jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Iram Shabbir Khan | Swarnalatha Yanamadala | Senthilkumar Chinnaiyan | Narendran Chiterasu | Siddhika Kannan
Source: Journal of biomimetics, biomaterials and biomedical engineering (article, 2025-12-22)
Field: Materials Science — Materials Chemistry

Optimization of Silver Nanoparticle Synthesis Using S. Amaranthoides Leaf Extract via Response Surface Methodology for Enhanced Antibacterial Applications In this study, silver nanoparticles (S-AgNPs) were synthesised using S. amaranthoides leaf extract through a green synthesis approach, and their synthesis conditions were optimised using Response Surface Methodology (RSM) based on a Box–Behnken Design (BBD). The model was statistically significant (F-value = 12.21, p &lt; 0.0017) and showed strong predictive capability (adjusted R² = 0.8631). Optimal synthesis was achieved with 1 mL of 1 mM AgNO₃, 20 minutes of extract exposure, and a reaction temperature of 70 °C. Characterisation techniques, including UV–Vis, FTIR, XRD, SEM, and TEM, confirmed the formation of spherical, crystalline S-AgNPs capped with phytochemicals from the plant extract. Antibacterial analysis revealed potent activity, with the optimised S-AgNPs showing a maximum zone of inhibition of 25.8 mm against MRSA , outperforming the standard antibiotic ceftriaxone. These results demonstrate the efficacy of RSM in fine-tuning synthesis parameters to produce bioactive S-AgNPs using an eco-friendly and sustainable approach. Response surface methodology ; Silver nanoparticle ; Nanoparticle ; Central composite design ; Antibacterial activity ; Box–Behnken design Nanoparticles: synthesis and applications ; Nanomaterials for catalytic reactions ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Luciana V. Cambraia | Tiago A. B. Cotta | Mateus Antônio Nogueira Oliveira | Rafael Braga | Bruno Diniz | Daniel Bastos de Rezende | Glaura G. Silva | Eduardo H.M. Nunes
Source: Journal of Applied Polymer Science (article, 2025-09-03)
Field: Materials Science — Polymers and Plastics

Carbon Nanotube‐Reinforced Rubber Nanocomposites: A Comparison of Simplified and Commercial Formulations ABSTRACT Improving the performance of materials that already possess excellent mechanical properties is one of the most persistent challenges in materials engineering. While carbon‐based nanomaterials such as carbon nanotubes (CNTs) offer remarkable potential for improving polymer nanocomposites, their effectiveness is limited in highly reinforced systems. This limitation is particularly evident in commercial grade rubbers, especially those designed for mining belt covers, which are formulated to provide superior abrasion and tear resistance. In this work, nanocomposites with CNT concentrations up to 8 phr were prepared using both a simplified laboratory formulation and a commercial rubber compound. A pre‐dispersion strategy recently reported was employed, in which the CNTs were dispersed in sulfur to improve their distribution within the rubber matrix. The mechanical and wear properties of both types of nanocomposites were thoroughly analyzed and compared. Although the simplified rubber showed significant improvements in performance, such as a 365% increase in tensile strength, these improvements were less pronounced in the commercial formulation. However, incorporating 5 phr of CNTs into the commercial rubber resulted in a 27% reduction in volume loss during the abrasion test, a notable improvement given the already high performance of the base material. These results demonstrate the potential of CNTs to fine‐tune the properties of advanced rubber composites for demanding industrial applications. Carbon nanotube ; Nanocomposite ; Natural rubber ; Materials science ; Composite material ; Carbon fibers ; Nanotube ; Polymer science ; Composite number Polymer Nanocomposites and Properties ; Tribology and Wear Analysis ; Carbon Nanotubes in Composites
Authors: Eduardo Castellanos | Wojciech Dudziak | Paweł Groch | Michał Szuwarzyński | Róża Szweda
Source: ACS Macro Letters (article, 2025-12-19)
Field: Materials Science — Biomaterials

