jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Leila Amiri-Zirtol | Leila Emami | Soghra Khabnadideh
Source: Asian Journal of Chemistry (article, 2025-12-31)
Field: Chemistry — Organic Chemistry

Fe3O4@SiO2@(CH2)3@4-(2-Aminoethyl)morpholine as a Reusable Magnetic Organocatalyst for Synthesis of Pyrano[3,2‑c]chromene Derivatives Along with Docking Study Pyrano[3,2-c]chromene derivatives, as an important category of heterocyclic compounds, have received much attention due to their various biological activities. Different synthetic methods using various catalysts have been reported for the synthesis of these compounds. Here, a green, magnetically separable catalyst functionalized with nitrogen-containing groups was used for the synthesis of a series of pyrano[3,2-c]chromene derivatives. The target compounds were synthesized by employing the catalytic activity of the previously synthesized composite under environmentally friendly and mild conditions. The reaction proceeded efficiently in a water/ethanol mixture within a short time and resulted in high product yields. A multicomponent reaction was used to synthesize pyrano[3,2-c]chromene derivatives from malononitrile, 4-hydroxycoumarin and various aldehydes. The purity of the final compounds was checked by melting point determination and comparison with literature values. Since pyrano[3,2-c]chromene derivatives are proposed as potential inhibitors of DNA topoisomerases, especially TOPII, in the second part of this study, a computational study was performed targeting the DNA-TOPII complex. The results revealed that some of the synthesized compounds are known to inhibit topoisomerases, supporting their role as promising anticancer agents. Catalysis ; Docking (animal) ; Reaction conditions ; Melting point ; Chemical synthesis Multicomponent Synthesis of Heterocycles ; Synthesis and biological activity ; Synthesis of heterocyclic compounds
Authors: Uddandarao Sai Pranathi | Mangalagiri Krishna Rekha | Gorle Sneha Latha | B. Deepthi
Source: International Journal of Research Publication and Reviews (article, 2025-09-01)
Field: Materials Science — Biomaterials

Smart Polymer Based Drug Delivery Systems: A Next Generation Drug Delivery Smart polymers, or intelligent or stimuli-sensitive polymers, have been of interest as promising materials for next-generation drug delivery systems.In synchronization with the natural biological response, smart polymers can reversibly change structure and function to specific stimuli like temperature, pH, light, electric or magnetic fields, and biological signals.This new responsiveness allows site-specific, controlled, and precise delivery of therapeutic agents and, in turn, their improved drug efficacy with minimal systemic side effects.Smart polymers are more stable compared with traditional polymers and can be adjusted to control how a drug is released and even allow medicines to be directed exactly where they are needed.They have been applied in many sectors including drug delivery, biosensors, tissue repair, gene therapy and regenerative treatments.Future prospects are likely to focus on combining these polymers with nanotechnology and responsive systems to create advanced tailored therapies.Overall smart polymer-based systems hold great promise for making treatments more effective and patient-friendly. Drug delivery ; Drug ; Targeted drug delivery ; Delivery system Nanoparticle-Based Drug Delivery ; Innovative Microfluidic and Catalytic Techniques Innovation ; 3D Printing in Biomedical Research
Authors: Fidjah Abdelkader | Khadidja Kolli | Abdelhak Souddi
Source: Materials Engineering and Technologies (article, 2025-12-17)
Field: Materials Science — Polymers and Plastics

Acoustic and Mechanical Characterization of Sawdust-Reinforced HDPE Composites To reduce plastic waste and integrate renewable sawdust into the circular economy, this research investigates the properties of sawdust-reinforced plastic (SRP), made from recycled high-density polyethylene (HDPE) and pine sawdust. The results show that adding sawdust to HDPE plastic reduces the density of the samples. A slight increase in compressive strength, up to 22.7 MPa, was also observed. Furthermore, the ultrasonic transmission speed decreased by 12.3%. This study suggests the potential for improving the processing of wafers and integrating them with nanomaterials to enhance their durability, as well as expanding the industrial applications of SRP. The results also provide a comprehensive experimental model that demonstrates the relationship between mixing ratios, structural composition, and function, thereby improving our understanding of the relationship between molecular structure and mechanical and acoustic properties. High-density polyethylene ; Sawdust ; Polyethylene ; Plastic waste ; Characterization (materials science) ; Acoustic emission ; Mixing (physics) ; Composite number Natural Fiber Reinforced Composites ; Polymer crystallization and properties ; Microplastics and Plastic Pollution
Authors: Shengzhe Zhuang
Source: Highlights in Science Engineering and Technology (article, 2025-06-27)
Field: Materials Science — Biomaterials

