jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Morbidini, Riccardo | Edkins, Robert M. | Carrascosa-Tejedor, Javier | Czakkel, Orsolya | Hanafy, Belal I. | Khalaria, Dhaval R. | Seydel, Tilo | Edkins, Katharina
Source: Strathprints: The University of Strathclyde institutional repository (University of Strathclyde) (article, 2026-04-01)
Field: Materials Science — Biomaterials

Comparing microscopic and macroscopic diffusion in drug delivery : a study of small drug and protein dynamics in a supramolecular peptide hydrogel Over recent decades, medicine development has increasingly turned to biologics for their higher efficacy and reduced side effects compared to small molecule drugs. However, the necessity for parenteral administration of these labile compounds poses significant challenges, requiring frequent injections and highlighting the need for sustained release systems to improve patient adherence. Drug delivery vehicles are currently regarded as acting as a diffusion barrier and, particularly supramolecular gels, offer a promising solution to this challenge due to their tunable properties and biocompatibility. This study focuses on diffusion within a peptide supramolecular hydrogel based on the ultra-short Fmoc-diphenylalanine (FmocFF) moiety, exploring its potential as a drug delivery carrier. By examining dynamics at different timescales, we aim to decouple steric and non-steric effects of the fibre network on solute diffusion. Using Quasi-Elastic Neutron Scattering (QENS), we investigate solvent and gel network dynamics, and the picosecond self-diffusion behavior of various drugs to focus solely on hydrodynamic interactions. We further assess bulk diffusion over 12 hours by in vitro release studies using the Subcutaneous Injection Site Simulator (SCISSOR), mimicking possible interactions occurring during drug release. Our results demonstrate that from molecular-level to bulk diffusion, hydrodynamic interactions are mitigated and masked by factors such as steric confinement and surface erosion. This work highlights the necessity for more systematic data to bridge short-time to long-time scale bulk diffusion mechanisms to rationally tune drug release and ultimately design better drug delivery vehicles. Drug delivery ; Supramolecular chemistry ; Diffusion ; Drug ; Steric effects ; Neutron scattering ; Peptide ; Active ingredient ; Molecular dynamics Supramolecular Self-Assembly in Materials ; Hydrogels: synthesis, properties, applications ; Advanced Drug Delivery Systems
Authors: Jun Liu | Bingxin Lu | Jianwei He | Jin Zhai | Xia Fan
Source: ChemNanoMat (article, 2026-01-30)
Field: Chemistry — Inorganic Chemistry

Regulating Activation Energy of Metal–Organic Framework Subnanochannels for High‐Precision Anion Separation Transition state theory effectively describes solute transport in membranes, where molecular‐level mechanisms dictate the energy barriers involved. Based on this theory and insights from natural systems, our study centers on UiO‐66‐NH 2 , a metal–organic framework (MOF) with specific binding sites for fluoride ions, resembling the structural features of biological fluoride ion channels. Using a secondary solvothermal growth method, we fabricate a dense and continuous polycrystalline UiO‐66‐NH 2 membrane on an anodic aluminum oxide substrate. This membrane features subangstrom pores (3.12 and 6.28 Å), which precisely sieve fluoride ions by facilitating selective dehydration and binding. Additionally, the high porosity and surface area of the membrane enhance ion flux while maintaining excellent selectivity. The strong Zr–F interactions within the channel play a pivotal role in reducing the activation energy required for F − transport, resulting in efficient separation compared to other anions, with the F − /SO 4 2− selectivity reaching 169. This work sheds light on the fundamental ion transport mechanisms in subnanochannels and highlights the potential of MOF membranes for advanced ion separation applications. Membrane ; Fluoride ; Ion ; Porosity ; Anode ; Selectivity ; Activation energy ; Anodic Aluminum Oxide Metal-Organic Frameworks: Synthesis and Applications ; Molecular Sensors and Ion Detection ; Chemical Synthesis and Characterization
Authors: Hongyi Liu | Zhen Wang | Xu Wang | Jiayu Chang | Xinfu Hou | Linxuan Li | Mengyuan Liu | X. Z. Zeng | Cai Qi | Qingyu Zhou | Junwei Deng | Chengjin Wu | Sicong Zheng | Zhenyu Li | Mengxi Liu | Wu Zhou | Bo Sun | Luzhao Sun | Zhongfan Liu
Source: Nature Communications (article, 2026-02-28)
Field: Materials Science — Materials Chemistry