Ultrasound-Triggered Self-Assembly of Discrete Oligourethanes into Supramolecular Gels: Importance of Stereocenter Sequence Stereochemistry and the monomer sequence of biopolymers are key parameters that guide self assemblies and functions of biological systems. However, abiotic macromolecules are still behind in mimicking the selective interactions that drive the complexity of living matter. Herein, we report that synthetic, precise oligourethanes can form noncovalent assemblies leading to supramolecular gels. Notably, the process of supramolecular gelation occurs outside the aqueous environment and exhibits reversible adaptive behavior in response to external stimuli, including ultrasound and temperature. Gel formation and its properties are guided by the information encoded in the sequence and stereochemistry of their backbones and depend on the solvent environment. The performed spectroscopic studies reveal that the stereochemical control governing the oligourethane conformations, in turn, directs the higher-order assembly pathway. This work demonstrates the compelling property of abiotic oligourethanes that opens up opportunities to fine-tune self-assembly features using sequence control previously thought to be confined to biopolymers. Our findings open up new possibilities for designing synthetic polyurethane materials that can operate in nonphysiological environments while mimicking biopolymer features, thereby laying the foundation for applications in adaptive soft materials, organic-phase catalysis, and chemical sensing, utilizing ultrasonic-based technologies. Supramolecular chemistry ; Sequence (biology) ; Monomer ; Macromolecule ; Biopolymer ; Polymer ; Biomolecule ; Stereocenter ; Amphiphile Supramolecular Self-Assembly in Materials ; Polydiacetylene-based materials and applications ; Polymer composites and self-healing
Authors: Stephan Rudykh | Dean Chen | Nitesh Arora | Yuhai Xiang | Qi Yao | Quan Zhang
Source: Research Square (preprint, 2025-07-08)
Field: Materials Science — Materials Chemistry

Emergence of Large-scale Patterns in Soft Quasicrystals Quasicrystal ; Scale (ratio) ; Economic geography ; Materials science ; Geography ; Condensed matter physics ; Physics ; Cartography Quasicrystal Structures and Properties ; Advanced Materials and Mechanics ; Liquid Crystal Research Advancements
Authors: Fuli Ma | Gu Ying | Ting Wang | Yuqi Zhang | Lipeng Wang | Xiaoguang Zhou | Chungui Tian
Source: SSRN Electronic Journal (preprint, 2025-01-01)
Field: Chemistry — Organic Chemistry

Anion Switched Cobalt-Based Two-Dimensional Porous Nanosheets for Effective Alkaline Overall Water Splitting Cobalt ; Porosity ; Ion ; Materials science ; Water splitting ; Chemical engineering ; Inorganic chemistry ; Chemistry ; Composite material ; Catalysis ; Organic chemistry ; Engineering Nanomaterials for catalytic reactions ; Ammonia Synthesis and Nitrogen Reduction ; Caching and Content Delivery
Authors: Giuseppe Nunziata (22512763) | Emanuele Limiti (12408287) | Dania Aramini (22512766) | Marco Nava (1619788) | Luca Moretti (1352034) | Alberto Rainer (1449154) | Mattia Sponchioni (3341864) | Filippo Rossi (1728229)
Source: Figshare (article, 2025-10-28)
Field: Materials Science — Biomaterials

