jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Haider A.J. Almuslamawy
Source: Asian Journal of Advanced Research and Reports (article, 2025-05-08)
Field: Materials Science — Polymers and Plastics

Green Chemistry Strategies to Enhance the Thermal Stability of PVC: A State-of-the-Art Overview on Plant Oil-Derived Stabilizers Polyvinyl chloride (PVC) finds use in various industries due to its versatility but is not thermostable, serving as a barrier to causing degradation and release of hydrochloric acid (HCl) under heat stress conditions. Lead and organotin compounds have traditionally been used for stabilizer purpose to discourage such degradation but pose serious ecological as well as health risks. As a counter measure, bio-based stabilizers from plant oils have become popular as a green and sustainable alternative. This review looks back at recent developments in plant oil-based stabilizers for PVC, focusing on the mechanisms of stabilization, sustainability, and cost-effectiveness. We review plant oils such as tung oil, castor oil, and soybean oil, with their ability to improve the thermal stability of PVC. Although promising outcomes, there are still challenges to overcome, such as compatibility with the PVC matrix and scalability. This review presents a comprehensive summary of the current status of plant oil-based stabilizers and provides insights into directions for future research. Thermal stability ; Chemistry ; State (computer science) ; Thermal ; Polymer science ; Chemical engineering ; Biochemical engineering ; Nanotechnology ; Organic chemistry ; Materials science ; Engineering ; Computer science ; Thermodynamics ; Physics Polymer Science and PVC
Authors: Alison Biester | Chenghua Shao | Zukang Feng | Ezra Peisach | Jasmine Young | wwPDB Team | Stephen K. Burley
Source: Structural Dynamics (article, 2025-09-01)
Field: Chemistry — Spectroscopy

Improving Data Representation of Metalloproteins in the Protein Data Bank The Protein Data Bank (PDB) was established in 1971 as the first open-access digital data resource in biology, initially comprising just seven X- ray crystal structures of proteins. Today, the archive houses more than 225,000 experimentally-determined three-dimensional (3D) structures of biological macromolecules that are freely used by many millions of PDB data consumers worldwide. This wealth of information serves as a cornerstone for research and education endeavors across fundamental biology, biomedicine, biotechnology, and the energy sciences. The Worldwide Protein Data Bank partnership (wwPDB, wwpdb.org) includes five core members (RCSB PDB, PDBe, PDBj, BMRB, and EMDB) and one associate member (PDBc). The wwPDB jointly manages the PDB, EMDB, and BMRB core archives, which adhere to the FAIR (Findability, Accessibility, Interoperability, Reusability) principles emblematic of responsible data stewardship. Metalloproteins represent an important subset of the archive holdings, constituting more than one-third of PDB structures. Accurate chemical descriptions of metal-containing ligands and their interactions with proteins are valuable to researchers studying these metals in biological processes (e.g., respiration, photosynthesis, enzymatic catalysis). The wwPDB faces challenges in providing consistent chemical descriptions for metal ligands. Oxidation state cannot be determined from 3D structure alone, and coordination geometry can change between the compound initially incubated with a protein and the final protein-bound form of the molecule. However, these are key data for understanding the metal function and reactivity in the protein environment. To uphold organizational imperatives of consistency and accuracy across the PDB, we are working to address challenges in metal ligand data representation through a “remediation” project spanning the entire archive. Here, we describe our efforts to improve metal ligand accuracy through correcting chemical definitions and to enhance metalloprotein annotation through a new data model. Both the corrections and the enhanced annotation are enabled by adoption of software developed by the metalloprotein research community. Protein Data Bank ; Protein Data Bank (RCSB PDB) ; Representation (politics) ; Consistency (knowledge bases) ; Collaboratory ; External Data Representation ; Metadata ; Cornerstone ; Data integration ; Protein crystallization Advanced Proteomics Techniques and Applications ; Gene expression and cancer classification ; Machine Learning in Bioinformatics
Authors: Xiaolong Bai | Zhijun Wang | Ziyi Cao | John Zhen
Source: Frontiers in Bioengineering and Biotechnology (review, 2025-11-07)
Field: Materials Science — Biomaterials

