jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Korakot Charoensri | Dae Hyeon Kwon | Hong Seok Kim | Intatch Hongrattanavichit | Yang Jai Shin | Hyun Jin Park
Source: Polymers (article, 2026-01-19)
Field: Materials Science — Biomaterials

Process-Controlled Functional Polymer Films on Paper: Oxygen Barrier and Antimicrobial Performance of PVA–Amylose Coatings The development of functional polymer films on porous paper substrates is inherently constrained by substrate-induced defects that hinder film continuity and barrier performance. In this study, process-controlled amylose-Poly(Vinyl alcohol) (PVA) coatings incorporating ZnO nanoparticles (ZnO NPs) were fabricated via aqueous deposition to investigate the process-structure-property relationship governing oxygen barrier behavior on paper. The moisture resistance of the coating was also evaluated. Single-layer coatings exhibited severe barrier failure due to insufficient film formation and pervasive pinhole defects. In contrast, systematic multi-layer deposition enabled the formation of continuous polymer films. A pronounced non-linear reduction in oxygen transmission rate was observed once the dry coating thickness exceeded approximately 5 µm. Under these conditions, the oxygen transmission rate decreased to approximately 15 cc/m<sup>2</sup>·day·atm at 20 °C and 65% relative humidity. This transition was correlated with the elimination of substrate-induced defects, as confirmed by morphological analysis. In addition to enhanced barrier performance, ZnO NP-loaded coatings demonstrated strong and broad-spectrum antimicrobial activity against both <i>Escherichia coli</i> and <i>Staphylococcus aureus</i>, indicating their multifunctional potential for active packaging applications. Supporting evaluations further indicated adequate mechanical flexibility and high repulpability, highlighting the suitability of the coating for sustainable paper-based packaging. Overall, this work identifies a quantitative critical film thickness that serves as process-specific design guideline for engineering high-performance functional polymer coatings on porous paper substrates. Coating ; Polymer ; Porosity ; Oxygen ; Deposition (geology) ; Polyurethane ; Aqueous solution Nanocomposite Films for Food Packaging ; Material Properties and Processing ; Polymer Science and PVC
Authors: L Zhang | Mengxia Chen | Zhen Chen | Sunfei Chen | Shasha Duan | Shuqi Lou | Hongsheng Wang
Source: Frontiers in Bioengineering and Biotechnology (article, 2026-02-04)
Field: Materials Science — Biomaterials

A green-electrospun nanofibrous scaffold incorporating polyethylenimine-modified liposomes for sustained BMP2 gene delivery and enhanced osteogenic differentiation The novel composite scaffold combines the structural advantages of SF with a sustained BMP2 gene delivery system, showing remarkable potential to promote osteogenic differentiation. This work presents a promising, environmentally friendly, and effective platform for bone tissue engineering and regenerative medicine. Bone morphogenetic protein 2 ; Scaffold ; Gene delivery ; Tissue engineering ; Liposome ; Regenerative medicine ; Delivery system Silk-based biomaterials and applications ; Electrospun Nanofibers in Biomedical Applications ; Bone Tissue Engineering Materials
Authors: Muhammad Uzair Riaz | Cornelia Breitkopf
Source: Recent Progress in Science and Engineering (article, 2026-03-09)
Field: Materials Science — Materials Chemistry

Investigating Interfacial Thermal Resistance and Effective Thermal Conductivity in Epoxidized Natural Rubber Composites Effective thermal management in polymeric materials still represents a considerable challenge for emerging applications, such as wearable electronics, soft robotics, and sustainable composite systems, wherein flexibility and environmental compatibility are of utmost importance. This research utilizes non-equilibrium molecular dynamics (NEMD) simulations to examine interfacial thermal resistance (ITR) and effective thermal conductivity (&lt;em&gt;k&lt;sub&gt;eff&lt;/sub&gt;&lt;/em&gt;) in bio-based PBS-ENR-PBS trilayer systems. Two varieties of epoxidized natural rubber, ENR-25 and ENR-50, with varying epoxide concentrations, are analyzed to clarify the influence of interfacial polarity and chemical reactivity. Interfacial heat transmission is systematically adjusted by including covalent transesterification crosslinks at the PBS-ENR interface, with concentrations ranging from 0 to 50%. Steady-state temperature profiles, heat fluxes, and density-based interface detection are employed to quantify layer-specific conductivities, interfacial temperature discontinuities, and total thermal resistance. The findings indicate that moderate crosslinking significantly improves interfacial phonon coupling and diminishes ITR in ENR-25 systems, but excessive crosslinking results in saturation due to constrained chain mobility. Conversely, ENR-50 demonstrates a faster onset of transport saturation due to its elevated inherent polarity and stiffness. The findings indicate that effective thermal transfer in soft, bio-based polymer interfaces results from a balance of molecular connection and segmental flexibility, offering design principles for thermally efficient elastomeric composites. Thermal conductivity ; Natural rubber ; Elastomer ; Interfacial thermal resistance ; Polymer ; Thermal resistance ; Thermal conduction ; Thermal ; Carbon nanotube Thermal properties of materials ; Polymer Nanocomposites and Properties ; Polymer composites and self-healing
Authors: Pooria Dabbaghi | Juan Maria Garcia Lastra | Piotr de Silva
Source: arXiv (Cornell University) (article, 2026-04-08)
Field: Materials Science — Materials Chemistry

