jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shashi B. Rana
Source: International Journal for Research in Applied Science and Engineering Technology (article, 2025-05-27)
Field: Materials Science — Materials Chemistry

Tailoring ZnO Emission for UV Devices: Enhanced Photoluminescence through Thiophenol Surface Capping In this research, the optical characteristics of ZnO nanoparticles modified with 4-aminothiophenol were thoroughly examined. The surface modification was achieved through colloidal synthesis, employing a wet chemical precipitation method with carefully selected precursors. The attachment of 4-aminothiophenol molecules to the ZnO nanoparticle surfaces resulted in significant changes to their optical behaviour. These surface-modified nanoparticles were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), and Fourier-transform infrared (FTIR) spectroscopy. Optical analysis was conducted using UV-Visible absorption and photoluminescence (PL) spectroscopy. The study focused on understanding the underlying mechanisms behind the observed changes in fluorescence and absorption properties. Notably, the surface capping led to a marked enhancement of near-band-edge ultraviolet (UV) emission and a significant suppression of the defect-related green luminescence in the PL spectra. This enhancement indicates that surface defects, such as oxygen vacancies, were effectively passivated by the capping agent. The improved optical performance highlights the potential of these modified ZnO nanoparticles for advanced optoelectronic applications, including UV lasers and LEDs. Overall, the use of 4-aminothiophenol as a capping agent was shown to play a critical role in tuning the optical properties of ZnO nanoparticles. Photoluminescence ; Thiophenol ; Materials science ; Optoelectronics ; Nanotechnology ; Chemistry ZnO doping and properties ; Ga2O3 and related materials
Authors: HEPZI PRAMILA JUSTIN | NANCY BEAULAH RATHINAM | Kannan Balan | V. Velu
Source: Romanian Journal of Biophysics (article, 2025-07-24)
Field: Chemistry — Organic Chemistry

DENSITY FUNCTIONAL THEORY-BASED STUDY OF FUSED 5, 6 - BICYCLIC HETEROCYCLES AS ANTI-ALZHEIMER’S AGENTS USING QUANTUM MECHANICAL DESCRIPTORS Ag-doped zinc hydroxide nanoparticles were synthesized using the leaf extract of Tridax procumbens through a chemical co-precipitation method.The synthesized sample was characterized using powder X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDAX), ultraviolet spectroscopy (UV), and Fourier transform infrared spectroscopy (FTIR).XRD analysis confirmed the preferential growth of Ag-doped zinc hydroxide nanoparticles with an average width of 42 nm.SEM imaging revealed that the nanoparticles exhibited a spherical morphology.EDAX spectra confirmed the elemental composition of the sample, while FTIR spectroscopy was used to analyze the stretching and bending frequencies of molecular functional groups.The UV spectrum determined the band gap energy of the nanoparticles to be 4.5 eV.Antibacterial studies demonstrated that the antimicrobial activity of the synthesized nanoparticles increased proportionally with concentration.Additionally, MTT assay results indicated significant cytotoxic activity against MDA-MB-231 cells, with Ag-doped nanoparticles exhibiting maximum effects on cell viability at a low concentration of 20 g/mL, surpassing the effects observed with Tridax procumbens extract alone. Zinc ; Characterization (materials science) ; Nuclear chemistry ; Nanoparticle ; Silver nanoparticle ; Doping ; Chemistry ; Zinc hydroxide ; Traditional medicine ; Materials science ; Nanotechnology ; Organic chemistry ; Medicine ; Optoelectronics Inorganic and Organometallic Chemistry
Authors: Kai Zhang | Yifan Li | Dayong Wang | Haifeng Lv | Xiaojun Wu | Jinlong Yang
Source: npj Computational Materials (article, 2025-12-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Exploring stable Lieb lattices in two-dimensional binary metal-inorganic frameworks: a high-throughput screening approach The Lieb lattice is fundamental in condensed matter physics for hosting exotic electronic and topological states. Through high-throughput computational screening of 1470 binary metal-inorganic frameworks (MIFs), we identified 24 stable Lieb lattice structures, including 22 new materials. These comprise 15 nonmagnetic, 2 ferromagnetic (FM) half-metals, and 7 antiferromagnetic semiconductors, with critical temperatures reaching 877 K. Key electronic features include flat bands, Dirac cones, and van Hove singularities. HfCl₂ and WO₂ are FM half-metals with large spin gaps (5.37 eV and 3.57 eV), enabling full spin polarization. Be₂C and ReF₂ exhibit nodal loops and quasi-flat bands, respectively, hosting nontrivial topology confirmed by edge-state analysis. Nine MIFs are zero-dimensional electrides with work functions as low as 2.64 eV. Thirteen structures are ground-state phases, ensuring stability. These Lieb lattices offer promising platforms for high-temperature electronic, spintronic, and topological applications. Antiferromagnetism ; Ferromagnetism ; Lattice (music) ; Binary number ; Spin (aerodynamics) ; Topology (electrical circuits) Heusler alloys: electronic and magnetic properties ; 2D Materials and Applications ; Boron and Carbon Nanomaterials Research
Authors: Saif A. Mohammed | A.P. Cole | Naznin Sultana
Source: Preprints.org (preprint, 2025-11-11)
Field: Materials Science — Biomaterials

