jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Grace K. White | Daniel K. Unruh | Ryan H. Groeneman
Source: Frontiers in Chemistry (article, 2025-12-04)
Field: Chemistry — Physical and Theoretical Chemistry

Expanding the application of chlorinated anilines as molecular templates to achieve a series of solid-state [2 + 2] cycloaddition reactions The ability to achieve a series of solid-state [2 + 2] cycloaddition reactions within related hydrogen-bonded co-crystals is reported. These multicomponent molecular solids contain either <i>trans</i>-1,2-bis(3-pyridyl)ethylene (<b>3,3-BPE</b>) or <i>trans</i>-1,2-bis(2-pyridyl)ethylene (<b>2,2-BPE</b>) as the reactant, along with one of two chlorinated anilines that behave as a template, namely 2,3,5,6-tetrachloroaniline (<b>C</b> <sub><b>6</b></sub> <b>H</b> <sub><b>3</b></sub> <b>Cl</b> <sub><b>4</b></sub> <b>N</b>) or 2,4,6-trichloroaniline (<b>C</b> <sub><b>6</b></sub> <b>H</b> <sub><b>4</b></sub> <b>Cl</b> <sub><b>3</b></sub> <b>N</b>). For each of the four unique organic solids, the co-crystallization process yields a three-component hydrogen-bonded assembly with a formula of either 2(<b>C</b> <sub><b>6</b></sub> <b>H</b> <sub><b>3</b></sub> <b>Cl</b> <sub><b>4</b></sub> <b>N</b>)·(<b>3,3-BPE</b>), 2(<b>C</b> <sub><b>6</b></sub> <b>H</b> <sub><b>4</b></sub> <b>Cl</b> <sub><b>3</b></sub> <b>N</b>)·(<b>3,3-BPE</b>), 2(<b>C</b> <sub><b>6</b></sub> <b>H</b> <sub><b>3</b></sub> <b>Cl</b> <sub><b>4</b></sub> <b>N</b>)·(<b>2,2-BPE</b>), or 2(<b>C</b> <sub><b>6</b></sub> <b>H</b> <sub><b>4</b></sub> <b>Cl</b> <sub><b>3</b></sub> <b>N</b>)·(<b>2,2-BPE</b>). In all co-crystals, these anilines template up to a quantitative yield for the photoreaction since they are able to engage in both N-H···N hydrogen bonds and homogeneous face-to-face π-π stacking interactions, which position the ethylene groups within the different reactant molecules in a suitable location to photoreact. These results complete the series for the remaining symmetric bipyridine-based reactants to undergo a solid-state [2 + 2] cycloaddition reaction utilizing these chlorinated anilines. This work expands and illustrates the potential for these chlorinated anilines to serve as reliable molecular templates that crystal engineers can utilize to control the organic solid state and achieve photoreactions. Cycloaddition ; Template ; Stacking ; Yield (engineering) ; Molecule ; Ethylene ; Hydrogen bond ; Series (stratigraphy) Crystallography and molecular interactions ; Coordination Chemistry and Organometallics ; Synthesis and Properties of Aromatic Compounds
Authors: B. Khaleelu Rehman | Jainaf Natchiya | Ubaidullah Uthamanasa | Mohan Kumar | Mohamed Imath
Source: Preprints.org (preprint, 2025-09-05)
Field: Chemistry — Organic Chemistry