Rapid synthesis of micron-thick flexible graphite films via non-equilibrium carbon flux engineering The scalable synthesis of high-quality graphite materials remains a formidable challenge due to the inherent trade-off between crystalline perfection and manufacturing efficiency. Existing forms of graphite, such as highly oriented pyrolytic graphite (HOPG) and Kish graphite, suffer from sluggish pyrolytic processes, limited carbon diffusion rates and energy-intensive protocols, often requiring several days for production. Here, we report a pulsed Joule heating-induced carburization (PJHIC) strategy that exploits transient non-equilibrium states to enable rapid carbon diffusion and segregation in metal substrates. By applying instantaneous thermal shocks ( > 1300 °C, > 300 °C/s heating rate) to solid carbon precursor-coated nickel and cobalt foils, we demonstrate the rapid carbon transport in bulk metals and achieve a vertical graphite growth rate of 730 nm/min, which is an order of magnitude faster than conventional methods. Cyclic temperature pulses further enable the synthesis of 1-5 μm-thick ABA-stacked graphite films with millimeter-scale grain sizes. The resulting rapid epitaxially grown graphite films exhibit a highly ordered crystalline structure and exceptional thermal conductivity (1314 W m<sup>-1</sup> K<sup>-1</sup>), comparable to high-quality HOPG and Kish graphite. This work establishes a non-equilibrium synthesis paradigm for high-quality layered materials, bridging atomic-scale precision with industrial-scale manufacturing. Graphite ; Pyrolytic carbon ; Highly oriented pyrolytic graphite ; Thermal conductivity ; Carbon fibers ; Joule heating ; Diffusion ; Nickel Graphene research and applications ; Thermal properties of materials ; Graphite, nuclear technology, radiation studies
Authors: Kshitija Akarte | Drishti Panjwani | Viral Patel | Asha Patel | Nishabh Kushwaha | Shruti Patel
Source: Saudi Pharmaceutical Journal (article, 2026-03-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Liquid crystalline system for drug delivery: structural insights, preparation techniques and translational potential Liquid Crystals (LCs) constitute a versatile class of soft materials whose combination of molecular order and fluidity enables the creation of nanostructured drug-delivery systems with precisely tunable properties. This review provides a unified and application-oriented evaluation of thermotropic and lyotropic liquid crystal systems, emphasizing how their self-assembly, curvature behavior, and interfacial energetics govern mesophase formation and drug-loading capacity. Particular focus is placed on the biodegradability, biocompatibility, and structural robustness of LC matrices, as these parameters critically determine safety and sustained-release performance. Key preparation strategies, including high-energy top-down dispersion, low-energy bottom-up assembly, and precursor-based methods, are examined alongside characterization tools such as polarized optical microscopy, small-angle X-ray scattering, and dynamic light scattering. The ability of LC nanocarriers to encapsulate both hydrophilic and hydrophobic drugs, minimize burst release, and deliver controlled diffusion through cubic, hexagonal, and lamellar architectures is highlighted. Their high entrapment efficiency, extended-release kinetics, and inherent colloidal stability position these systems as promising candidates for improving the delivery of poorly soluble therapeutics. The review further synthesizes insights into phase transitions, dilution responses, and stimuli-responsive behaviors that enable on-demand or site-specific release. Scalability, compatibility with low-energy processing, and stability under physiological conditions support their translational relevance. Unlike earlier reviews, this article integrates structural phase physics, formulation engineering, and translational evidence into a unified framework, contrasting cubic, hexagonal, and lamellar systems across preparation routes, stimuli responsiveness, release behavior, toxicology, and clinical progress to provide an up-to-date, application-oriented perspective for LC-based nanomedicine. Lyotropic ; Liquid crystal ; Mesophase ; Lyotropic liquid crystal ; Drug delivery ; Thermotropic crystal ; Lamellar structure ; Amphiphile ; Liquid crystalline Liquid Crystal Research Advancements ; Advanced Materials and Mechanics ; Lipid Membrane Structure and Behavior
Authors: R. Ma | Yuncheng Yu
Source: Polymers (article, 2026-04-02)
Field: Materials Science — Polymers and Plastics