Morphological Sensitivity of Electrospun PVP Scaffolds to Processing Parameters: Implications for Skin Tissue Engineering Electrospinning is a versatile technique for fabricating nanofibrous scaffolds that mimic the extracellular matrix (ECM), offering a biomimetic environment for tissue engineering applications. This study investigates the influence of key processing parameters, polyvinylpyrrolidone (PVP) concentration, flow rate, applied voltage, and needle diameter, on fiber formation and morphology. Electrospinning using ethanol as solvent was unsuccessful at lower PVP concentrations (40–50% w/v) due to inadequate viscosity and chain entanglement. Increasing the concentration to 60% (w/v), with a flow rate of 1 mL/h and voltage of 26 kV, enabled stable fiber formation using 15G and 18G needles. Scanning electron microscopy (SEM) and ImageJ analysis revealed significant differences in fiber diameter: 1853.90 ± 229 nm for 15G and 647.52 ± 638 nm for 18G, demonstrating the sensitivity of electrospinning to minor parameter variations. These findings underscore the importance of systematic optimization to achieve scaffolds with uniform morphology, high porosity, and interconnected architecture, which are essential for cell attachment, nutrient diffusion, and tissue integration in regenerative medicine. Electrospinning ; Tissue engineering ; Polyvinylpyrrolidone ; Nanofiber ; Fiber ; Polymer ; Scanning electron microscope ; Extracellular matrix Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; 3D Printing in Biomedical Research
Authors: Marwah A. Alfahad | Abeer M. Alsheikly
Source: Medical Journal of Ahl al-Bayt University (article, 2025-08-04)
Field: Materials Science — Materials Chemistry

Nanoparticles and Their Antimicrobial Activity: A Review Study This review rigorously evaluates the antimicrobial characteristics of diverse nanoparticles (NPs) and their potential application in active food-packaging systems. The research concentrates on four principal categories: metallic nanoparticles (Ag, Cu, Au, Se), metal-oxide nanoparticles (ZnO, TiO₂, MgO, Fe₃O₄), carbon-based nanomaterials (graphene oxide, carbon nanotubes), and polymeric nanoparticles (chitosan, PLGA, PCL). These nanomaterials demonstrate various antimicrobial mechanisms, such as the generation of reactive oxygen species (ROS), disruption of cell membranes, metabolic interference, and ion release that hinders DNA replication and protein synthesis. Silver nanoparticles exhibit remarkable broad-spectrum antimicrobial effectiveness; however, they pose cytotoxic risks at elevated concentrations. Copper and zinc oxide nanoparticles are two other options that are cheaper and less toxic. Gold and selenium nanoparticles are showing promise in fighting pathogens that are resistant to many drugs. Magnesium and titanium oxides, on the other hand, are good for the environment. Adding these nanoparticles to biopolymer or synthetic matrices makes packaging films stronger, more resistant to damage, and better at fighting germs. But there are still problems with long-term toxicity, environmental accumulation, unclear regulations, and the ability to scale up production. This review emphasises the necessity for standardised synthesis, eco-friendly manufacturing methods, and thorough toxicological evaluations to enable the secure, widespread implementation of antimicrobial nanomaterials in food preservation and public health initiatives. Antimicrobial ; Nanoparticle ; Nanomaterials ; Nanobiotechnology ; Silver nanoparticle ; Zinc Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Nanocomposite Films for Food Packaging
Authors: Jingbin Yang | Shuang Zou | Haijing Yang | Zhenping Sun
Source: Buildings (article, 2025-12-17)
Field: Chemistry — Organic Chemistry