Self-consistent Hessian-level meta-generalized gradient approximation The $\vartheta$-MGGA class of density functionals is formally reformulated as Hessian-level meta-generalized gradient approximations (HL-MGGAs). In contrast to standard meta-GGAs that rely on the orbital-dependent kinetic-energy density or the density Laplacian, HL-MGGAs utilize the full density Hessian. We introduce a simplified, non-empirical functional, $\vartheta$-PBE, and present a roadmap for its self-consistent implementation within the projector augmented-wave (PAW) method. By utilizing the complete set of spatial second-order density derivatives, the functional's underlying descriptor successfully distinguishes between distinct one-electron density limits, such as single-center atomic densities and two-center bonds, that standard iso-orbital indicators often conflate. Benchmarks across molecular and solid-state datasets reveal that while $\vartheta$-PBE delivers accurate chemisorption energies and molecular properties, challenges remain in predicting bulk lattice constants. Ultimately, this work demonstrates the physical utility and feasibility of designing orbital-independent, Hessian-based exchange-correlation functionals. Projector ; Local-density approximation ; Set (abstract data type) ; Lattice (music) ; Work (physics) ; Class (philosophy) ; Density estimation ; Minification Machine Learning in Materials Science ; Advanced Chemical Physics Studies ; Advanced Physical and Chemical Molecular Interactions
Authors: Rosanna Lucignano | Giarita Ferraro
Source: Frontiers in Chemical Biology (article, 2026-01-30)
Field: Materials Science — Biomaterials

Ferritin-metallodrugs nanocomposites: light and shadow of drugs loading methods The employment of metal-based compounds in medicine is an ever-changing topic. Following cisplatin discovery, last decades have seen a huge activity designing new metallodrugs with improved pharmacological profiles able to overcome issues related to administration of cisplatin and its derivatives. Despite promising features, metallodrugs entrance into clinical practice is hampered by a series of deficiencies including poor solubility and general toxicity, always coupled with lack of selectivity. Problems associated with the use of conventional drug therapy could be addressed through the development of carrier biomaterials able to ensure drug safe and targeted delivery to specific sites. Proteins have been widely explored for this purpose and ferritin, a protein with a hollow cage structure, represents the ideal candidate. This mini-review aims to summarize the studies investigating the use of ferritin-based formulations for the delivery of metal compounds of medical interest highlighting strength points and weaknesses of this potential nanocarrier. Drug delivery ; Drug ; Medical practice ; Clinical Practice ; Food and drug administration ; Shadow (psychology) ; Ideal (ethics) Nanoparticle-Based Drug Delivery ; Iron Metabolism and Disorders ; Plant Micronutrient Interactions and Effects
Authors: Sutan lazrisyah | Nusyirwan Nusyirwan | Rispandi | Jhonni Rahman | Ilhamdi | Haznam Putra
Source: Journal of Physics Conference Series (article, 2026-03-01)
Field: Materials Science — Polymers and Plastics