Iron oxide nanoparticles empowering melanoma therapy: advances in multifunctional platform research Melanoma, one of the most aggressive types of skin cancer, has exhibited a continuously rising incidence worldwide, accompanied by a significant mortality risk. Despite ongoing advances in therapeutic approaches, effective and definitive clinical interventions remain limited, severely restricting long-term patient prognosis. In recent years, nanotechnology-based tumor therapies have demonstrated tremendous potential. Among them, iron oxide nanoparticles (IONPs), owing to their excellent biocompatibility, magnetic responsiveness, low cost, and scalability in synthesis, have emerged as a highly promising nanoplatform for melanoma treatment. This review systematically summarizes the physicochemical properties of IONPs and their tumor-targeting mechanisms, with a particular focus on recent advances in their applications for melanoma, including drug-targeted delivery, hyperthermia, Photodynamic therapy (PDT), Chemodynamic therapy (CDT), immunotherapy, and combination therapies. Additionally, the review discusses current challenges and provides perspectives on the future development of IONPs for precision melanoma therapy. Iron oxide nanoparticles ; Photodynamic therapy ; Melanoma ; Magnetic nanoparticles ; Clinical Practice ; Nanomedicine Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications
Authors: R. D. Karelin | В. С. Комаров | V. V. Cherkasov | А.П. Осокин | K. V. Sergienko | V. S. Yusupov | В. А. Андреев
Source: Metal Working and Material Science (article, 2025-09-15)
Field: Materials Science — Materials Chemistry

Production of rods and sheets from TiNiHf alloy with high-temperature shape memory eﬀect by longitudinal rolling and rotary forging methods Introduction. Ti-Ni based shape memory alloys (SMAs) are functional materials that find widespread practical application in engineering and medicine. Functional properties of Ti-Ni based alloys are sensitive to the chemical composition. To develop alloys with specific properties, ternary SMAs are being actively developed. For example, TiNiHf ternary alloys are characterized by a high-temperature shape memory effect. Today, there is a demand for SMAs used in the production of functional elements with a response temperature of more than 120 °C. These alloys must also have sufficient ductility to obtain deformed semi-finished products for the subsequent manufacture of heat-sensitive functional elements. Also among the current issues of developing the practical application of TiNiHf alloys is the lack of technological schemes for obtaining semi-finished products from TiNiHf SMAs. The purpose of this work is study the feasibility of conducting deformation processing of the studied TiNiHf alloys with a high-temperature shape memory effect and to identify the relationships between phase composition and mechanical characteristics and the applied processing method. In this work, the possibility of producing sheets and rods from TiNiHf alloys with 5 and 10 at.% Hf and 50.0 at.% Ni by longitudinal rolling, caliber rolling, and rotary forging was investigated. The research methods were: X-ray analysis, differential scanning calorimetry, and measurement of Vickers hardness. Results and discussion. It was found that the TiNiHf alloy with 10 at.% Hf has insufficient ductility. From the alloy with 5 at.% Hf, blanks in the form of sheets and rods of various sizes were obtained by using longitudinal rolling and rotary forging processes. It was shown that hot deformation allows increasing the hardness of the studied TiNiHf alloy with 5 at.% Hf compared to the cast state, from 232 HV to 242–264 HV. Cold deformation leads to a significant increase in hardness values up to 362–394 HV. Characteristic temperatures of the forward and reverse martensitic transformation are quite stable. The obtained results indicate the potential of using longitudinal rolling and rotary forging to obtain semi-finished products of TiNiHf alloys with 5 at.% Hf and to improve the functional and mechanical properties of the alloy after smelting. Shape-memory alloy ; Forging ; Rod ; Alloy ; Ductility (Earth science) ; Deformation (meteorology) ; Ternary operation ; Work (physics) Shape Memory Alloy Transformations ; Metallurgy and Material Forming
Authors: Hadi Gheybalizadeh | Saeedeh Khadivi-Derakhshan | Masoud Gazizadeh | Mahmood Ershadi | Jafar Soleymani | Amir Ali Mokhtarzadeh
Source: Scientific Reports (article, 2025-12-23)
Field: Materials Science — Materials Chemistry