Low-Temperature Synthesis of EPEG-Based Superplasticizers: Kinetic Optimization and Structure–Property Relationships Conventional synthesis of polycarboxylate superplasticizers (PCEs) typically relies on high-temperature processes, posing challenges for sustainable production. Ethylene glycol monovinyl polyethylene glycol ether (EPEG), characterized by the high reactivity of its vinyloxy double bond, offers a promising sustainable alternative for low-temperature synthesis. This study systematically investigates the aqueous free radical copolymerization of EPEG and acrylic acid, identifying a reaction temperature of 20 °C as the kinetic optimum that achieves a macromonomer conversion rate exceeding 95% under ambient conditions. Through the variation in five key process parameters, a clear “synthesis–structure–property” relationship was established, revealing that the weight-average molecular weight (Mw) acts as the pivotal regulator of performance. High-Mw PCEs exhibited superior initial dispersion driven by strong electrostatic repulsion and high adsorption but suffered from poor slump retention due to the rapid depletion of free polymers. Conversely, low-Mw variants, regulated by chain transfer agent dosage, significantly reduced the pore solution surface tension, thereby enhancing wetting ability and workability retention. The optimal synthesis conditions (20 °C, 4:1 acid-to-ether ratio, 2.5% initiator, 1.5% chain transfer agent) yielded PCEs with an ideal balance between initial dispersion and retention. Furthermore, the synthesis demonstrated excellent process robustness with a broad dosing window (&gt;60 min). These findings provide a vital theoretical basis for the robust and low-temperature industrial production of EPEG-based PCEs for sustainable infrastructure materials. Ethylene glycol ; Copolymer ; Polyethylene glycol ; Adsorption ; Robustness (evolution) ; Aqueous solution ; PEG ratio ; Macromonomer Advanced Polymer Synthesis and Characterization ; Polymer Nanocomposites and Properties ; Hydrogels: synthesis, properties, applications
Authors: Shijie Wang | Shanshan Xiao | Ning Li | Yue Xu | Ziyuan Song
Source: Macromolecular Bioscience (article, 2025-04-11)
Field: Materials Science — Biomaterials

Facile Preparation of Crosslinked PEG‐Polypeptide Drug Nanocarriers Through Biphasic Polymerization of Crude <i>N</i>‐Carboxyanhydrides Poly(ethylene glycol) (PEG)-polypeptide drug nanocarriers have garnered increasing attention during last decades. However, the tedious polymer synthesis and the stability issue greatly limit their further development. Herein the biphasic polymerization platform is reported for the easy access of a series of crosslinked PEG-polypeptide nanoparticles for enhanced drug loading and selective drug release. The accelerated polymerization allows for the preparation of a library of PEG-polypeptides from crude monomers with different polypeptide segments for structural optimization. Nanocarriers with redox-responsive de-crosslinking and enhanced drug loading are therefore obtained based on the model drug, doxorubicin, which exhibits selective killing of cancer cells. This study provides a synthetic method for efficient preparation of PEG-polypeptide nanocarriers, benefiting the downstream drug loading and therapeutic studies. Nanocarriers ; PEG ratio ; Ethylene glycol ; Chemistry ; Polymerization ; Monomer ; Polymer ; Drug delivery ; Combinatorial chemistry ; Nanoparticle ; Drug ; Drug carrier ; Nanotechnology ; Organic chemistry ; Materials science ; Pharmacology ; Medicine Supramolecular Self-Assembly in Materials ; Dendrimers and Hyperbranched Polymers ; Graphene and Nanomaterials Applications
Authors: SEEMA CHATURVEDI | Satish Kumar Pandey | O. P. Pandey
Source: International Journal of Scientific Development and Research (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Synthesis, Characterization, and Luminescent Properties of Europium (III) and Terbium(III) Complexes with Bis Piperazine Dithiocarbamate Ligand In this study, we report the synthesis and comprehensive characterization of europium(III) and terbium(III) chelates incorporating a bis-piperazine dithiocarbamate ligand. These lanthanide complexes were prepared through a straightforward coordination process under mild conditions and characterized using elemental analysis, FT-IR, UV–Vis spectroscopy, thermogravimetric analysis (TGA). Photoluminescence studies revealed strong, characteristic emissions from Eu³⁺ and Tb³⁺ centers, with high quantum yields of 38.7% and 44.2%, respectively. The complexes exhibited long-lived excited-state lifetimes, with decay times of 1.85 ms for Eu³⁺ and 2.23 ms for Tb³⁺. Thermal analysis demonstrated that all complexes remained stable above 250 °C. These findings highlight the significant role of the bis-piperazine dithiocarbamate ligand in enhancing the sensitization and luminescent efficiency of lanthanide centers. Overall, the synthesized complexes show great potential as functional luminescent materials for applications in sensing, optoelectronics, and bioimaging. Piperazine ; Europium ; Dithiocarbamate ; Terbium ; Ligand (biochemistry) ; Chemistry ; Luminescence ; Characterization (materials science) ; Inorganic chemistry ; Materials science ; Organic chemistry ; Nanotechnology ; Biochemistry ; Receptor ; Ion Organometallic Compounds Synthesis and Characterization ; Lanthanide and Transition Metal Complexes ; Crystal structures of chemical compounds
Authors: Yuto Aoyama | Shunichiro Ito | Kazuo Tanaka
Source: Scientific Reports (article, 2025-07-22)
Field: Materials Science — Materials Chemistry