pH-ThermoDual-Responsive Polymeric Nanoparticlesfor Women’s Health: Dual Action Against Cervical and OvarianCancer Cells The development of smart nanocarriers capable of responding to tumor-specific stimuli represents a promising strategy for improving therapeutic selectivity in oncology. In this work, we present a class of dual-responsive polymeric nanoparticles (NPs) engineered for precision drug delivery in gynecological cancers. Amphiphilic block copolymers of the type P­(MAA)-<i>b</i>-P­(EG<sub>2</sub>MA-<i>co</i>-NIPAM) integrating pH-responsive methacrylic acid (MAA) and thermoresponsive diethylene glycol methyl ether methacrylate (EG<sub>2</sub>MA) and <i>N</i>-isopropylacrylamide (NIPAM) units were synthesized via reversible addition–fragmentation chain transfer (RAFT) polymerization. Fine-tuning of the lower critical solution temperature (LCST) was achieved by modulating the ratio between NIPAM and EG<sub>2</sub>MA, yielding copolymers with cloud points within the physiologically relevant range of 30–40 °C. The resulting NPs exhibited sharp and reversible swelling/shrinking behavior in response to pH and temperature stimuli, with sizes below 182 nm and narrow polydispersity indexes. The core–shell architecture was stabilized by a dodecyl-functionalized chain transfer agent, ensuring efficient self-assembly and robust encapsulation of both hydrophilic and hydrophobic drugs. Drug release studies with 5-fluorouracil (5-FU) and the drug-mimetic fluorescein isothiocyanate (FITC) confirmed a marked temperature-triggered release above the LCST and enhanced diffusion in mildly acidic conditions (pH < 6), characteristic of solid tumors. Cellular studies on HeLa and ovarian adenocarcinoma OVCA433 lines revealed rapid internalization, high biocompatibility, and a significant increase in therapeutic efficacy of 5-FU when delivered via NPs, compared to the free drug. These findings highlight the potential of the dual-responsive nanoplatform for targeted and controlled delivery in the treatment of cervical and ovarian cancers. Nanocarriers ; Copolymer ; Amphiphile ; Lower critical solution temperature ; Nanoparticle ; Methacrylic acid ; Micelle ; Drug delivery ; Chain transfer ; Dispersity Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Hydrogels: synthesis, properties, applications
Authors: Michał Mońka | Daria Grzywacz | P. Kamiński | Piotr Pander | Andrew P. Monkman | Illia E. Serdiuk
Source: ChemRxiv (article, 2025-08-30)
Field: Materials Science — Materials Chemistry

The Taming of the Shrew: Using Mild Heavy-Atom Effect for Constraining Molecular Vibrations in a Triphenylamine Donor-Acceptor System for Enhanced Photo- and Electroluminescence Achieving efficient triplet harvesting remains a key challenge in the development of all-organic red and near-infrared (NIR) thermally activated delayed fluorescence (TADF) emitters. In this study, we demonstrate how strategic ortho-chlorine substitution in a triphenylamine (TPA)-based donor-acceptor (D-A) system significantly improves reverse intersystem crossing (rISC) efficiency by simultaneously reducing the singlet-triplet energy gap (ΔEST) and enhancing spin-orbit coupling (SOC). Through combined spectroscopic and theoretical analysis, we reveal that chlorine-induced molecular distortion of two side phenyl rings of TPA and increased rigidity lead to lower reorganization energies, while collectively these factors facilitate an over 20-fold enhancement in rISC rates. Notably, the modified emitter (diClDa-CNBPz) exhibits higher photoluminescence quantum yield, reduced sensitivity to external media, and optimized triplet harvesting via both 3CT-1CT and 3LE-1CT pathways. The latter is responsible for the enhanced SOC owing to a heavy-atom effect. When incorporated into OLEDs, diClDa-CNBPz achieves twice the external quantum efficiency and a fourfold reduction in efficiency roll-off compared to the unsubstituted counterpart. Additionally, its application in NIR hyperfluorescent OLEDs further underscores the benefits of enhanced triplet harvesting. These findings highlight halogen substitution as a powerful tool for fine-tuning TADF materials, paving the way for next-generation high-performance optoelectronic devices. Triphenylamine ; Electroluminescence ; Acceptor ; Photochemistry ; Atom (system on chip) ; Shrew ; Materials science ; Chemistry ; Optoelectronics ; Physics ; Nanotechnology ; Computer science ; Embedded system ; Biology Luminescence and Fluorescent Materials ; Molecular Junctions and Nanostructures ; Organic Light-Emitting Diodes Research
Authors: Haja Tar | Lotfi Béji | Lama M. Alhomaidan | Abrar S. Alnafisah | Noura Kouki | Fahad M. Alminderej | Lotfi M. Aroua
Source: Arabian Journal for Science and Engineering (article, 2025-11-07)
Field: Chemistry — Organic Chemistry