Advancements In Tumor Microenvironment-Responsive Intelligent Nanomedicine Delivery Systems for Breast Cancer Treatment Breast cancer severely threatens women's health. Traditional therapeutic approaches face numerous limitations, including an inability to overcome significant physiological and pathological barriers, as well as notable toxic side effects. Tumor microenvironment-responsive intelligent nanomedicine delivery systems leverage the characteristics of the tumor microenvironment to deliver drugs, offering new hope for breast cancer treatment. This article comprehensively reviews the research progress of these systems in breast cancer therapy, including the characteristics of the tumor microenvironment, design principles of various responsive nanomedicine delivery systems, application examples, and future directions for development. Nanomedicine ; Tumor microenvironment ; Cancer ; Breast cancer ; Medicine ; Delivery system ; Nanotechnology ; Internal medicine ; Biomedical engineering ; Materials science ; Nanoparticle Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications
Authors: Nan N. Jakobsen | Kurt V. Mikkelsen | Matthew S. Johnson
Source: Chemical Physics Letters (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Electronic excitation in manganese(II) chlorides MnCl<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si7.svg" display="inline" id="d1e736"><mml:msubsup><mml:mrow/><mml:mrow><mml:mi>n</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn><mml:mo>−</mml:mo><mml:mi>n</mml:mi></mml:mrow></mml:msubsup></mml:math> for <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si8.svg" display="inline" id="d1e751"><mml:mi>n</mml:mi></mml:math> = 1..3 This study explores the potential of manganese(II) chlorides, MnCl n 2 − n ( n =1..3), to release chlorine radicals upon light absorption at tropospheric wavelengths. UV–Vis spectroscopy and TD-DFT calculations (CAM-B3LYP/6-311++G(d,p)) were employed to analyze MnCl n 2 − n . Both experimental and calculated UV–Vis spectra show no absorption for λ > 250 nm. Photolysis experiments further confirmed the lack of chlorine radical production, suggesting that manganese(II) chlorides do not contribute to chlorine radical formation under tropospheric conditions. • The UV–Vis absorption spectra of MnCl n 2 − n for n =1..3 are investigated using both experimental techniques and TD-DFT calculations. • Photolysis chamber experiments were conducted to explore the potential for the manganese chlorides to release chlorine under irradiation. • No significant absorption of light by was observed at wavelengths longer than 250 nm. • Photolysis experiments revealed no detectable chloride production. Manganese ; Excitation ; Computer science ; Chemistry ; Physics ; Organic chemistry Luminescence Properties of Advanced Materials ; Solid-state spectroscopy and crystallography ; Advanced Chemical Physics Studies
Authors: Ramayyamma Animireddi | S. K. | D. Vinay Kumar | Uma Mahadevan | V. S. S. Subhadra. B
Source: GSC Biological and Pharmaceutical Sciences (article, 2025-07-07)
Field: Materials Science — Biomaterials

From nanoparticles to robotic pills: The evolution of nanotechnology in drug delivery By allowing exact, targeted, and patient-centric treatments, nanotechnology has revolutionized drug delivery systems (DDSs). This paper tracks the evolution from passive nanoparticles (1980s) to active nanorobots and robotic pills, describing their development processes, applications, and dosage form examples. Along with a comparative analysis of targeting accuracy, bioavailability, patient compliance, and scalability, comprehensive methods for synthesizing, fabricating, and testing each dosage form are offered. Visual aids—including a timeline (1980s–2025) and a figure comparing dosage form mechanisms—show their evolution and function. Emphasizing clinical consequences, tables summarize marketed products, clinical trials, and pros/cons. These DDSs handle conventional therapy constraints—poor bioavailability, systemic toxicity, and low compliance—all the while contending with issues including biocompatibility, legal obstacles, ethical questions, and worldwide access inequalities. Future paths emphasize nanotechnology's capacity to transform medicine by including sustainable manufacturing, fair healthcare, and AI-driven systems. Nanotechnology ; Pill ; Drug delivery ; Nanoparticle ; Materials science ; Medicine ; Pharmacology Nanoparticle-Based Drug Delivery ; Electrohydrodynamics and Fluid Dynamics ; Nanotechnology research and applications
Authors: Omar Abdelaziz Abouhussein | Ahmed Fouly
Source: Polimery (article, 2025-06-24)
Field: Materials Science — Biomaterials

