. In contrast, the enhanced permeability and retention effect and active targeting mechanisms of certain nanocarriers, such as liposomes, dendrimers, polymeric nanoparticles, and lipid-based systems, enable precise drug delivery. Therapeutic agents can be encapsulated within nanoscale delivery systems, protected from early degradation, and released in response to specific signals within the tumor microenvironment, such as changes in pH or enzyme concentrations. Targeting accuracy is further improved through surface modifications, including ligands, antibodies, or aptamers, which facilitate intracellular uptake and mitigate off-target effects. Additionally, the wide variety of nanocarrier structures available—from polymersomes and micelles to nanospheres and nanocapsules—allows customized applications tailored to different cancer types and stages. Current research highlights the potential for immunomodulatory drugs loaded into nanocarriers to enhance antitumor immunity and overcome mechanisms of immunoresistance. This review discusses the classification, processes, and biological applications of smart nanocarriers, with particular emphasis on how they can advance cancer immunotherapy by addressing challenges related to drug loading, targeted delivery, and biocompatibility. Nanocarriers ; Immunotherapy ; Medicine ; Cancer immunotherapy ; Cancer ; Medical physics ; Internal medicine ; Pharmacology Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Immunotherapy and Immune Responses
Authors: Sean A. Roget | Wade C. Henke | Maxwell Taub | Pyosang Kim | Jonathan T. Yarranton | Xiaosong Li | Karen L. Mulfort | Lin X. Chen
Source: Photochem (article, 2025-06-19)
Field: Chemistry — Physical and Theoretical Chemistry

Tracking Photoinduced Charge Redistribution in a Cu(I) Diimine Donor–Bridge–Acceptor System with Time-Resolved Infrared Spectroscopy Understanding electron density migration along excited-state pathways in photochemical systems is critical for optimizing solar energy conversion processes. In this study, we investigate photoinduced electron transfer (PET) in a covalently linked donor–bridge–acceptor (D-B-A) system, where [Cu(I)-bis(1,10-phenanthroline)]+ acts as an electron donor, and anthraquinone, tethered to one of the phenanthroline ligands via a vibrationally active ethyne bridge, behaves as an electron acceptor. Visible transient absorption spectroscopy revealed the dynamic processes occurring in the excited state, including PET to the acceptor species. This was indicated by the spectral features of the anthraquinone radical anion that appeared on a timescale of 30 ps in polar solvents. Time-resolved infrared (TRIR) spectroscopy of the alkyne vibration (CC stretch) of the ethyne bridge provided insight into electronic structural changes in the metal-to-ligand charge transfer (MLCT) state and along the PET reaction coordinate. The observed spectral shift and enhanced transition dipole moment of the CC stretch demonstrated that there was already partial delocalization to the anthraquinone acceptor following MLCT excitation, verified by DFT calculations. An additional excited-state TRIR signal unrelated to the vibrational mode highlighted delocalization between the phenanthroline ligands in the MLCT state. This signal decayed and the CC stretch narrowed and shifted towards the ground-state frequency following PET, indicating a degree of localization onto the acceptor species. This study experimentally elucidates charge redistribution during PET in a Cu(I) diimine D-B-A system, yielding important information on the ligand design for optimizing PET reactions. Delocalized electron ; Photochemistry ; Acceptor ; Excited state ; Chemistry ; Spectroscopy ; Photoinduced electron transfer ; Electron donor ; Electron acceptor ; Diimine ; Electron transfer ; Atomic physics Photochemistry and Electron Transfer Studies ; Electrochemical Analysis and Applications ; Metal-Catalyzed Oxygenation Mechanisms
Authors: Doina Dimonie | Silvia Mathe | Roxana Truşcă | Celina Maria Damian | Maria Rapa | Ştefan‐Ovidiu Dima | Ştefan Dumitru | Florin Oancea
Source: Polymers (article, 2025-12-25)
Field: Materials Science — Biomaterials