Thermochromic luminescence of a π-conjugated polymer based on boron pyridylenolate complex Organic materials with luminochromic properties exhibit changes in their luminescent characteristics in response to alterations in environmental factors and have attracted attention as a platform because of their applicability in luminescent sensors. A series of boron pyridylenolate complexes is a promising candidate for luminochromic dyes. It has been reported that some π-conjugated polymers composed of the boron pyridylenolate complexes exhibited luminochromic behaviors induced by mechanical forces or temperature changes. However, the generality of the mechanisms and structure-property relationships of those chromic behaviors has still been veiled. Herein, we report the solution-state thermochromic luminescence of the boron pyridylenolate polymer and the effects of the steric structure on the boron atom. The mechanistic study clarified that the solution-state luminochromic properties should be derived from the changes in intermolecular interactions. In addition, we demonstrate that the combined use of this polymer and a hyperspectral camera enables the visualization of temperature distributions within fluid samples. Thermochromism ; Luminescence ; Conjugated system ; Boron ; Polymer ; Luminescent Measurements ; Materials science ; Photochemistry ; Nanotechnology ; Chemistry ; Optoelectronics ; Organic chemistry ; Composite material Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Photochromic and Fluorescence Chemistry
Authors: Daw Mohammad Abdalhadi | Nasir Ahmed
Source: مجلة العلوم الاساسية و التطبيقية (article, 2025-10-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Virtual Modelling and Electromagnetic Absorption Analysis of ZnO/SiO₂-PCL Composites Recent research has focused on developing electromagnetic wave absorbers that exhibit high absorption performance, thin thickness, low density, light weight, low cost, and a broad absorption bandwidth. In this study, a virtual model of a polycaprolactone (PCL)-based composite reinforced with varying proportions of nano zinc oxide (ZnO) and silicon dioxide (SiO₂) was developed using COMSOL Multiphysics. A rectangular waveguide structure was designed to simulate a Network Analyzer (NWA) setup used for wave transmission measurements. The complex permittivity of the composites was calculated for different ZnO and SiO₂ contents. The results revealed that the dielectric constant increased from 2.893 to 3.833, and the dielectric loss factor rose from 0.253 to 0.369 with higher filler loading. Consequently, the reflection loss (RL) decreased to 3.718 dB, while the absorption coefficient increased to 0.110, and the attenuation coefficient reached 3.2393 dB at 10 GHz for an absorber thickness of 0.003 m. These findings demonstrate the potential of PCL/ZnO/SiO₂ composites as lightweight and efficient microwave absorbing materials. Attenuation coefficient ; Permittivity ; Microwave ; Dielectric ; Transmission coefficient ; Attenuation ; Reflection coefficient ; Dielectric loss ; Composite number ; Absorption (acoustics) Electromagnetic wave absorption materials ; Dielectric materials and actuators
Authors: A.Zh. Kainarbay | Aigerim Ospanova | Zhakyp T. Karipbayev | Raigul N. Suleimen | Aizhan Akhmetova | B.N. Yussupbekova | T.T. Alibay | K.B. Zhangylyssov | Zarina Sarsenova
Source: Eurasian journal of physics and functional materials (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Synthesis and Luminescence Dynamics of CdSe and CdSe/CdS Quantum Dots The aim of the study is to analyze the luminescent properties of hexagonal quantum dots and their bridged envelope compounds under constant and temporal spectral analysis conditions. The CdSe nanoparticles were obtained by the hot injection method. To increase the radiation efficiency, CdSe/CdS core-shell structures have been synthesized, ensuring the passivation of surface defects. Steady-state optical measurements have shown that the first absorption maximum is recorded at 546.48 nm (2.26 eV), while the photoluminescence peak falls to 565.89 nm (2.19 eV). The data obtained indicate the presence of a Stokes shift of approximately 70 meV with a quantum radiation power of 21.4%. The time-resolved luminescence has three attenuation components with lifetimes of 7, 25 and 54 nanoseconds, which gives an average value of 26 nanoseconds. For CdSe / CdS nanoparticles, a noticeable increase in the lifetime of excited states is observed — up to 103 nanoseconds, which is probably due to the stabilizing effect of the polymer medium on the surface of the quantum dots. A long-wavelength peak at 742 nm exhibited a prolonged relaxation component of ~1.033 μs, associated with structural defects in the crystal lattice. These findings highlight the critical role of synthesis parameters and surface modifications in optimizing the luminescent properties of quantum dots for various applications Quantum dot ; Luminescence ; Passivation ; Photoluminescence ; Excited state ; Absorption (acoustics) ; Stokes shift ; Relaxation (psychology) ; Envelope (radar) Quantum Dots Synthesis And Properties
Authors: Surbhi Grewal | Petr Slávik | Vladimír Šindelář
Source: ChemRxiv (preprint, 2025-05-19)
Field: Chemistry — Spectroscopy