Energy-efficient propeller-driven climbing robot design based on glass-fiber reinforced polymer Three techniques were investigated to optimize the performance of a propeller-driven climbing robot: i) materials optimization using glass fiber reinforced polymer (GFRP) laminates with three distinct configurations — symmetric cross-layer (0°/90°), antisymmetric cross-layer (0°/90°), and antisymmetric angle-layer (±45°), ii) optimization of the robot chassis structural topology using density-based methods, and iii) laminate thickness (0.5–3.0 mm) and fiber content (50–70 v%). Optimal performance was achieved for an antisymmetric angle-layer configuration of 2.2 mm with 60 v% fiber content, resulting in a weight reduction (6.8%). Combined with a topologically optimized chassis design (20.1% weight reduction), the entire system achieves a 23.5% weight reduction, which translates into energy savings (23.6% torque reduction and 17.3% thrust reduction) while maintaining structural integrity. These results set a new standard for energy-efficient climbing robot designs, thanks to the synergistic optimization of materials and structures. Materials science ; Propeller ; Fibre-reinforced plastic ; Glass fiber ; Composite material ; Robot ; Mechanical engineering ; Structural engineering ; Computer science ; Engineering ; Marine engineering ; Artificial intelligence Silk-based biomaterials and applications ; Soft Robotics and Applications ; Advanced Sensor and Energy Harvesting Materials
Authors: José Agustín Palmas León | L. Ramajo | Rodrigo Parra | Miguel Pérez Labra | Francisco Raúl Barrientos Hernández | Alejandro Cruz‐Ramírez | V. Acosta-Sánchez | Aislinn Michelle Teja Ruíz | Sayra Ordóñez
Source: Materials (article, 2025-10-21)
Field: Materials Science — Materials Chemistry

Effect of Ba:Ti Molar Ratio and Sintering Temperature on the Structural and Electrical Properties of BaTiO3-Type Solid Solutions, Synthesized by the Hydrothermal Method The results of the effect of the three Ba:Ti molar ratios (MR) (1:1, 2:1, 4:1) and four sintering temperatures (1250, 1275, 1300, 1325 °C) on the structural and electrical properties of BaTiO<sub>3</sub> (BT)-type ceramics synthesized by the hydrothermal method are shown. The BT phase formed was analyzed by x-ray diffraction (XRD), Raman spectroscopy (RS), dielectric and ferroelectric measurements and high-resolution scanning electron microscopy (HRSEM). For the samples synthesized using a Ba:Ti MR of 4:1 and at all sintering temperatures analyzed, XRD results confirmed the presence of the tetragonal ferroelectric phase, BT. In the same way, these results corroborated the results obtained by the RS technique. Dielectric properties measured at 100 kHz and 1 MHz over a temperature range of 30 °C-200 °C indicated a relative permittivity value of 4280 at 1 MHz and 4200 at 100 KHz at a Curie temperature of 110 °C in both cases for the sample synthesized at with a Ba:Ti MR ratio of 4:1 and sintered at 1300 °C. Ferroelectric measurements for the samples showed a best remnant polarization (Pr) of 3.5 µC/cm<sup>2</sup> for the sample synthesized with a Ba:Ti MR ratio of 4:1 and sintered at 1325 °C. The HRSEM results showed grains composed of Ba, Ti, and O homogeneously distributed in the BT structure, and a trend of increasing average grain size with increasing sintering temperature was observed. Sintering ; Dielectric ; Ferroelectricity ; Curie temperature ; Scanning electron microscope ; Raman spectroscopy ; Analytical Chemistry (journal) ; Hydrothermal circulation ; Tetragonal crystal system Ferroelectric and Piezoelectric Materials ; Electronic and Structural Properties of Oxides ; Magnetic and transport properties of perovskites and related materials
Authors: Md Samzid Bin Hafiz | Helena Silva | Ali Gokirmak
Source: ArXiv.org (preprint, 2025-02-02)
Field: Materials Science — Materials Chemistry