Improving Antifungal Potency of Sertaconazole Nitrate via Vaterite Carrier Nanoparticles: Formulation and Evaluation of Topical Hydrogel Vaterite, a polymorph of calcium carbonate, is gaining attention in nanotechnology as an effective carrier for antifungal agents due to its high surface area, porosity, and biocompatibility. These characteristics enable efficient drug loading and controlled release, allowing antifungal drugs to be delivered more effectively to target sites, potentially enhancing their therapeutic efficacy and reducing side effects. This study explores the synthesis, characterization, and evaluation of Sertaconazole nitrate (SN)-loaded calcium carbonate (CaCO₃) vaterite carrier nanoparticles (NPs) formulated into a topical hydrogel for enhanced antifungal therapy. UV-visible spectroscopy confirmed the synthesis of CaCO₃ vaterite carrier nanoparticles with an absorbance peak at 275 nm. FTIR analysis provided insight into the functional groups present in SN, CaCO₃, and SN-CaCO₃ NPs, indicating successful drug encapsulation. Morphological characterization using SEM and TEM demonstrated uniform, nanometer-sized particles essential for drug delivery. DLS analysis showed a mean particle size of 222.7 nm, with a Zeta Potential of -39.4 mV, suggesting good stability in suspension. Antifungal efficacy was evaluated via well diffusion, showing enhanced inhibition zones for SN-CaCO₃ NPs, with further confirmation from biofilm inhibition assays, highlighting the potential for biofilm-targeted drug delivery. In vitro cytotoxicity assays on A231 skin cancer cells indicated a dose-dependent response, suggesting the need for optimized concentrations in therapeutic applications. The hydrogel formulation displayed desirable physical properties, including appropriate pH, viscosity, spreadability, and washability, suitable for dermatological use. SN-CaCO₃ NPs in a topical hydrogel formulation represent a promising approach for targeted antifungal therapy, particularly for biofilm-associated infections. Vaterite ; Zeta potential ; Antifungal ; Cytotoxicity ; Nanoparticle ; Drug ; Potency ; Antifungal drug ; Calcium carbonate Polydiacetylene-based materials and applications ; Nanocomposite Films for Food Packaging ; Advanced Drug Delivery Systems
Authors: Pengfei Guan | Bo Zhang
Source: Entropic and Disordered Matter (article, 2025-09-08)
Field: Materials Science — Materials Chemistry

Inaugural Editorial: Entropic and Disordered Matter—Exploring Order in Disorders On the occasion of the launch of Entropic and Disordered Matter, we extend our warmest greetings to researchers worldwide dedicated to unraveling the mysteries of the complexity and randomness of matter, fueled by boundless enthusiasm and reverence for the frontiers of science! [...] Randomness ; Reverence ; Order (exchange) ; Enthusiasm Material Dynamics and Properties ; Machine Learning in Materials Science ; nanoparticles nucleation surface interactions
Authors: Yan Liu | Filippo S. Boi | Leilei Zhang | Lifen Guo | Lerui Chen | yanxia Ma | Biao Yang | Muhammad Mushtaq
Source: Research Square (preprint, 2025-02-03)
Field: Materials Science — Materials Chemistry

Gas-sensitive detection of gas pollutants (CO, CO 2 , N 2 O) by monolayer Ti-C 2 N -V : a DFT study Monolayer ; Pollutant ; Analytical Chemistry (journal) ; Air pollutants ; Materials science ; Chemistry ; Environmental chemistry ; Nanotechnology ; Organic chemistry ; Air pollution MXene and MAX Phase Materials ; 2D Materials and Applications ; Graphene research and applications
Authors: Renren Wang | Hao Xiao | Yi Tan | Chen Luo | Yuhang Zhou | Ruibang Xie | Chuan Seng Tan | Yifei Yang | Cheng Liu | Hengyang Wang | Junxiao Yang | Tao Duan | Lin Zhu
Source: Frontiers in Environmental Science (article, 2025-12-03)
Field: Materials Science — Materials Chemistry