Mechanical strength study of polyester blend vinyl ester composite material reinforced by empty oil palm fruit bunch fibers as raw material for vehicle bumpers Abstract The use of polymer materials as matrices for manufacturing composite materials is employed in various technological applications, including vehicle bodies. The advantages of polymer materials include lightness and moisture resistance; however, this material still exhibits low mechanical strength. To increase its mechanical strength, it is necessary to combine it with reinforcing materials derived from natural fibers or synthetic fibers. One way is to strengthen it with empty palm oil signs. After researching composite materials made from mixed polymer materials of polyester polymers with vinyl esters reinforced with palm oil bunch fibers, an increase in flexural strength of 183.34 N was observed, whereas for mixed polyester and vinyl ester matrices without palm oil bunch fibers or pure matrix polymers, the increase was only 138.33 N, this increase occurred in the mixed polyester and vinyl ester polymer matrix, comprising 85 wt% and palm oil bunch fibers at 15 wt%, with an average of 183.34 N compared to pure polyester, which was only 138.33 N, representing an increase of 132.54%. Furthermore, the test results show that the maximum flexural stress value for each matrix material of polyester and vinyl ester polymer mixture and oil palm bunch fibers (FPO) can increase the maximum flexural stress value of pure polyester and vinyl ester mixture polymer without reinforcing fibers from oil palm bunch fibers by 83.092 MPa, while with the addition of oil palm bunch fibers up to 15% by weight can increase the flexural stress value of the material up to 110.086 MPa. The addition of oil palm bunch fibers to the polymer matrix of polyester and vinyl ester mixture by 15% by weight can increase the stress by 132.49%. Polyester ; Vinyl ester ; Flexural strength ; Raw material ; Polymer ; Palm oil ; Composite number ; Polyester resin ; Thermosetting polymer Natural Fiber Reinforced Composites ; Mechanical Engineering and Vibrations Research ; Material Selection and Properties
Authors: Aris Hofmann | Inge Vejsbjerg | Dhaval Salwala | Elizabeth M. Daly
Source: Proceedings of the AAAI Conference on Artificial Intelligence (article, 2026-03-14)
Field: Materials Science — Materials Chemistry

Auto-BenchmarkCard: Automated Synthesis of Benchmark Documentation We present Auto-BenchmarkCard, a workflow for generating validated descriptions of AI benchmarks. Benchmark documentation is often incomplete or inconsistent, making it difficult to interpret and compare benchmarks across tasks or domains. Auto-BenchmarkCard addresses this gap by combining multi-agent data extraction from heterogeneous sources (e.g., Hugging Face, Unitxt, academic papers) with LLM-driven synthesis. A validation phase evaluates factual accuracy through atomic entailment scoring using the FactReasoner tool. This workflow has the potential to promote transparency, comparability, and reusability in AI benchmark reporting, enabling researchers and practitioners to better navigate and evaluate benchmark choices. Benchmark (surveying) ; Workflow ; Documentation ; Data validation ; Reusability ; Model validation ; Data extraction Machine Learning in Materials Science ; Computational and Text Analysis Methods ; Topic Modeling
Authors: Sisem Ektirici | Vagelis Harmandaris | Christos N. Likos | Terpsichori S. Alexiou
Source: ArXiv.org (article, 2026-01-28)
Field: Chemistry — Physical and Theoretical Chemistry

Ion-Modulated Polyelectrolyte Complexation of DNA and Polyacrylic Acid from Molecular Dynamics Simulations The formation of complexes between like-charged polyelectrolytes challenges conventional electrostatic intuition and highlights the central role of ions in mediating macromolecular organization. Here, we investigate the salt-dependent association of DNA with poly(acrylic acid) (PAA) using atomistic molecular dynamics simulations in NaCl, MgCl$_2$, and CaCl$_2$ solutions. A time-resolved state classification scheme, based on heavy-atom distance and hydrogen-bond formation, was applied to distinguish bound and unbound configurations, enabling quantitative analysis of how ion valency modulates complex stability and structure. The results reveal a clear hierarchy of association strength with Ca$^{2+}$ promoting persistent complex formation through direct inner-sphere coordination between DNA phosphates and PAA carboxylates, Mg$^{2+}$ mediating weaker, transient bridging interactions and Na$^+$ exhibiting only electrostatic screening action with negligible bridge formation. Structural analysis shows that multivalent ions not only enhance complex stability but also reshape the molecular organization of both macromolecules. Ca$^{2+}$ induces expansion of DNA and compaction of PAA within a strongly bridged complex characterized by directional alignment and backbone-dominated binding, whereas Mg$^{2+}$ promotes more transient groove associations and Na$^+$ supports flexible, weakly correlated contacts. Our findings provide molecular-level insight into ion-specific mechanisms underlying polyelectrolyte organization and inform the design of responsive biomaterials and nucleic acid-based assemblies in multivalent ionic environments. Polyelectrolyte ; Polyacrylic acid ; Molecular dynamics ; DNA ; Dissipative particle dynamics ; Macromolecule ; Ion ; Ionic bonding ; Static electricity Electrostatics and Colloid Interactions ; Hydrogels: synthesis, properties, applications ; RNA Interference and Gene Delivery
Source: Pakistan Veterinary Journal (article, 2026-01-16)
Field: Materials Science — Surfaces, Coatings and Films