Simultaneous Photocatalyst for Radical Polymerization and Gold Nanoparticle Synthesis via a Cu(II)-Schiff Base Benzimidazole Complex Ethylene glycol ; Colloidal gold ; Nanoparticle ; Polymerization ; Radical polymerization ; Triethylamine ; Nanocomposite ; Polymer Advanced Polymer Synthesis and Characterization ; Photopolymerization techniques and applications ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Fuli Wang (53208) | Tianwei Lan (12244481) | Xiaonan Hu (1235328) | Aling Chen (2009503) | Xin Chen (14149) | Xinrui Xu (10908801) | Mengxue Wang (8173566) | Ming Xie (420493) | Yongjie Shen (6707285) | Penglu Wang (6448004) | Dengsong Zhang (1366407)
Source: Figshare (article, 2025-08-04)
Field: Materials Science — Materials Chemistry

Cl-ResistantSynergistic Removal of NO<sub><i>x</i></sub> and Chlorobenzeneover SmMn<sub>2</sub>O<sub>5</sub>‑Zeolite Composite Catalysts Synergistic catalytic removal (SyCR) of NO<sub><i>x</i></sub> and chlorinated volatile organic compound (CVOCs) emission from nonelectric industries is effective to suppress PM<sub>2.5</sub> and ozone complex air pollution. Catalysts with balanced competence to reduce NO<sub><i>x</i></sub> and oxidize CVOCs, as well as the resistance to chlorine poisoning, are critical to SyCR. Here, neighboring effects over SmMn<sub>2</sub>O<sub>5</sub> mullite (SMO) modified by HZSM-5 composite catalysts (SMO-Z) were demonstrated in the Cl-resistant SyCR of NO<sub><i>x</i></sub> and chlorobenzene (CB, a representative CVOCs). Characterizations demonstrated that HZSM-5 modification did not alter the crystal structure of SMO and retained Mn–O–Mn–Mn active sites for the SyCR of NO<sub><i>x</i></sub> and CB. HZSM-5 regulated the redox ability of SMO-Z to reduce the formation of inert nitrate species and to promote the N<sub>2</sub> selectivity. Acidic HZSM-5 acted as dechlorination sites to promote the breakage of the C–Cl bond via the nucleophilic substitution reaction and accelerated the formation of HCl to avoid Cl poisoning on catalysts. The fine-tuned compensation of surface acidity by HZSM-5 suppressed the competitive adsorption of NH<sub>3</sub> and CB on SMO-Z, which promoted NO<sub><i>x</i></sub> reduction at high temperatures, whereupon neighboring effects between HZSM-5 acidic dechlorination sites and SMO active redox sites on SMO-Z capitally promoted the SyCR efficiency and antichlorination poisoning performance. Chlorobenzene ; Catalysis ; Adsorption ; Redox ; Chlorine ; Active site ; Hydrolysis ; Composite number Catalytic Processes in Materials Science ; Industrial Gas Emission Control ; Environmental remediation with nanomaterials
Authors: Dayi Yang | Fanfan Shi | Hongshi Zhao | Yingliang Tian | Zhiyong Zhao
Source: Journal of the American Ceramic Society (article, 2025-09-16)
Field: Materials Science — Ceramics and Composites