One-step hydrothermal synthesis of bismuth sulfide aerogel for efficient iodine capture The efficient capture of radioactive iodine is critical for nuclear safety due to its high mobility and toxicity. Bismuth sulfide (Bi 2 S 3 ) aerogel, synthesized via a one-step hydrothermal method, demonstrates exceptional iodine adsorption performance. Characterization by scanning electron microscopy (SEM) and BET confirmed the material’s porous structure, which facilitated iodine uptake. Batch experiments revealed a high adsorption capacity of 1,204 mg/g, with kinetics and isotherms well described by the pseudo-second-order model and Freundlich isotherm, respectively, indicating that the adsorption process is dominated by chemisorption. The adsorption mechanism involves iodine phase transfer and subsequent formation of stable BiI 3 phases, ensuring long-term immobilization. The Bi 2 S 3 aerogel demonstrates superior chemical and thermal stability, high capture efficiency, and cost-effectiveness, further highlighting its practical potential for nuclear waste management. This work advances the design of bismuth-based adsorbents by combining high capacity, stability, and scalable synthesis, thereby offering a sustainable solution for radioactive iodine capture. Aerogel ; Adsorption ; Bismuth ; Iodine ; Hydrothermal synthesis ; Sulfide ; Hydrothermal circulation ; Freundlich equation Covalent Organic Framework Applications ; Chemical Looping and Thermochemical Processes ; Carbon Dioxide Capture Technologies
Authors: Н. И. Черкашина | В. И. Павленко | A.Yu. Ruchiy | S. V. Serebryakov | R. A. Barinov
Source: Nanotechnologies in Construction A Scientific Internet-Journal (article, 2025-04-30)
Field: Materials Science — Polymers and Plastics

Synthesis of self-healing microcapsules based on dicyclopentadiene Introduction.The study aims to explore the possibility of creating microcapsules using a carbamide-formaldehyde shell (coat) that contains dicyclopentadiene.Materials and methods.The following reagents were used to synthesize carbamide-formaldehyde microcapsules: distilled water; carbamide (urea) with a purity of 99%; technical formalin; sodium hydroxide (Pro Analysis PA); neem seed oil (NSO); polysorbate Twin-80; dicyclopentadiene with a purity of 98%; absolute ethyl alcohol (dehydrated); hydrochloric acid (Pro Analysis PA).Results and discussion.Organic microcapsules were obtained by polymerization of carbamide-formaldehyde resin.Filling of microcapsules with dicyclopentadiene has been carried out by establishing equilibrium between concentrated solution of dicyclopentadiene in alcohol and capsule contents.Average size of capsules was ~100 m.Capsules have spherical shape and solid shell.Fourier-transform IR (FTIR) spectrum confirmed required compositions of capsule shell and filler.Analysis of DSC curve (Differential scanning calorimetry curve) showed that filling of capsules with dicyclopentadiene was successful.Conclusion.The result of the research done is the successful synthesis of microcapsules using a carbamide-formaldehyde shell.This synthesis of microcapsules and its application in building materials technology opens up new prospects for creating composites with selfhealing properties. Dicyclopentadiene ; Self-healing ; Self-healing material ; Materials science ; Composite material ; Medicine ; Polymerization ; Polymer ; Pathology Polymer composites and self-healing
Authors: Jing Sang | Sumio Aisawa | Chika Chida | Dexin Chen | Di Wang | Hidetoshi Hirahara
Source: ACS Omega (article, 2025-08-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Plasma-Assisted Surface Functionalization for High-Strength, Thermally Stable Copper Plating on Cycloolefin Polymer Films With the advancement of beyond 5G technologies, miniaturization of electronic devices, and proliferation of Internet of Things applications, transparent and flexible materials such as cycloolefin polymers (COPs) have garnered increasing attention as candidate antenna substrates. However, the inherent lack of chemically reactive functional groups on COP surfaces poses challenges for their use in antenna and circuit board fabrication. In this study, we propose a surface modification strategy that combines mild low-pressure plasma treatment with the subsequent introduction of functional molecular layers to enhance interfacial adhesion between copper (Cu) and COP substrates. Importantly, this approach maintains the inherent low surface roughness of COP while increasing chemical reactivity. We systematically investigated the influence of plasma treatment time (30 s to 10 min) on the COP surface properties, molecular layer bonding, and the adhesion performance of Cu/COP. A peel strength exceeding 1.2 kN/m was achieved when plasma treatment time was kept below 5 min, and adhesion values above 1.0 kN/m were retained even after thermal aging at 120 °C for 7 days. To clarify the mechanisms underlying adhesion performance, we thoroughly characterized the chemical structure at the Cu/COP interface and evaluated the effects of plasma treatment on both interfacial strength and thermal durability. Notably, atomic force microscopy-nanoscale infrared spectroscopy (AFM-nanoIR) was employed to directly probe chemical changes at the Cu/COP cross-section, providing submicron spatial resolution. This analysis revealed that oxidation at the interfaceparticularly intensified after thermal exposurewas a primary factor contributing to interfacial degradation and reduced adhesion performance. These findings highlight the critical role of plasma-induced surface activation in enhancing metal-polymer adhesion and offer insights into the limitations of current modification strategies. The results further suggest potential strategies for improving interfacial reliability in chemically inert polymer systems, paving the way for their broader use in diverse metal adhesion applications. Surface modification ; Copper ; Materials science ; Polymer ; Plating (geology) ; Plasma ; Composite material ; Chemical engineering ; Metallurgy Copper Interconnects and Reliability ; Metal and Thin Film Mechanics ; Nanofabrication and Lithography Techniques
Authors: LI Yong-ji | Guangyong Li | Xuetong Zhang
Source: npj Soft Matter (article, 2025-11-03)
Field: Chemistry — Spectroscopy