Next-Generation PVA–Dye Complex Film with Advanced Properties for Optical Applications With the development of the information society, display technologies are evolving toward greater flexibility and advanced performance. Dye-based polyvinyl alcohol (PVA) complex films have gained widespread attention for their excellent resistance to high temperature and humidity. This review systematically summarizes the research progress of dye-based polarizers using PVA as the substrate, focusing on their preparation principles, film properties, and impacts on optical performance. Strategies to enhance optical properties and durability are discussed, including dye molecular optimization, formulation design, control of the dyeing process, and PVA substrate film modification. Notably, improving interfacial interactions between dyes and PVA enhances molecular orientation and stability, while PVA modification improves mechanical properties, water resistance, thermal stability, and flame retardancy. By demonstrating these enhanced comprehensive properties, this review highlights the potential of PVA–based films to serve as high-performance platforms for the development of next-generation multifunctional optical and display materials. Finally, the challenges and development directions of dye-based PVA complex films for optical applications in harsh environments are prospected. This review provides a theoretical basis and technical pathway for the design and development of next-generation high-performance composite polarizers. Polarizer ; Flexibility (engineering) ; Polyvinyl alcohol ; Durability ; Substrate (aquarium) ; Composite number Polymer Nanocomposite Synthesis and Irradiation ; Nanocomposite Films for Food Packaging ; Electrospun Nanofibers in Biomedical Applications
Authors: Sargin | Ak Azem
Source: Nanomaterials (article, 2026-02-28)
Field: Materials Science — Materials Chemistry

Hydrothermal Synthesis of CeO2: Structure–AdsorptionPerformance Relationship in Methyl Orange Dye Removal CeO<sub>2</sub> particles were synthesized via a hydrothermal method to investigate the influenceof precursor molarity and reaction time on their structural, optical, and adsorption characteristics. Ce(NO<sub>3</sub>)<sub>3</sub>·6H<sub>2</sub>O served as the cerium source, while PVP and Triton X-100acted as surfactants to regulate nucleation and particle growth. XRD and Raman analysesconfirmed the formation of single-phase cubic fluorite CeO<sub>2</sub>, whereas FTIR spectra verifiedthe presence of Ce-O bonding. SEM observations revealed that a decreasing precursormolarity led to smaller and more uniform particles, while prolonged reaction times enhanced crystallinity. UV-Vis DRS and XPS analyses indicated that both the band gap(3.06-3.12 eV) and the Ce<sup>3+</sup>/Ce<sup>4+</sup> ratio were governed by oxygen vacancies, demonstrating defect-mediated redox behavior. Adsorption studies using methyl orange (MO) dye followed pseudo-second-order kinetics (R<sup>2</sup> > 0.99), indicating chemisorption as the dominant mechanism. The CP1-8 sample exhibited the highest dye removal efficiency (87%) under acidic conditions (pH < pHPZC). These findings demonstrate that controlled hydrothermal synthesis enables precise tuning of CeO<sub>2</sub> morphology, defect density, and surface chemistry, yielding efficient adsorbent materials for environmental remediation applications. Methyl orange ; Adsorption ; Hydrothermal circulation ; Hydrothermal synthesis ; X-ray photoelectron spectroscopy ; Chemisorption ; Fourier transform infrared spectroscopy ; Cerium ; Nucleation Catalytic Processes in Materials Science ; Chemical Looping and Thermochemical Processes ; Geochemistry and Elemental Analysis
Authors: Mirela Honciuc | Oana-Iuliana Negru | Andrei Honciuc
Source: International Journal of Molecular Sciences (article, 2026-03-12)
Field: Materials Science — Materials Chemistry

