jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yang Yu | S. H. Li | Na Yuan | Xiaorui Zhang | Xuan Gao | Ling Weng
Source: High Voltage (article, 2025-08-11)
Field: Materials Science — Materials Chemistry

Enhanced Corona Resistance and Insulation Properties of Enamelled Wire Insulating Varnish Induced by Constructed Dielectric Gradient Structured ABSTRACT In view of the requirements for high‐performance epoxy resin (EP) enamelled wire insulating varnish in the rapidly developments of new energy vehicle drive motors, the problems of localised electric field concentration due to the unevenness electric field distribution has to be solved. In this paper, to enhance the corona resistance, insulation, and mechanical properties of EP insulating varnish, the function dielectric gradient structure consists of hyperbranched polyester (HBP) inner layer and silane coupling agent (KH‐550) modified graphene oxide (GO) nonlinear layer are proposed. The results show that the introduction of HBP not only adjusts the dielectric constant of the insulating varnish but also increases the breakdown field strength significantly, and with the increase of K‐GO, the nonlinear conductivity of K‐GO/EP insulating varnish becomes more prominent. Simulation results show that the highest field strength of the structural insulating varnish with different dielectric constant gradients is reduced to 16.7 kV/mm, and the field strength difference of the inner layer is reduced to 0.3 kV/mm, which further reduces the electric field aberration of the neighbouring interfaces as compared to the pure EP insulating varnish. This work provides a new strategy for constructing the dielectric gradient structure to meet the high corona resistance and insulating varnish requirements of high‐voltage motor enamelled wire insulating varnish in actual industrial production. Varnish ; Materials science ; Composite material ; Dielectric ; Electric field ; Voltage ; Electrical engineering ; Coating ; Optoelectronics High voltage insulation and dielectric phenomena ; Aerosol Filtration and Electrostatic Precipitation ; Advanced Sensor and Energy Harvesting Materials
Authors: Esther P | Jahnavi Bhavani Kalisetti | Navya Kalisetti | R. N. J. H. Keerthi N | Sri Lakshmi Durga Sravanthi G | Devika K | Narayana Raju P | Bhaskara Raju V | Ajay Ratnam M
Source: Journal of Pharma Insights and Research. (article, 2025-12-05)
Field: Materials Science — Materials Chemistry

Nanotheranostic Structures for Diagnostics and Therapeutics in Personalized Medicine Nanotheranostics play a transformative role in biomedical engineering, merging diagnostic and therapeutic functionalities into singular nanoscale platforms to facilitate precision medicine. This convergent technique combats the limitations of conventional medical interventions by enabling simultaneous disease detection, targeted drug delivery, and real-time monitoring of therapeutic efficacy. Theranostic systems offer enhanced biodistribution and reduced systemic toxicity by leveraging the unique physicochemical properties of materials such as lipids, polymers, inorganic metals, and carbon nanostructures. The integration of imaging modalities including magnetic resonance imaging, computed tomography, and fluorescence with controlled release mechanisms allows for a "see and treat" strategy, particularly vital in oncology, neurology, and infectious disease management. Recent advancements in surface functionalization and biomarker targeting have optimized the accumulation of these agents at pathological sites, overcoming biological barriers such as the blood-brain barrier. However, the translation of these technologies from bench to bedside remains hindered by challenges related to large-scale manufacturing, long-term biocompatibility, and regulatory complexities. Research must focus on the elucidation of catalytic mechanisms, such as those found in nanozymes, and the development of sustainable synthesis methods to ensure clinical viability. This review discusses about the classification, fabrication, mechanistic principles, and clinical applications of nanotheranostic agents, highlighting their potential to redefine healthcare paradigms through adaptive and individualized treatment regimens. Bench to bedside ; Personalized medicine ; Modalities ; Precision medicine ; Therapeutic modalities ; Clinical Practice ; Nanomedicine Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Nanoparticle-Based Drug Delivery
Authors: José Aarón Rodríguez-Jiménez | Jan Patrick Calupitan | David Casanova
Source: Organic Chemistry Frontiers (article, 2025-11-27)
Field: Chemistry — Organic Chemistry