Triple-state gel: an immoral marriage between hydrogel and aerogel The triple-state gel simultaneously containing respectively continuous solid, liquid, and gaseous phases, as a combination between aerogel and hydrogel, has opened up a brand-new avenue for developing soft matter for various emerging applications. Aerogel ; Self-healing hydrogels ; Soft matter ; Polymer Aerogels and thermal insulation ; Hydrogels: synthesis, properties, applications ; Supramolecular Self-Assembly in Materials
Authors: Pawan Kumar Dubey | Jyoti Bhadoriya
Source: International Journal on Science and Technology (article, 2025-07-26)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Need for Electrochemical Energy Material Research As the world increasingly turns to renewable energy to mitigate the effects of climate change and reduce dependence on fossil fuels, the demand for efficient, safe, and sustainable energy storage solutions is rapidly growing. Electrochemical energy systems, such as batteries, fuel cells, and supercapacitors, are central to this transformation. This research paper explores the fundamental physics underlying electrochemical materials, current advancements in material science, and the necessity for continued research to overcome limitations in performance, cost, and sustainability. Emphasis is laid on the atomic and molecular scale understanding of materials which can drive innovations in energy storage and conversion technologies. Electrochemistry ; Materials science ; Chemistry ; Electrode Supercapacitor Materials and Fabrication
Authors: R. Sharanabasavaraj | S. Arungalai Vendan | Mukti Chaturvedi
Source: Annals of Dunarea de Jos University of Galati Fascicle XII Welding Equipment and Technology (article, 2025-12-15)
Field: Materials Science — Biomaterials

Insights into Ultrasonic Welding of ABS-PC (Mycril) Polymers: Characterization and Performance Analysis This study looks at the characterization and performance of ultrasonic welding for ABS-PC (Mychril) polymer blends used in EV station applications. Experiments were conducted and a detailed characterization of the welded interfaces were performed using Scanning Electron Microscopy (SEM) to examine their structure. Fourier Transform Infrared Spectroscopy (FTIR) was deployed to identify chemical interactions and any potential degradation, and X-ray Diffraction (XRD) to evaluate changes in crystallinity caused by the welding process. SEM images showed consistent fusion and minimal voids, while FTIR and XRD tests showed that key functional groups remained intact with slight changes in crystallinity. Mechanical tests were also carried out on the welded samples that involved tensile, impact and fracture assessments. Pearson’s heat map coefficient analysis was performed to understand the influence of input process parameters on the mechanical strength outcomes. This research shows that ultrasonic welding is a suitable, sustainable, and effective method for assembling ABS-PC samples in EV applications, providing mechanical reliability and design flexibility. Welding ; Characterization (materials science) ; Ultrasonic welding ; Crystallinity ; Fourier transform infrared spectroscopy ; Ultrasonic sensor ; Scanning electron microscope ; Fourier transform ; Ultrasonic testing biodegradable polymer synthesis and properties ; Polymer crystallization and properties ; Tribology and Wear Analysis
Authors: Maqbool Hussain | Zhao Liang | Xusheng Zhang | Yang Chen | Yi Cui | Zhisheng Yu | Jianzhong Zheng
Source: Separations (article, 2025-10-13)
Field: Chemistry — Inorganic Chemistry