MD simulation of microstructure evolution and stress‐field modulated crack propagation in LAS glass via ion exchange Abstract As a widely used screen protection material, chemically strengthened alkali‐aluminosilicate glass exhibits non‐uniform and anisotropic mechanical behavior due to complex prestress distribution. In this study, based on the large‐scale atomic/molecular massively parallel simulator, both a nanoscale uniform ion exchange model and a sub‐microscale gradient exchange model were developed to investigate the effects of Li + –Na + and Na + –K + ion exchange on the microstructure and crack behavior of lithium aluminosilicate glass. Results show that the glass network remains stable after ion exchange, while modifier bonds are fine tuned. Li + makes the bond length of Li–O gradually recover after the initial shortening due to high polarization, while Na–O and K–O bonds stretch with strain. The preferential fracture of Si–O–Al bond leads to the change of Al 3+ coordination. Mechanical properties show a non‐monotonic trend with increasing exchange rate, driven by competing effects of the high polarization ability of Li + and the stuffing effect of larger ions such as Na + and K + . At the sub‐microscale, deeper ion exchange increases surface compressive stress and inhibits crack propagation, but also induces tensile stress concentration inside, which can promote crack propagation when excessive. This work provides insights into multi‐scale mechanical behavior of chemically strengthened glass and supports process optimization. Microstructure ; Anisotropy ; Ion exchange ; Ultimate tensile strength ; Ion ; Fracture mechanics ; Polarization (electrochemistry) ; Work (physics) Glass properties and applications ; Thin-Film Transistor Technologies ; Silicon and Solar Cell Technologies
Authors: Muhammad Irfan | Fatma A. Ibrahim | Mohamed S. Hamdy | Shams A.M. Issa | Hesham M.H. Zakaly
Source: Pramana (article, 2025-07-25)
Field: Materials Science — Materials Chemistry

Predicting suitable optoelectronic, mechanical and transport properties of phosphide crystals for energy applications using accurate first-principles computations Materials science ; Computation ; Phosphide ; Optoelectronics ; Indium phosphide ; Energy (signal processing) ; Gallium phosphide ; Engineering physics ; Computer science ; Physics ; Gallium arsenide ; Algorithm ; Quantum mechanics Advanced Thermoelectric Materials and Devices ; Chalcogenide Semiconductor Thin Films ; 2D Materials and Applications
Authors: Binbin Zhang | Qingqing Cheng | Jinyu Ding | Jian Yang | Yunlong Tao | Xuehao Sun | Xinhui Wang | Longxin Liu | Zixuan Yang | Sujing Zhang | Guizeng Yang | Lichao Sun | Qingfeng Zhang
Source: Nano Letters (article, 2025-12-26)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Stimuli-Responsive Tunable Circular Dichroism Using Intrinsically Chiral Plasmon-Polyaniline Hybrid Nanostructures Active chiral plasmonics holds significant potential in the dynamic manipulation of light polarization states that can be applied to sensors, smart windows, and switchable polarizers. However, the construction of active chiral plasmonic substrates with excellent stability and reversibility in a broad spectral range remains a significant challenge. Herein, we demonstrate the construction of a chiral plasmon-polymer system using chiral AuAg nanorods and polyaniline for the stimuli-responsive tunable circular dichroism. By tuning the polyaniline shell and the chiral Au cores with distinct geometric chirality, we demonstrate the wide applicability of the chiral plasmon-polymer structure in achieving a broad spectral range of active chiral plasmons. Moreover, the stimuli-responsive chiroptical switches using a chiral plasmon-polyaniline structure were also achieved at the single-particle level. The ability to fine-tune the chiroptical switching using intrinsically chiral plasmonic nanoparticles opens up unique opportunities for the dynamic manipulation of light polarization states toward active chiroptical applications. Plasmon ; Circular dichroism ; Optically active ; Nanorod ; Polyaniline ; Circular polarization ; Nanostructure Metamaterials and Metasurfaces Applications ; Synthesis and Properties of Aromatic Compounds ; Plasmonic and Surface Plasmon Research
Authors: Qingyun Wu (2320489) | Shasha Geng (313242) | Adong Qiao (22385557) | Siyu Wang (696358) | Jinping Yuan (6760919) | Yun He (40953) | Zhang Feng (366258)
Source: Figshare (article, 2025-10-07)
Field: Chemistry — Organic Chemistry