Biodegradable Polycaprolactone/Polyethylene Glycol/Chitosan Intravaginal Implants for Progesterone Delivery: A Preliminary Study on Physicochemical Properties, Release Kinetics, and Biocompatibility The need for sustainable intravaginal drug-delivery systems in veterinary reproduction is increasing day by day.However, most intravaginal devices currently available in the market rely on non-biodegradable polymers.The aim of this study was to develop and evaluate biodegradable progesterone implants composed of polycaprolactone (PCL), polyethylene glycol (PEG) and chitosan.Three formulations (10/72/18, 20/64/16 and 30/56/14% PCL/PEG/chitosan) were fabricated via melt molding and characterized for morphology, mechanical strength, degradation in simulated vaginal fluid (SVF), progesterone release, cytocompatibility, and environmental compost biodegradation.Statistical analysis was conducted using ANOVA followed, by Tukey's post-hoc test to identify significant differences among implant formulations.Implant I (10/72/18% PCL/PEG/chitosan) demonstrated the highest porosity (11.9%;P<0.05), fastest degradation (23% remaining after 10 days of immersion in SVF; P<0.05), and a favourable biphasic progesterone release profile with excellent HeLa cell viability (73% after 24h exposure; P<0.05).Implant II (20/64/16% PCL/PEG/chitosan) showed steady progesterone release, whereas Implant III (30/56/14% PCL/PEG/chitosan) exhibited an initial burst, followed by prolonged retention.In compost, degradation ranged from complete fragmentation (Implant I) to minimal change (Implant III) after 40 days of burial in compost (P<0.05).Preliminary in vivo evaluation in four prepubertal Friesian Holstein cyclic heifers confirmed that Implant I was stable, non-inflammatory, and capable of elevating plasma progesterone levels to physiological levels.In conclusion, PCL/PEG/chitosan-based intravaginal system (10/72/18% PCL/PEG/chitosan) is promising biodegradable platform for controlled veterinary hormone delivery and might have potential applications in estrus synchronization in domestic animals. Biocompatibility ; Biocompatible material ; Implant ; Animal model ; Biomaterial Polymer Surface Interaction Studies ; Menopause: Health Impacts and Treatments ; Advanced Drug Delivery Systems
Authors: Tiexin Li | Zane Datson | Nadim Darwish | Francisco J. Lopez-Ruiz
Source: ACS Omega (article, 2026-03-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Biomolecule Detection Methods Based on Nanoparticle Approaches The analysis of biomolecules using chemical-free techniques such as surface-enhanced Raman spectroscopy (SERS), surface plasmon resonance (SPR), mass spectrometry, chromatographic techniques, fluorescence methods, and electrochemical techniques is widely used for detecting DNA, RNA, and proteins. Nanoparticles have been extensively applied in biomolecule detection owing to their high sensitivity, specificity, rapid detection capabilities, cost-effectiveness, and high throughput. This review specifically focuses on nanoparticle-enabled biomolecular diagnostics for plant and agricultural applications. In this review, we will summarize the advances in DNA, RNA, and protein detection methods that utilize nanoparticles. The progression from techniques like surface-enhanced Raman spectroscopy and surface-enhanced infrared absorption spectroscopy, originally used only for large biomolecule detection without defined detection limits, to methods such as surface plasmon resonance, mass spectrometry, chromatographic techniques, and fluorescence methods, which enable label-free sensing and real-time monitoring of biomolecular interactions with high sensitivity, will be discussed. Biomolecule ; Nanoparticle ; Surface plasmon resonance ; Analyte ; Raman spectroscopy ; Surface-enhanced Raman spectroscopy ; Fluorescence ; Analytical technique Gold and Silver Nanoparticles Synthesis and Applications ; Advanced biosensing and bioanalysis techniques ; Protein Interaction Studies and Fluorescence Analysis
Authors: Xufei Guo | Zirou Chen | Zifeng Huang | Yuxiang Wang | Jinwen Liu | Zhe Cheng
Source: arXiv (Cornell University) (article, 2026-03-07)
Field: Materials Science — Materials Chemistry