Electronic structure origins of radical character in triangular fused acenes: sextet stabilization <i>vs.</i> antiaromaticity release Triangular acenes display size-dependent radical character arising from the interplay between Clar's sextet stabilization and the release of cyclobutadiene antiaromaticity. Antiaromaticity ; Character (mathematics) ; Cyclobutadiene ; Electronic structure ; Electronic communication Synthesis and Properties of Aromatic Compounds ; Fullerene Chemistry and Applications ; Organoboron and organosilicon chemistry
Authors: Aya Khalaf | Ayad A.H. Faisal
Source: Journal of Ecological Engineering (article, 2025-11-26)
Field: Materials Science — Materials Chemistry

Sustainable production of (Ca/Al)-layered double hydroxide-alginate beads for remediation of water contaminated with amoxicillin antibiotic This work concentrates on the synthesis nano-sized calcium and aluminum layered double hydroxide (LDH) from environmental wastes and industrial by-products.Cement kiln dust (CKD) was used as a source of calcium, and waterworks treatment sludge (WTS) from water treatment plants was used as a source of aluminum.The (Ca/Al)-LDH nanoparticles have synthesized by co-precipitation method to produce a new sorbent.(Ca/Al)-LDH nanoparticles must be immobilized using sodium alginate to obtain the spherical forms named (Ca/Al)-LDH-alginate beads that were tested for the elimination of amoxicillin (AMX) antibiotic from the aquatic environment.The optimal conditions for the production of LDH that achieved the highest adsorption (calcium /aluminum ratio, pH, and the percentage of LDH in alginate beads) were studied to verify its adsorption efficiency.The study demonstrated that it is possible to remove approximately 52% of AMX under optimal synthesis conditions, which include a 1:1 ratio of Ca:Al, 20% LDH in alginate, and pH of 10.The LDH was characterized using SEM, XRD, FT-IR, EDX, TEM, and BET tests.The results demonstrate that the (Ca/Al)-LDH was formed with a unique geometric structure with surface area of 48.55 m 2 /g.Batch tests demonstrated that more than 94% of AMX can be removed with 90 minutes, pH 3, sorbent amount 0.5 g/50 mL, and speed 250 rpm, for AMX initial concentration 50 mg/L, to achieve the highest sorption capacity of 17.47 mg/g.The pseudo-second order model was used to measure the kinetic tests, and as a result, the removal process will primarily rely on the chemisorption mechanism.The regeneration process proved the possibility of using exhausted beads for ten cycles with efficiency greater than 86%. Environmental remediation ; Contamination ; Contaminated water ; Production (economics) ; Bioremediation ; Sustainable production Layered Double Hydroxides Synthesis and Applications ; Advanced oxidation water treatment ; Fluoride Effects and Removal
Authors: Wang, Xiangfei | Remmert, Jonathan | Paulus, Beate | Bande, Annika
Source: Refubium (Universitätsbibliothek der Freien Universität Berlin) (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Efficient Photo-Driven Electron Transfer from Amino Group-Decorated Adamantane to Water Nanodiamonds in water can generate solvated electrons under ultraviolet (UV) excitation, but UV light constitutes only a small portion of solar energy. To harvest solar energy in the visible range, we investigate band gap reduction via surface amino functionalization and examine its impact on photo-excited charge transfer to water. Adamantane, the smallest nanodiamond, is used as a model due to its electron emission properties. Liquid water is first represented using water dimers and then complete solvation shell structures surrounding the adamantane. By systematically analyzing different functionalized adamantane structures, we find that nitrogen serves as the primary electron donor to nearby water molecules. Furthermore, the negative electron affinity of adamantane, which determines its emission capability, is preserved with half of the amino group functionalization on the surface. Our findings motivate further experimental verification using nanodiamonds with amino-functionalized surfaces. Solvated electron ; Solvation ; Adamantane ; Electron ; Surface modification ; Ultraviolet ; Electron transfer ; Band gap ; Nitrogen Diamond and Carbon-based Materials Research ; Fullerene Chemistry and Applications ; Solar-Powered Water Purification Methods
Authors: Pinyuan Li | Fangning Ren | Xu Chen | Fang Liu
Source: ChemRxiv (preprint, 2025-06-19)
Field: Chemistry — Physical and Theoretical Chemistry