Modeling Filamentary Conduction in Reset Phase Change Memory Devices We performed a computational analysis on percolation transport and filament formation in amorphous $Ge_2Sb_2Te_5$ (a-GST) using 2D finite-element multi-physics simulations with 2 nm out-of-plane depth using an electric-field and temperature dependent electronic transport model with carrier activation energies that vary locally around 0.3 eV and as a function of temperature. We observe the snapback (threshold switching) behavior in the current-voltage (I-V) characteristics at ~50 MV/m electric field with 0.63 $μ$A current for 300 K ambient temperature, where current collapses onto a single molten filament with ~ 2 nm diameter, aligned with the electric field, and the device switches from a high resistance state (108 $Ω$) to a low resistance state (103 $Ω$). Further increase in voltage across the device leads to widening of the molten filament. Snap-back current and electric field are strong functions of ambient temperature, ranging from ~ 0.53 $μ$A at 200 K to ~ 16.93 $μ$A at 800 K and ~ 85 MV/m at 150 K to 45 MV/m at 350 K, respectively. Snap-back electric-field decreases exponentially with increasing device length, converging to ~ 38 MV/m for devices longer than 200 nm. Reset (finance) ; Phase-change memory ; Thermal conduction ; Materials science ; Phase change ; Phase (matter) ; Optoelectronics ; Engineering physics ; Physics ; Business ; Composite material Phase-change materials and chalcogenides ; Advanced Semiconductor Detectors and Materials ; Advanced Memory and Neural Computing
Authors: Ali Serdar Vanlı | Cansu Karakaya
Source: Preprints.org (preprint, 2025-01-20)
Field: Materials Science — Biomaterials

Investigation of the Use of Sustainable Polymers in the Industry and the Effects of Olive Seed Additives on Polymer Properties Global issues such as environmental pollution and climate change have made the use of sustainable materials in industrial production processes inevitable nowadays. The persistence of traditional polymers in nature and the inadequacies of recycling processes exacerbate the plastic waste problem. Consequently, the use of recyclable and biodegradable polymers emerges as an eco-friendly solution. Integrating sustainable polymers into industrial processes is particularly crucial for reducing plastic waste and lowering the carbon footprint. This study highlights the importance of sustainable polymer use in reducing plastic waste, based on experiments conducted at a company specializing in industrial lock manufacturing. Experimental studies on processing 30% glass fiber-reinforced recycled Polyamide 6 and 10% olive seed-reinforced ABS demonstrate how effectively eco-friendly alternatives can be utilized in industrial processes. The study includes an extensive literature review on biopolymers and a comparative properties table created because of this review. In addition to evaluating the performance of alternatives compared to traditional raw materials, the study also considers sustainability criteria such as carbon and water footprint. Polymer ; Business ; Polymer science ; Pulp and paper industry ; Materials science ; Composite material ; Engineering biodegradable polymer synthesis and properties ; Nanocomposite Films for Food Packaging ; Polymer Science and PVC
Authors: Vijayasekhar Jaliparthi | Amal S. Alali
Source: Ukrainian Journal of Physical Optics (article, 2025-01-01)
Field: Chemistry — Spectroscopy

SPECTROSCOPIC MODELLING OF PCl<sub>5</sub> AND SbCl<sub>5</sub> VIBRATIONS VIA LIE ALGEBRAIC HAMILTONIAN WITH CASIMIR AND MAJORANA OPERATORS The vibrational spectra of phosphorus pentachloride (PCl) and antimony pentachloride (SbCl), both with D3h point group symmetry, are accurately calculated using a symmetry-adapted Lie algebraic framework.This study focuses on computing the fundamental frequencies, overtones up to the second order, and combination bands using a vibrational Hamiltonian constructed from Casimir and Majorana operators, which include both harmonic and anharmonic terms.The predicted frequencies, which are in excellent quantitative agreement with experimental data, not only validate the predictions but also demonstrate the method's high accuracy in replicating the complex spectroscopic phenomena of high-symmetry molecules.These results also provide a deeper understanding of the molecular structure and atmospheric behavior of PCl and SbCl, emphasizing their roles in optical absorption and scattering processes.The findings presented here also underscore the potential of the Lie algebraic method in advancing molecular spectroscopy and solving problems in atmospheric chemistry and environmental science, inspiring hope for future research in the field. Casimir effect ; MAJORANA ; Physics ; Hamiltonian (control theory) ; Algebraic number ; Vibration ; Mathematical physics ; Quantum mechanics ; Mathematics ; Mathematical analysis Analytical Chemistry and Chromatography ; Molecular spectroscopy and chirality ; Nonlinear Optical Materials Research
Authors: Xue Xie
Source: Institutional Repositories DataBase (IRDB) (article, 2025-03-01)
Field: Materials Science — Materials Chemistry