A Bambusuril Receptor Binds Chaotropic Anions in Water at Picomolar Concentrations Anionic pollutants are widespread in the environment and pose risks to human health. Due to the typically low concentrations of these species, the development of efficient receptors for their detection and removal from aqueous solutions is highly desirable. Here, we report the design and synthesis of a bambusuril receptor with markedly enhanced anion-binding affinity in water, achieved by introducing trifluoromethyl electron-withdrawing groups. The resulting fluorinated receptor is, to date, the most potent known receptor for several chaotropic anions in aqueous media. The most stable 1:1 host–guest complex in water was observed with iodide, exhibiting a relative dissociation constant of 63 pM. This complex is over three orders of magnitude more stable than any previously reported complex between an artificial receptor and inorganic anion in water. Chaotropic agent ; Chemistry ; Receptor ; Biophysics ; Biochemistry ; Environmental chemistry ; Cell biology ; Biology Analytical Chemistry and Chromatography ; Molecular Sensors and Ion Detection
Authors: Nalini Mysore Sathyakumar | Savita Sambhashivaya
Source: ENVIRO Dental Journal (article, 2025-12-30)
Field: Materials Science — Biomaterials

Next-Generation Dental Biomaterials: Role of Electrospinning in Regenerative Dentistry Electrospinning enables the fabrication of extracellular matrix-mimicking nanofibrous scaffolds with high potential for regenerative dentistry, including periodontal regeneration, pulp-dentin complex repair, oral mucosal healing, and dental implant surface modification. This review summarizes recent advances in polymer selection (synthetic for mechanical stability, natural for bioactivity, and hybrids for optimized properties), biofunctionalization with growth factors and antimicrobials, and scaffold design, based on a comprehensive analysis of electrospinning techniques, characterization methods, and preclinical studies. These scaffolds offer high porosity, large surface area, and ECM-like architecture to promote cell adhesion, proliferation, and targeted drug delivery, yielding promising regenerative outcomes in periodontal, endodontic, mucosal, and implant applications. Challenges persist in mechanical durability, reproducibility, scalability, and clinical translation, yet electrospun scaffolds provide a versatile, biomimetic alternative to conventional biomaterials by enabling selective cell responses, enhanced tissue regeneration, and localized therapeutics for improved clinical outcomes. Regenerative medicine ; Electrospinning ; Scaffold ; Regeneration (biology) ; Dental implant ; Tissue engineering Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; Bone Tissue Engineering Materials