Data-Driven Recommendation of Optimal Tuning Scheme for Range-Separated Hybrid Functionals in Solution Phase Absorption Energy Prediction Time-dependent density functional theory (TDDFT) combined with range-separated hybrid (RSH) functionals and a tuned range-separation parameter γ offers a computationally economical approach for high-throughput excited state property predictions. The γ-tuning procedure in the gas phase is well established. However, no agreement on the best γ-tuning procedure has been made when considering the solvent effect with implicit solvent models like the polarizable continuum model (PCM). To answer that question, this study created a diverse dataset with 997 molecules with experimental solution-phase absorption spectra. Three γ-tuning methods, the gas phase γ-tuning (GPγT), the partial vertical γ-tuning (PVγT), and the strict vertical γ-tuning (SVγT), were evaluated for the ωPBEh functional over the entire dataset. Our findings revealed that the optimal γ-values obtained by the PVγT and the SVγT are significantly smaller than the GPγT. This trend holds consistently across all molecules in our data set, and we explained the origin of this phenomenon. TDDFT calculations with PVγT and SVγT tuned γ-values achieve superior performance compared to those using GPγT-tuned or default γ. Furthermore, we found that the smaller γ values from SVγT captured the expected 1/εr asymptotic behavior in the solution phase, resulting in accurate prediction of solution-phase CT excitations. These results show that SVγT is the best among those three schemes for UV/vis absorption calculations with the ωPBEh functional from a data-driven perspective. Time-dependent density functional theory ; Polarizable continuum model ; Hybrid functional ; Range (aeronautics) ; Absorption (acoustics) ; Polarizability ; Density functional theory ; Phase (matter) ; Excited state ; Materials science ; Absorption spectroscopy ; Computational physics ; Statistical physics ; Molecular physics ; Molecule ; Physics ; Quantum mechanics ; Optics ; Solvation Photochemistry and Electron Transfer Studies ; Machine Learning in Materials Science ; Catalysis and Oxidation Reactions
Authors: Denys Baklan | Victoria Vorobyova | Olena Sevastyanova | Taras Karavaev | Oleksiy Myronyuk
Source: Preprints.org (preprint, 2025-11-24)
Field: Materials Science — Biomaterials

Sustainable Waterborne Polylactide Coatings Enabled by Ionic Liquid Plasticization This work presents an approach to water-dispersible polylactide (PLA) particle fabrication and their application in low-temperature film formation using a combination of mechanical dispersion and ultrasonication techniques. Stable PLA dispersions were obtained after removal of surfactant and allowed for the preparation of thin films exhibiting significantly reduced minimum film-formation temperature (MFFT), particularly when plasticized. To tailor the interfacial behavior and mechanical flexibility of the resulting coatings, a set of conventional and bio-based plasticizers was evaluated, including epoxidized fatty acids, PEG-400, and several hydrophobic deep eutectic solvents (HDES) synthesized from menthol and carboxylic acids. Compatibility between PLA and each plasticizer was predicted using Hansen solubility parameters, and the efficiency of plasticization was assessed through glass-transition temperature suppression in solvent-cast films. The combination of submicron PLA particles and selected plasticizers enabled film formation at temperatures as low as 48 °C, confirming the potential of these systems for energy-efficient coating technologies. Furthermore, composite coatings incorporating micro sized cellulose fibers regenerated from agricultural residues were successfully obtained, demonstrating the feasibility of integrating bio-derived fillers into waterborne PLA formulations. This study highlights the use of water-insoluble ionic-liquid-type plasticizers for PLA dispersions and establishes a foundation for developing sustainable, low-VOC, and low-temperature PLA-based coating materials. Plasticizer ; Coating ; Eutectic system ; Sonication ; Compatibility (geochemistry) ; Composite number ; Emulsion ; Dispersion (optics) ; Ionic liquid biodegradable polymer synthesis and properties ; Polymer Foaming and Composites ; Polymer Science and PVC
Authors: Wenjing Zhu | Liangliang Zhai | Wenhao Du | Xiao Li | Zhenzhen Gao | Huan Wang | Yang Li
Source: Preprints.org (preprint, 2025-11-11)
Field: Chemistry — Analytical Chemistry