The Influence of Miscibility of Some PLA-Based Bio-Hybrids Designed for 3D Printing and Medium-Life Applications on Their Physical Aging and Thermodynamic Stability The aim of this article was to identify the dependence of the physical aging of PLA-talc-PCL bio-hybrids, with or without a nucleating agent (NA), produced by melt compounding and designed for 3D printing for medium-life applications, on the degree of miscibility, and to identify a formulation with a heat deformation temperature (HDT) of practical interest and thermodynamical stability for at least two years. The obtained bio-hybrids were characterized to illustrate their miscibility and long-term thermodynamic stability, both initially and after two years. The preservation of properties over time was analyzed by examining the observed physical aging, since its can be associated with changes incompatible with 3D-printed items used as structural automative components. Without using NA, two partially miscible bio-hybrids with multiphase, polymorphic morphology were achieved, which showed strong physical aging and thermodynamic instability over two years. The use of NA led to a bio-hybrid with a relatively narrow single melting peak, which showed good miscibility, without physical aging or thermodynamic instability over the two-year period. The morpho-structural and functional characterization of the selected formulation will be further investigated and possibly corrected, to advance to the next level of scale-up. Miscibility ; Characterization (materials science) ; Chemical stability ; Melting temperature ; Material properties ; Compounding ; Stability (learning theory) ; Instability biodegradable polymer synthesis and properties ; Additive Manufacturing and 3D Printing Technologies ; Polymer Foaming and Composites
Authors: Abdullah A. Aseeri | Fadhil Faez Sead | Farag M. A. Altalbawy | Nashwa M. Yousif | Ahmed Salih Sahib | Zahraa Saad Abdulali | Mariem Alwan | Mahmood Jasem Jawad | Hiba Mushtaq | Aseel Smerat
Source: Frontiers in Chemistry (article, 2025-08-22)
Field: Chemistry — Inorganic Chemistry

Design of a scandium-integrated MOF hybrid hydrogel for simultaneous dye adsorption and antibacterial activity In this study, a novel hybrid hydrogel incorporating a scandium-based metal-organic framework (scandium-integrated MOF-hydrogel hybrid) was developed using scandium nitrate, 1,4-naphthalenedicarboxylic acid, oxidized pectin, and chitosan. The synthesized scandium-integrated MOF-hydrogel hybrid demonstrated remarkable dual-functionality in both the adsorption of hazardous dye pollutants and the inhibition of pathogenic bacteria commonly found in wastewater. Characterization of the scandium-integrated MOF-hydrogel hybrid was performed using FT-IR, XRD, SEM, EDAX, CHNO elemental, BET, and XPS analyses, confirming successful MOF integration and a porous, reactive surface. Adsorption experiments showed significant uptake capacities for phenol red and Congo red dyes, reaching up to 40 mg and 60 mg under different physicochemical conditions, including variations in pH, temperature, adsorbent dose, and contact time. Antibacterial assessments against four wastewater-derived bacterial strains revealed minimum inhibitory concentrations ranging from 2 to 64 μg/mL and minimum bactericidal concentrations from 4 to 128 μg/mL. These results highlight the hydrogel's potential as a multifunctional material for simultaneous pollutant removal and microbial decontamination in wastewater treatment systems. Scandium ; Adsorption ; Chemical engineering ; Antibacterial activity ; Materials science ; Chemistry ; Nuclear chemistry ; Inorganic chemistry ; Organic chemistry ; Bacteria Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Adsorption and biosorption for pollutant removal
Authors: Khadra B. Alomari | Abdulmajeed F. Alrefaei | Renad Almughathawi | Nuha M. Halawani | Sara A. Alqarni | Arwa Alharbi | Hanadi A. Katouah | Nashwa M. El‐Metwaly
Source: Chemical Biology & Drug Design (article, 2025-02-01)
Field: Chemistry — Organic Chemistry

New Benzothiazole‐Thiadiazole‐Based Ketones as Potential Antiviral and Anticancer Agents: Synthesis, <scp>DFT,</scp> and Molecular Docking Studies Various substituted benzothiazole-thiadiazole-based ketones 4a-i and 6a-c were synthesized and characterized by the IR, NMR, and MS spectral data. The DFT study of the synthesized ketones 4 and 6 displayed matched configurations of their HOMO and LUMO, with the exception of the nitrophenyl derivatives, whose HOMO extended over the entire molecule. Meanwhile, the antiproliferative effectiveness of the produced ketones was evaluated against diverse cell lines and compared with the reference drug Erlotinib. The ketones exhibited variable inhibitory effects, for example, the ketone 6a has the most potent activity versus Panc-1 (IC<sub>50</sub> = 9.34 ± 0.18 μM), whereas 4i showed proper effectiveness against HepG2 (IC<sub>50</sub> = 10.91 ± 0.23 μM), and ketone 4a exhibited strong activity against MCF-7 cells (IC<sub>50</sub> = 5.66 ± 0.16 μM). Moreover, the H5N1 antiviral efficacy was assessed via a plaque reduction assay, using amantadine as a reference drug. Ketones 2a, 4e, and 4g displayed 100% inhibition, while ketone 4e has the lowest toxic concentration (TC<sub>50</sub> 61 μg/μL). Furthermore, the molecular docking results revealed that ketone 4e had the highest binding score owing to several interactions with amino acids of 1JU6 residues. Finally, SwissADME analysis of the synthesized ketones provides key insights into their pharmacokinetic properties. Benzothiazole ; Docking (animal) ; Chemistry ; Combinatorial chemistry ; Stereochemistry ; Biochemistry ; Medicine Synthesis and biological activity ; Synthesis and Biological Evaluation ; Structural and Chemical Analysis of Organic and Inorganic Compounds