Controllable ReductiveAlkylation of Monodentate PhosphineLigands under Iron Catalysis Unsymmetrical aryldialkylphosphine ligands, characterized by their electron-rich and sterically hindered nature, play a pivotal role in the fine-tuning of transition-metal catalysts during catalytic processes. However, their synthesis remains challenging via conventional approaches. Herein, we report an iron-catalyzed reductive cross-coupling of aryldialkylphosphine ligands with alkyl bromides under mild conditions and successfully extend this strategy to diarylalkylphosphines. Utilizing a well-designed iron/diboron catalytic system that promotes the selective cleavage of C(alkyl)–P bonds via the alkyl substituent exchange, this method enables the efficient transformation of readily available monophosphines into structurally diverse tertiary phosphine ligands. The protocol accommodates late-stage functionalization of bioactive phosphines and offers a versatile platform for the diversification of sterically hindered ligands, including Buchwald-type scaffolds, thereby highlighting its utility in transition-metal-catalyzed coupling reactions. Mechanistic studies suggest that borylation of the C(alkyl)–P bond governs the selective C–P bond cleavage, driving the reductive alkylation of phosphines. These findings not only deepen our understanding of iron-catalyzed reductive coupling processes but also inspire the development of new carbon–heteroatom bond-forming strategies using iron/diboron catalysis. Reductive elimination ; Alkylation ; Phosphine ; Catalysis ; Steric effects ; Borylation ; Alkyl ; Denticity Catalytic Cross-Coupling Reactions ; Organoboron and organosilicon chemistry ; Catalytic C–H Functionalization Methods
Authors: Martín Eduardo Villanueva | Jean Marie Ruysschaert | Jehan Waeytens | Ana María Bouchet | Patricia Losada Pérez
Source: SSRN Electronic Journal (preprint, 2025-01-01)
Field: Materials Science — Biomaterials

Tuning the Spontaneous Formation of Helical Lipid Nanotubes by Bilayer Compositional Control Bilayer ; Lipid bilayer ; Nanotechnology ; Biophysics ; Materials science ; Chemistry ; Chemical physics ; Membrane ; Biochemistry ; Biology Supramolecular Self-Assembly in Materials ; Lipid Membrane Structure and Behavior ; RNA Interference and Gene Delivery
Authors: Janardhan Reddy D | Durán Pérez-Navarro A | SUSLOV E.V.
Source: International Journal of Research in Pharmacy and Allied Science (article, 2025-01-01)
Field: Chemistry — Spectroscopy

A Review: Analytical Methods of Antibiotic Drug Tigecycline A rapid, accurate, simple, and reproducible UV, HPLC, and stability-indicating spectroscopic method has been developed for the quantitative estimation of Tigecycline in both bulk drug and pharmaceutical dosage forms. A selective, precise, and stability-indicating high-performance liquid chromatography (HPLC) method was established and validated for analyzing Tigecycline in its pharmaceutical formulation. The method was validated in accordance with ICH guidelines to ensure its reliability. HPLC remains the most widely adopted technique for separating, identifying, and quantifying pharmaceutical compounds. To optimize the analytical method, several chromatographic parameters were fine-tuned, including sample preparation, selection of mobile phase, choice of column, and detection system. This paper aims to present a detailed overview of the method development, optimization, and validation procedures. Tigecycline ; Antibiotics ; Drug ; Medicine ; Intensive care medicine ; Microbiology ; Pharmacology ; Biology Analytical Chemistry and Chromatography ; Antibiotics Pharmacokinetics and Efficacy ; Protein Interaction Studies and Fluorescence Analysis