Applications of Polarization Spectroscopy in Agricultural Engineering: A Comprehensive Review Non-destructive testing (NDT) methods are playing a crucial role in modern agriculture by providing efficient, rapid, and non-invasive means of evaluating agricultural materials. This shift from traditional, often destructive, testing methods is driven by the need for better quality control, improved food safety, and the demands of intelligent and precise agriculture Polarization spectroscopy analysis (PSA) has emerged as an advanced, non-destructive testing method of growing importance in agricultural engineering. By integrating polarization characteristics with spectral data, PSA enables the detailed analysis of various agricultural products and processes.This review provides a systematic overview of the principles and key parameters of polarimetry. Furthermore, it highlights a wide range of PSA applications in agricultural materials, such as crop health assessment, pest detection, chlorophyll estimation, and the evaluation of water, nitrogen, phosphorus, and potassium content. In addition, it sheds light on further applications, including non-destructive testing of seed health and agricultural product quality, soil moisture and pollution monitoring, underwater and nighttime environmental imaging, and integration with hyperspectral and multispectral technologies.Polarization spectroscopy is an analytical technology capable of revealing physical structural information unresolved by traditional spectroscopy, especially in complex environments where it demonstrates greater resistance to interference. With its ability to monitor plant nutrition, predict seed germination, assess fruit and vegetable quality, and detect early pests and diseases, this technology holds great promise for precision agriculture. Future efforts should optimize data fusion, build efficient models, miniaturize intelligent equipment, and enhance the real-time performance and adaptability of non-destructive testing to support smart agriculture.. Agriculture ; Multispectral image ; Precision agriculture ; Adaptability ; Hyperspectral imaging Spectroscopy and Chemometric Analyses ; Optical Polarization and Ellipsometry ; Remote Sensing in Agriculture
Authors: Irfan Nazir Wani | Kanika Aggarwal | Swati Bishnoi | Pushpendra Kumar Shukla | Dineshkumar Harursampath | Ashish Garg
Source: Preprints.org (preprint, 2025-04-22)
Field: Materials Science — Materials Chemistry

Materials Used in Space Shuttle: Evolution, Challenges, and Future Prospects – an Overview The space shuttle, a revolutionary spacecraft that has played a significant role in human space exploration, was composed of various advanced materials that were carefully selected to meet the extreme demands of spaceflight. This review paper provides a comprehensive examination of the materials historically employed in the construction of space shuttles and explores the latest trends shaping the field. The evolution of space shuttle materials is traced from the inception of the space program to contemporary missions, highlighting key milestones, challenges, and breakthroughs. Emphasis is placed on the critical role that materials play in the overall performance, safety, and sustainability of space shuttles. The paper begins by elucidating the diverse requirements that materials must fulfill in the harsh and complex environment of space, encompassing extreme temperatures, radiation exposure, and mechanical stresses. A detailed analysis of the materials utilized in the fabrication of various shuttle components, such as thermal protection systems, structural elements, and propulsion systems, is presented. Special attention is given to the challenges posed by re-entry and the strategies employed to mitigate heat-related issues. Furthermore, the review explores recent innovations and emerging materials that are reshaping the landscape of space shuttle design. Advancements in nanotechnology, composite materials, and additive manufacturing are discussed in the context of their potential applications for enhancing shuttle performance and reducing mission costs. The paper also addresses the importance of sustainability in space exploration, exploring materials with lower environmental impact and improved recyclability. The review concludes with a forward-looking perspective on the future of materials, considering ongoing research, development, and the potential incorporation of cutting-edge technologies. Insights are provided into how the evolving landscape of materials science may influence the design and manufacturing processes of the next generation of space vehicles. This paper provides an overview of the materials used in the construction of the space shuttle, including their properties, applications, and challenges. The materials used in the space shuttle are critical in ensuring the safety, performance, and longevity of the spacecraft, and understanding their characteristics and performance in space is crucial for the advancement of aerospace engineering. Space Shuttle ; Space (punctuation) ; Systems engineering ; Aerospace engineering ; Aeronautics ; Political science ; Engineering ethics ; Computer science ; Engineering Silicone and Siloxane Chemistry ; Spacecraft Design and Technology ; Planetary Science and Exploration
Authors: Christina Valvi | C.P.E. Varsamis
Source: Preprints.org (preprint, 2025-07-07)
Field: Materials Science — Materials Chemistry