Functionalized Carbon-Based Materials for Uranium Extraction: A Review The development of effective materials for uranium extraction from seawater is vital for advancing sustainable energy solutions. However, the efficient recovery of uranium from seawater presents significant challenges due to its extremely low concentration, the presence of competing ions, and the complex marine environment. To address these issues, various materials such as inorganic and organic sorbents, chelating resins, nanostructured sorbents, and composite materials have been explored. More recently, the functionalization of carbon-based materials for enhanced adsorption properties has attracted much interest because of their high specific surface area, excellent chemical and thermal stability, and tunable porosity. These materials include activated carbon, graphene oxide, biochar, carbon cloths, carbon nanotubes, and carbon aerogels. The enhancement of carbonaceous materials is typically achieved through surface functionalization with chelating groups and the synthesis of composite materials that integrate other high-performance sorbents. This review aims to summarize the work of these functionalized carbon materials, focusing on their adsorption capacity, selectivity, and durability for uranium adsorption. This is followed by a discussion on the binding mechanisms of uranium with major chelating functional groups grafted on carbonaceous sorbents. Finally, an outlook for future research is suggested. We hope that this review will be helpful to researchers engaged in related studies. Uranium ; Adsorption ; Surface modification ; Carbon fibers ; Activated carbon ; Chelation ; Graphene Radioactive element chemistry and processing ; Extraction and Separation Processes ; Chemical Synthesis and Characterization
Authors: Vagif A. Gasimov | Asif N. Mammadov
Source: Voprosy Khimii i Khimicheskoi Tekhnologii (article, 2025-12-01)
Field: Materials Science — Materials Chemistry

Study of variable composition phase along the AgSbS2–Ag8SnS6 section in the Ag–Sn–Sb–S quaternary system Ternary chalcogenide compounds, in particular phases based on silver and antimony sulfides, have attracted research attention because of their potential applications. Antimony chalcogenides are semiconductor materials with photosensitive properties and are therefore widely used in photoresistors, photocells, electron-beam devices, solar cells, semiconductor sensitizers, micromechanical, and optical devices. In the study of the Ag8SnS6–AgSbS2 system, the initial compounds (Ag8SnS6, AgSbS2) were first synthesized. Elements of at least 99.99 wt.% purity were used in the synthesis. Synthesis involving a volatile component (sulfur) was carried out using a visual-combined method. Alloys of the AgSbS2–Ag8SnS6 system were synthesized from ligatures using the ampoule method in a vertical furnace. The maximum temperature of alloy synthesis was 1200 K. The synthesis lasted for 3.5 h with mechanical stirring and slow cooling. Annealing of the AgSbS2–Ag8SnS6 alloys was carried out in evacuated, sealed quartz ampoules at 550–700 K for 380 h. The paper presents data on phase equilibria in the AgSbS2–Ag8SnS6 system. Based on the results of X-ray structural and microstructural analyses, differential thermal analysis, and thermodynamic calculations, a phase diagram of the AgSbS2–Ag8SnS6 section over a wide concentration range was constructed. It was found that this is a quasi-binary section of the ternary system Ag2S–SnS2–Sb2S3. The AgSbS2–Ag8SnS6 system is eutectic; the eutectic point corresponds to 38 mol.% Ag8SnS6 and 750 K. The homogeneity regions based on AgSbS2 and Ag8SnS6 were determined. Solid solutions based on AgSbS2 are formed at room temperature (300 K) at 10 mol.% Ag8SnS6, whereas solid solutions based on Ag8SnS6 are formed at 16 mol.% AgSbS2. Solid solutions based on AgSbS2 crystallize in the monoclinic syngony, and those based on Ag8SnS6 crystallize in the rhombic syngony. Ampoule ; Solid solution ; Eutectic system ; Phase diagram ; Alloy ; Antimony ; Semiconductor ; Annealing (glass) ; Chalcogenide Phase-change materials and chalcogenides ; Advanced Thermoelectric Materials and Devices ; Chalcogenide Semiconductor Thin Films
Authors: Danyao Qu | Hossam Haick
Source: MRS Bulletin (article, 2025-12-01)
Field: Materials Science — Materials Chemistry