Gradual Morphological Tuning in Polymer Microspheres via Pickering Emulsion Synthesis: Architecture-Controlled Dye Adsorption and Encapsulation Polymeric microspheres synthesized via Pickering emulsion polymerization offer structural tunability, making them attractive platforms for dye adsorption. This study investigates the adsorption behavior of methylene blue onto two classes of polymeric microspheres-poly(methacrylic acid) crosslinked with ethylene glycol dimethacrylate (PM), containing both micro- and nanopores, and poly(methacrylic acid) crosslinked with divinylbenzene (PD), containing only nanopores. The adsorption kinetics were modeled using a dual-process approach that distinguishes between diffusion-controlled transport and surface-controlled kinetic adsorption. We quantified the relative contributions of these mechanisms and correlated them with particle architecture. In the PM particles, diffusion plays a significant role in smaller particles with larger macropores, enabling methylene blue to penetrate the interior. As the particle size increased and macroporosity decreased, adsorption becomes increasingly dominated by surface kinetics. In contrast, PD particles -which lack macropores-showed the opposite trend: smaller particles were primarily governed by fast surface adsorption, while in larger particles, diffusion through nanopores became increasingly relevant. Correlation analysis between adsorption rate constants and structural parameters such as particle diameter and pore sizes revealed strong, opposing trends. In PD particles, a near-perfect inverse correlation was observed between the diffusion and kinetic components, indicating competitive suppression, where the dominance of one mechanism limited the contribution of the other. These results demonstrated that internal pore architecture played a central role in controlling the adsorption mechanism. Tuning particle size and porosity allowed deliberate control over the balance between diffusion and surface kinetics, enabling the rational design of microparticle adsorbents with tailored uptake behavior for water purification and dye removal applications. Pickering emulsion ; Adsorption ; Divinylbenzene ; Polymer ; Ethylene glycol dimethacrylate ; Particle size ; Diffusion ; Emulsion polymerization Pickering emulsions and particle stabilization ; Hydrogels: synthesis, properties, applications ; Mesoporous Materials and Catalysis
Authors: Pengzhi Bei | Jiayin Zhao | Yuning Qi | Xiaolu Gao | Yan Dai | Hongjing Liu | Xingtang Xu | Lili Deng
Source: The Innovation Materials (article, 2026-01-01)
Field: Chemistry — Inorganic Chemistry

Morphological programming in MOF thin films: Wrinkling as a paradigm for functional integration Process (computing) ; Function (biology) ; Feature (linguistics) ; Work (physics) Metal-Organic Frameworks: Synthesis and Applications ; Transition Metal Oxide Nanomaterials ; Magnesium Oxide Properties and Applications
Authors: Rashed Sarah
Source: ICCCM Journal of Social Sciences and Humanities (article, 2026-01-12)
Field: Materials Science — Materials Chemistry

Comparison studies of Double Layered Hydroxides modified by sodium dodecyl sulphate and Graphene Oxide composites for the treatment of Coomassie blue (G-250) in wastewater In this study, Sodium Dodecyl Sulphate modified double layered hydroxides (SDS-LDH) and Graphene Oxide Double Layered Hydroxides (GO-LDH) were synthesized via reconstruction and sonochemical methods, respectively. Batch experiments were performed to study the adsorption behaviour and mechanism of the synthesized adsorbents to eliminate Coomassie brilliant blue G-250 dye (CBB) from an aqueous solution. GO-LDH was more efficient in CBB adsorption through ion exchange, resulting in qe= 1430 mg/g using 5 mg of GO-LDH at 5 min owing to its high specific average surface area and inter-lamellar distance. However, SDS-LDH depended on the hydrophobic interaction with CBB leading to qe= 62 mg/g using 85 mg of SDS-LDH at 60 min. SDS-LDH and GO-LDH obeyed the PSO model with a GO-LDH adsorption initial rate 7 times higher than that of SDS-LDH as discussed by the intra-particle diffusion model via three steps. Layered double hydroxides ; Adsorption ; Graphene ; Oxide ; Coomassie Brilliant Blue ; Aqueous solution ; Double layer (biology) Layered Double Hydroxides Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Fluoride Effects and Removal
Authors: Michelle Quien | Cody L. Ritt | Sanjay Garimella | Zitang Wei | Mohan Teja Dronadula | Narayana R. Aluru | Michael Strano
Source: Faraday Discussions (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Ambient Stability and Surface Adhesion of 2D Polyaramid Nano-Films Two-dimensional polyaramids (2DPA) represent an emerging class of solution-synthesized, molecularly thin polymer sheets that combine the exceptional in plane mechanical strength and barrier performance of conventional 2D materials with the... Adhesion ; Polymer ; Surface forces apparatus ; Surface (topology) ; Stability (learning theory) ; Plane (geometry) ; Thin film Graphene research and applications ; Covalent Organic Framework Applications ; Polymer composites and self-healing
Authors: Rene G. Morán-Salazar | Ricardo Manríquez‐González | Alejandro Aarón Peregina-Lucano | José A. Gutierréz-Ortega | Agustín Lara | Eulogio Orozco‐Guareño | Adriana Macaria Macías-Lamas | Jessica Badillo-Camacho | Ilya G. Shenderovich | Milton Vázquez‐Lepe | Sergio Gómez-Salazar
Source: Gels (article, 2026-02-03)
Field: Chemistry — Inorganic Chemistry