Application and Extension of the Short-Range Order Configuration, SROC, Model in Bismuth Borate Glasses The quantification of the short-range order (SRO) of glassy materials remains an open challenge over the years. In particular, in borate glasses this task is further complicated by the change in the B coordination number from 3 to 4 and by the formation of superstructural units. Nevertheless, in two recent articles of our group, the SRO structure of bismuth, xBi2O3-(1-x)B2O3, and zinc, xZnO-(1-x)B2O3, borate glasses was completely resolved by two completely independent methods. The first one, for Bi-borates, involved the analysis of infrared absorption coefficient spectra into Gaussian component bands whereas the second one, for Zn-borates, the application of the Short-Range Order Configuration model (SROC), an extension of the well-known lever rule. In this article, we extend the application of the SROC model in bismuth borate glasses, in the range where Bi cations were found to act predominantly as modifiers, i.e. 0.20 ≤ x ≤ 0.40. Our extension results in a modification of the originally proposed SROC model, by adding an additional node, and by defining the prerequisites for any augmented version of the model. The molar fractions of the borate units for the calculated SRO structure, in a continuous way throughout the range investigated, are in excellent agreement with existing literature data. Moreover, it is highlighted how the onset of disproportionation reactions, between borate units, can be handled in the framework of the introduced Augmented Short-Range Order Configuration model, ASROC. Bismuth ; Extension (predicate logic) ; Boron ; Order (exchange) ; Range (aeronautics) ; Materials science ; Chemistry ; Computer science ; Metallurgy ; Economics ; Composite material ; Programming language Solid-state spectroscopy and crystallography
Authors: Javeria Zaheer
Source: Acta Pharma Reports. (article, 2025-03-18)
Field: Materials Science — Materials Chemistry

Mechanism of Endothelial Dysfunction in Hypertension: Nanotechnology-Based Interventions Endothelial dysfunction represents a critical pathophysiological mechanism underlying hypertension, characterized by impaired nitric oxide (NO) bioavailability, enhanced oxidative stress, and compromised vasodilation. The endothelium normally maintains vascular homeostasis through balanced production of vasoactive mediators, but in hypertension, this equilibrium is disrupted by increased reactive oxygen species (ROS), reduced endothelial nitric oxide synthase (eNOS) activity, and enhanced vasoconstrictor production. These molecular alterations contribute to arterial stiffness, vascular remodeling, and perpetuation of elevated blood pressure.Nanotechnology-based interventions offer promising therapeutic strategies to address endothelial dysfunction in hypertension. Nanoparticle drug delivery systems enable targeted delivery of antioxidants, NO donors, and vasoprotective agents directly to endothelial cells, overcoming limitations of conventional therapies. Stimuli-responsive nanocarriers can provide controlled release of therapeutic agents in response to local oxidative stress or pH changes. Additionally, nanoparticles can be engineered with specific surface modifications to enhance endothelial targeting and minimize systemic toxicity.Recent advances include development of biodegradable polymeric nanoparticles, liposomal formulations, and biomimetic nanocarriers that can restore endothelial function through multiple mechanisms. These include delivery of antioxidant enzymes, eNOS cofactors, and anti-inflammatory agents. Furthermore, theranostic nanoparticles combining therapeutic and diagnostic capabilities enable real-time monitoring of treatment efficacy. While challenges remain regarding safety, scalability, and regulatory approval, nanotechnology-based interventions represent a paradigm shift toward personalized, precision medicine approaches for managing hypertension through restoration of endothelial function. Mechanism (biology) ; Endothelial dysfunction ; Nanotechnology ; Psychological intervention ; Medicine ; Materials science ; Internal medicine ; Epistemology ; Philosophy ; Psychiatry Advanced Nanomaterials in Catalysis