Synthesis of terbium and silica modified graphene quantum dots for targeted bioimaging of breast cancer cells using folate receptors The overexpression of folate receptors (FR) on the surface Michigan Cancer Foundation 7 (MCF-7) cancer cells offers a strategic target for enhancing cancer imaging and diagnostic accuracy due to their high affinity toward folic acid (FA). Graphene quantum dots (GQDs) were synthesized via thermal pyrolysis and chelated with terbium (Tb) ions. These Tb-GQDs were then coated with a silica layer and functionalized with FA, resulting in a fluorescent nanoprobe specifically designed for targeted bioimaging of FR-positive cells. The synthesized Tb-GQDs-SiO<sub>2</sub>-APTES-NH<sub>2</sub>-FA nanoprobe demonstrated intense fluorescence emission at 425 nm upon excitation at 310 nm. Characterization of the nanoprobe revealed a high quantum yield (QY) of 29%, along with excellent photostability and favourable optical properties, establishing its efficacy as a tool for specifically targeting FR on MCF-7 cancer cells. Qualitative analysis via fluorescence microscopy confirmed the successful and specific uptake of Tb-GQDs-SiO<sub>2</sub>-APTES-NH<sub>2</sub>-FA by MCF-7 cells, which was evaluated across varying incubation times and concentrations. Cytotoxicity assays further confirmed the biocompatibility of the nanoprobe at concentrations up to 1000 µg/mL, with cell viability remaining above 90%. These findings collectively suggest that Tb-GQDs-SiO<sub>2</sub>-APTES-NH<sub>2</sub>-FA holds significant potential for future in vivo cancer cell imaging applications. In conclusion, the Tb-GQDs-SiO<sub>2</sub>-APTES-NH<sub>2</sub>-FA nanoprobe represents a promising and biocompatible platform for the targeted bioimaging of cancer cells, with strong implications for improving diagnostic precision in breast cancer. Nanoprobe ; Biocompatibility ; Terbium ; Cancer cell ; Fluorescence ; Quantum dot ; Graphene ; Fluorescence-lifetime imaging microscopy ; Cancer Carbon and Quantum Dots Applications ; Graphene and Nanomaterials Applications ; Nanoplatforms for cancer theranostics
Authors: Lok Cheung
Source: International journal of high school research (article, 2025-12-26)
Field: Materials Science — General Materials Science

Could 3D-Printed Plastic Replace Traditional Aerospace Materials When Producing Rockets and Satellites? Modern aerospace materials like metals are expensive, heavy, and radioactively susceptible, so they increase cost during manufacturing and space exploration and can be vulnerable in space environments.The high design freedom of 3D printing and the durability, lightweight through structural optimization and novel design, and low cost of plastic can mitigate these issues, while contributing to sustainability by creating less waste and reusing used plastic.Through a review and analysis of the existing literature on 3D printing technologies and their applications in the space environment, this research paper examines the differences between current aerospace materials and 3D-printed plastics and assesses the potential of 3D-printed plastics as an alternative to current aerospace materials.The results of this study indicate that plastics can replace current aerospace materials in some applications, such as PEEK plastics for spacecraft structural components and ULTEM for satellite components and housings, but not all applications are well-suited for plastics, since they have disadvantages such as low heat resistance and high brittleness, and some plastics are even susceptible to cosmic radiation.To mitigate some of these disadvantages in the space environment, technologies such as multi-material 3D printing, self-healing materials, and carbon nanotubes can be potential solutions.3D printing also contributes to futuristic long-term applications that only appeared in sci-fi movies before, and leads humanity into deeper space. Aerospace ; Work (physics) ; Aerospace materials ; Airframe ; Welding Material Properties and Applications ; Space Exploration and Technology ; Additive Manufacturing and 3D Printing Technologies
Authors: Wei Li | Shuhua Li | Xiangjian Shen
Source: Scientia Sinica Chimica (article, 2025-04-09)
Field: Materials Science — Materials Chemistry

Challenges and opportunities of theoretical and computational chemistry in the new era 本文总结了在国家自然科学基金委化学部科技活动专项的资助下，由南京大学和陕西理工大学联合举办的“新时代理论与计算化学的挑战和机遇”战略研讨会的学术交流内容. 首先，概述了国内外理论与计算化学领域在电子结构方法、量子计算化学、化学热力学和统计力学、量子与经典动力学、人工智能辅助的化学反应研究、人工智能在材料和生物模拟中的应用这六个方向的最新研究进展；其次，介绍了在人工智能和量子计算新时代下理论与计算化学面临的挑战；最后，面向我国重大战略发展需求，凝练了近5~10年的重大关键科学问题. Psychology Machine Learning in Materials Science ; Molecular spectroscopy and chirality ; Computational Drug Discovery Methods
Authors: Boonphop Chaisrikhwun | Pornnapat Auttavetin | Attasith Parnsubsakul | Sanong Ekgasit | Prompong Pienpinijtham
Source: Advanced Materials Interfaces (article, 2025-09-09)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Engineering Gap‐Enhanced Raman Tags for High‐Performance Security Inks: A Focus on Raman Tag Density and Stability Abstract Gap‐enhanced Raman tags (GERTs) represent a promising class of nanomaterials for security ink applications, offering superior anti‐counterfeiting capabilities through their rich and distinctive surface‐enhanced Raman scattering (SERS) characteristics. A key parameter influencing their performance is the Raman tag loading density, which directly impacts the colloidal stability of the GERT ink, the critical factor for ensuring uniform ink, long‐term reliability, and retention of SERS performance under various environmental conditions. Therefore, the loading density of Raman tags is optimized, and the effects of 4‐(2‐hydroxyethyl)‐1‐piperazineethanesulfonic acid (HEPES) buffer and chloroauric acid (HAuCl 4 ) concentrations during shell formation are investigated to enhance SERS activity without compromising colloidal integrity. The resulting GERT inks exhibit good colloidal stability and generate strong and reproducible SERS activity when applied via handwriting on filter paper, along with invisibility, high photostability, and the capability of multiplexed steganographic encoding. Furthermore, the long‐term stability of the synthesized GERT ink is confirmed through Raman imaging after one year of ambient storage, with encoded patterns remaining detectable, thereby demonstrating the robustness of the optimized ink condition. These findings highlight the potential of GERT‐based security inks as a versatile and scalable platform for practical applications in secure labeling, document authentication, and anti‐counterfeiting technologies. Raman spectroscopy ; Raman scattering ; Chloroauric acid ; Robustness (evolution) ; Nanomaterials ; Inkwell ; Scalability ; Plasmon Gold and Silver Nanoparticles Synthesis and Applications ; Biosensors and Analytical Detection ; Blockchain Technology Applications and Security
Authors: James C. Paulson | Ladonna Miller | Stephen Tuma | Molly K. Mulligan | Kenneth A. Savin | Anne M. Wilson
Source: Crystals (article, 2025-09-20)
Field: Materials Science — Materials Chemistry