From Surface Energetics to Environmental Functionality: Mechanistic Insights into Hg(II) Removal by L-Cysteine-Modified Silica Gel The development of oxidation-resistant and regenerable materials remains a major challenge for mercury removal from contaminated waters and industrial effluents. In this study, a zwitterionic mesoporous silica gel functionalized with L-cysteine (SG-3PS-Cys) was synthesized, where the thiol group is covalently anchored to the silica framework, preventing oxidative degradation while preserving -NH<sub>3</sub><sup>+</sup> and -COO<sup>-</sup> groups for Hg(II) coordination. Spectroscopic analyses (FTIR, XPS, and <sup>13</sup>C NMR) confirmed the formation of a stable, thiol-free binding environment in which mercury interacts through carboxylate oxygen atoms, electrostatically stabilized by neighboring ammonium groups. The material exhibited a high surface area (134 m<sup>2</sup> g<sup>-1</sup>) and uniform mesoporosity (9.8 nm), achieving a maximum Hg(II) uptake of 82.7 mg g<sup>-1</sup> at pH 3 with rapid kinetics and cooperative S-type isotherms. The adsorbent retained 72% of its capacity after five regeneration cycles and maintained 38.7% selectivity toward Hg(II) in multicomponent solutions. DFT-based surface energy distribution analysis supported the zwitterionic coordination mechanism, revealing energetically homogeneous and high-affinity binding domains. Beyond its chemical stability, the material introduces a sustainable route for mercury remediation, linking surface energy, electrostatic effects, and porosity to achieve durable performance under acidic and complex aqueous conditions. These findings provide a mechanistic and design framework for the next generation of non-thiol adsorbents capable of selective and reusable Hg(II) removal in environmentally relevant scenarios. Adsorption ; Mesoporous silica ; Mercury (programming language) ; Aqueous solution ; Selectivity ; Silica gel ; Carboxylate ; Covalent bond ; Porosity ; Kinetics Metal-Organic Frameworks: Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Mesoporous Materials and Catalysis
Authors: M. H. N. Revon | Namal Priyantha
Source: Discover Electrochemistry. (article, 2026-02-18)
Field: Materials Science — Materials Chemistry

Superior corrosion inhibition activity of CaO nanoparticles synthesized from natural sources toward stainless–steel Grade 202 in chloride-rich media Stainless Steel Grade 202 (SS Grade 202) is an iron-based alloy containing a moderate percentage of chromium, leading to be resistant toward corrosion in mild environments, and thus it is used in several industrial applications. However, its corrosion behavior in aggressive media and the efficiency of sustainable and low-cost corrosion inhibitors are not adequately explored. Nanoparticles (NPs) act as corrosion inhibitors and are adsorbed on the surface of metals, acting as a physical barrier to corrosion by reducing the area exposed to the corrosive medium. NPs of CaO derived from calcination of natural materials, such as clamshells and limestone, are highly effective corrosion inhibitors due to their smaller particle size and higher surface area, and more importantly, having the ability of passivation forming an oxide film. Synthesized CaO NPs were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, X-ray fluorescence spectroscopy, particle size analysis and scanning electron microscopy, while the corrosion behavior of SS Grade 202 was studied by mass loss measurements, open circuit potential measurements, electrochemical impedance spectroscopy and linear polarization. Limestone-generated CaO NPs at 0.05 mol L−1 strength in 0.50 mol L−1 HCl show a corrosion rate of 3.53 × 10−2 mmpy, which is much lower compared to the performance exhibited by CaO NPs from clamshells (1.24 mmpy). Abundant clamshell and limestone resources ensure a green, cost-effective route to producing CaO NPs as a corrosion inhibitor. This study introduces a new inhibitor based on CaO NPs with potential for practical corrosion protection. The straightforward and scalable synthesis, along with its impressive protective capabilities, underscores its practicality for industrial use and its uniqueness relative to traditional inhibitors. Corrosion ; Passivation ; Nanoparticle ; Dielectric spectroscopy ; Calcination ; Tafel equation ; Oxide Corrosion Behavior and Inhibition ; Calcium Carbonate Crystallization and Inhibition ; Hydrogen embrittlement and corrosion behaviors in metals