Nanomaterial-enabled volatilomic systems for portable health diagnostics Instrumentation (computer programming) ; Healthcare system ; MEDLINE Advanced Nanomaterials in Catalysis ; Gas Sensing Nanomaterials and Sensors ; Advanced Chemical Sensor Technologies
Authors: Ibtihel Soudani | Mohamed Mounir | Samia Aydi | Abderrazek Oueslati | Abdelhedi Aydi
Source: Photochemistry and Spectroscopy (article, 2025-12-23)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Investigation of Dielectric Behavior, Diffuse Phase Transition, and Optical Band Gap in Polycrystalline KSr0.5Fe2O4 Ceramics This study investigates the dielectric phase transition and optical properties of polycrystalline KSFO (KSr0.5Fe2O4). The temperature dependence of the dielectric constant reveals clear phase-transition behavior. Diffuse phase characteristics are evaluated using the modified Curie–Weiss law and Lorentzian analysis. Dielectric analysis as a function of temperature indicates a ferroelectric–paraelectric (FE–PE) transition, evidenced by a pronounced increase in the real part of the permittivity near 480 K. At lower temperatures, the material exhibits high dielectric permittivity and low dielectric loss, highlighting its potential for energy storage applications. Optical measurements yield a direct band gap of 2.10 eV, confirming the semiconducting nature of the KSFO ceramic. Overall, these results suggest that KSFO is a promising candidate for multifunctional device applications. Dielectric ; Permittivity ; Band gap ; Crystallite ; Phase (matter) ; Dielectric loss ; Ceramic ; Relative permittivity Multiferroics and related materials ; Dielectric properties of ceramics ; Ferroelectric and Piezoelectric Materials
Authors: Daniel Velev Latchev | Arthur Andreis | Jan Heeg | Jacinto Sá
Source: Angewandte Chemie International Edition (article, 2025-12-17)
Field: Chemistry — Inorganic Chemistry

Plasmonic Hot‐Carrier Redox Enables Proton‐Coupled Electron Transfer at C─H Bonds Proton-coupled electron transfer (PCET) enables the activation of strong X─H bonds (X = C, N, O) under mild conditions, yet mechanistic interrogation remains challenging due to limited control over electron and proton energetics. Here, we demonstrate that plasmon-driven photocatalysis provides a powerful platform to disentangle these contributions. Using gold nanoparticles supported on an engineered energy-filter substrate as photoelectrodes, we achieve oxidative C─H bond activation in 1-benzyl-1,4-dihydronicotinamide via multi-site PCET under visible-light excitation. Photocurrent kinetics and energetics zone analysis reveal an electron-then-proton transfer (ET-PT) pathway that requires pre-association of the base. The average plasmonic oxidation potential is estimated at ∼0.64 V versus Fc⁺/Fc, corresponding to hot-hole energies of ∼0.52 eV. These findings establish plasmonic materials not only as versatile light absorbers for photoredox catalysis but also as mechanistic probes for resolving fundamental PCET pathways. Electron transfer ; Plasmon ; Photocurrent ; Proton-coupled electron transfer ; Substrate (aquarium) ; Plasmonic nanoparticles ; Kinetics ; Redox ; Photocatalysis Metal-Catalyzed Oxygenation Mechanisms ; Metalloenzymes and iron-sulfur proteins ; Photosynthetic Processes and Mechanisms