High Thermal Conductivity in Back-End-of-Line Compatible AlN Thin Films With thermal issues becoming a major challenge to the development of integrated circuits (ICs), high-thermal-conductivity (high-TC) materials are gaining interest from both the industry and academia, especially for high-density back-end-of-line (BEOL) structures. Aluminum nitride (AlN) is an insulating material with high TC, suitable for thermal management in electronic devices. Furthermore, polycrystalline AlN thin films can be deposited at BEOL-compatible low temperatures (lower than 400 C) while retaining relatively high TC, rendering AlN a promising candidate for BEOL heat dissipation. Still, AlN deposition should aim at achieving high TC on a variety of substrates used in IC processes. In this work, we obtained 600- and 1200-nm BEOL-compatible AlN thin film samples on Si, SiO, SiN, and Al2O3 substrates for structural and thermal characterizations. Specifically, time-domain thermoreflectance (TDTR) measurements revealed consistently high TC (higher than 45 W m-1 K-1) on different substrates. Moreover, finite element analysis (FEA) simulations of AlN capped on top of an indium-tin-oxide (ITO) transistor showed a reduction of up to 44% in peak device temperature. Our work provided experimental and calculational evidence for the practicality of leveraging AlN as a high-TC, BEOL-compatible heat spreader material. Thermal conductivity ; Thin film ; Thermal ; Nitride ; Aluminium ; Crystallite ; Aluminium nitride ; Integrated circuit ; Thermal management of electronic devices and systems Thermal properties of materials ; Silicon Carbide Semiconductor Technologies ; GaN-based semiconductor devices and materials
Authors: Alfonso Alarcón | Nubia C. Moreno | Daniel Pardo-Rodriguez | Mónica P. Cala | Carlos A. M. Riascos
Source: Research Square (preprint, 2026-01-14)
Field: Materials Science — Biomaterials

Multiplatform Metabolomic Analysis Reveals Metabolic Reprogramming of Burkholderia cepacia During Polyhydroxyalkanoate Production from Oleic Acid Metabolomics ; Pentose phosphate pathway ; Burkholderia ; Polyhydroxyalkanoates ; Metabolic engineering ; Metabolic pathway ; Metabolic network ; Metabolic flux analysis ; Fermentation biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Hydrogels: synthesis, properties, applications
Authors: Melania Janisha Devi | Ratu Shifa Syafira | Shabarni Gaffar | Irkham Irkham | Yasuaki Einaga | Yeni Wahyuni Hartati
Source: ADMET & DMPK (article, 2026-04-10)
Field: Materials Science — Materials Chemistry

High-sensitivity electrochemical immunosensor for anti-SARS-CoV-2 IgG detection using screen-printed carbon/cerium oxide-gold electrode Background and purpose: Serological assays are essential for evaluating immune responses, including donor screening, vaccine efficacy, and antibody persistence. However, conventional methods are time-consuming and require centralized laboratories. This study aimed to develop a sensitive and rapid electrochemical immunosensor based on a cerium oxide-gold nanocomposite (CeO₂-Au) modified screen-printed carbon electrode (SPCE) for the detection of anti-SARS-CoV-2 IgG, while elucidating the underlying electrochemical sensing mechanism. Experimental approach: CeO₂-Au nanocomposites were synthesized and characterized using UV-Vis, SEM, TEM-EDX, and FTIR. The immuno­sensor was fabricated by immobilizing SARS-CoV-2 Spike receptor-binding domain (RBD) onto the modified SPCE. Electrochemical responses were evaluated using differential pulse voltammetry (DPV) and electrochemical impedance spectroscopy (EIS) with K₃[Fe(CN)₆] as a redox probe. Key results: The CeO₂-Au nanocomposite enhanced electron transfer and provided a high surface area for biomolecule immobilization. The sensing mechanism is governed by modulation of interfacial electron transfer: binding of IgG to immobilized RBD forms an insulating immunocomplex layer, increasing charge transfer resistance and suppressing faradaic current. The sensor exhibited a wide linear range of 0.01 to 103 ng mL-1, a low detection limit of 2.475 pg mL-1, good stability, and reliable 97.3 to 108.56 % recovery in serum samples. Conclusion: This immunosensor proposed as a sensitive and reliable platform for IgG detection. The study advances understanding of signal transduction mechanisms in nanocomposite-based immunosensors and highlights their potential for rapid serological diagnostics. However, broader clinical validation and selectivity against complex interferents remain necessary. Dielectric spectroscopy ; Detection limit ; Differential pulse voltammetry ; Electrode ; Biomolecule ; Electrochemistry ; Biosensor ; Nanocomposite ; Electron transfer Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques ; Electrochemical sensors and biosensors