Study on Chitosan Nanoparticle-Based Structures for Acoustic Cavitation Enhancement Chitosan ; Cavitation ; Composite number ; Process (computing) ; Displacement (psychology) Ultrasound and Cavitation Phenomena ; Ultrasound and Hyperthermia Applications ; Nanoparticle-Based Drug Delivery
Authors: Ndanduleni Lethole | Emeka Harrison Onah
Source: Preprints.org (preprint, 2025-10-29)
Field: Materials Science — Materials Chemistry

Exploration of Structural, Thermodynamic, Magnetic and Mechanical Properties of Martensite Fe&lt;sub&gt;3&lt;/sub&gt;Pt Alloys: A Density Functional Theory Study The current study explored the martensite structures of Fe3Pt alloys, specifically Cmmm-Fe3Pt, P63/mmc-Fe3Pt, P4/mmm-Fe3Pt, and R\( \overline{3} \)m-Fe3Pt, aiming to provide a comprehensive understanding of the mechanisms that govern their physical and chemical properties. We have focused on their structural, thermodynamical, magnetic, electronic, and mechanical characteristics, utilizing the Density Functional Theory (DFT) technique. Our study revealed that in addition to the previously reported austenitic cubic Pm\( \overline{3} \)m-Fe3Pt and martensite tetragonal I4/mmm-Fe3Pt with L12 structure, there exist additional Fe3Pt phases that exhibit excellent structural, thermodynamic, magnetic and mechanical properties. The calculated enthalpies of formation were found to be negative and less than -0.39 eV in all the structures considered, indicating thermodynamic stability and formation under experimental synthetic conditions. Moreover, the computed magnetic moments are in the range 2.94 to 3.04 μB, which is relatively comparable to 3.24 μB of the widely reported Pm\( \overline{3} \)m-Fe3Pt alloy. The analysis of the electronic structure also revealed strong magnetism due to the presence of asymmetry in the spin up and down states of the density of states (DOS) plots. To determine the mechanical response of Fe3Pt structures under loading conditions, we computed the independent elastic constants, macroscopic properties and stress-strain relationship under hydrostatic stress. All four phases, but the hypothetical P63/mmc-Fe3Pt showed excellent mechanical stability at ambient conditions and exceptional hardness and resistance to compression in the elastic region 0% ≤ strain ≤ 10%. This evidence is provided by satisfying the Born necessary stability conditions, large bulk modulus and a strong linear relationship fit (R2) of greater than 0.94. Magnetism ; Martensite ; Density functional theory ; Austenite ; Tetragonal crystal system ; Hydrostatic pressure ; Pseudoelasticity ; Elastic modulus ; Hydrostatic equilibrium Shape Memory Alloy Transformations ; Intermetallics and Advanced Alloy Properties ; Metallurgical and Alloy Processes
Authors: Shuangquan Qu | Rui Zhao | Ke Li | Yuan Tan | Pei Li | Biwu Liu | Jieru Yang | Wenhu Zhou
Source: Stem Cell Research & Therapy (article, 2025-09-26)
Field: Materials Science — Biomaterials

Hyaluronic acid–ornithine crosslinked hydrogel as a superior 3D culture platform for high-quality exosome production in advanced wound healing This work presents a cost-effective, scalable, and bioinspired 3D culture system for high-yield and functionally enhanced Exo production. The HA-Orn hydrogel platform offers significant translational potential for advancing cell-free regenerative therapies, particularly in the context of wound healing. Hyaluronic acid ; Exosome ; Wound healing ; Context (archaeology) ; Microvesicles ; Regenerative medicine ; Cell culture ; Tissue engineering Electrospun Nanofibers in Biomedical Applications ; Wound Healing and Treatments ; Silk-based biomaterials and applications