Microgravity-Grown Crystals as Seeds for Pharmaceutical Compounds Polymorph formation of pharmaceutical agents continues to be a challenge for the industry. Using seeds to provide the desired polymorphic form is a practice that circumvents this obstacle. Crystals grown in a microgravity environment provide an optimal template for seeding additional crystallization. In this study, single crystals were utilized as seeds for multiple generations of the same polymorph formation for carbamazepine and atorvastatin calcium. This study shows that microgravity can provide different polymorphs than ground studies under the same conditions and that these crystals are excellent seeds for up to 10 generations of crystal growth. Seeding ; Crystal (programming language) ; Seed crystal ; Crystallization ; Polymorphism (computer science) Crystallization and Solubility Studies ; Analytical Chemistry and Chromatography ; Chromatography in Natural Products
Authors: Oleksandr Siora | Volodymyr Lukashenko | Artemii Bernatskyi
Source: History of science and technology (article, 2025-06-30)
Field: Materials Science — General Materials Science

An interdisciplinary study of the effect of laser radiation on carbon fiber-reinforced polymer, in the context of counteracting unmanned aerial vehicles This article presents an interdisciplinary study that combines historical analysis and experimental research to explore the vulnerability of military drones made from carbon fiber-reinforced polymer to destruction by laser radiation. The work is structured around two interconnected areas: the historical evolution of carbon fiber-reinforced polymer use in military drone construction and the parallel development of high-energy laser systems as precision countermeasures. The historical section traces the trajectory of carbon fiber composites from their initial applications in aerospace and defense industries during the late 20th century to their widespread adoption in military unmanned aerial vehicles, driven by the need for lightweight, durable, and radar-evading materials. Special attention is given to geopolitical, technological, and strategic factors that influenced the increasing reliance on carbon fiber-reinforced polymer for enhancing drone performance in terms of range, payload, and survivability. In parallel, the article examines the emergence of directed energy weapons, focusing on laser systems, as a response to the limitations of conventional kinetic countermeasures in neutralizing fast, small, and low-observable drones. The study outlines how the military’s growing concern with swarm attacks and stealth unmanned aerial vehicles has accelerated investments in laser-based air defense systems capable of engaging airborne targets with high accuracy and low operational cost. The experimental component investigates the mechanisms of laser-induced damage in carbon fiber-reinforced polymer materials through controlled laboratory tests, during which samples are exposed to varying intensities and durations of laser radiation. The results are analyzed to determine the energy thresholds and exposure conditions that lead to effective material destruction. By synthesizing historical and experimental data, the article provides a comprehensive understanding of how past material choices have shaped current vulnerabilities in drone technology and how modern laser systems are specifically adapted to exploit those weaknesses. This integrated approach not only bridges the gap between history and applied science but also contributes to the development of more effective and informed counter-drone strategies in contemporary and future military operations. Context (archaeology) ; Laser ; Materials science ; Radiation ; Carbon fiber reinforced polymer ; Polymer ; Carbon fibers ; Aerospace engineering ; Environmental science ; Engineering physics ; Remote sensing ; Optics ; Composite material ; Engineering ; Physics ; Geology ; Reinforced concrete Material Properties and Applications ; Advanced Measurement and Detection Methods ; Laser Material Processing Techniques
Authors: B. E. Ugo | F. U. Nweke | P. A. Nwofe | N. W. Brown-Okporie | C. I. Nworie
Source: Journal of applied science and environmental management (article, 2025-12-31)
Field: Materials Science — Materials Chemistry

Phytochemical Composition and Green Corrosion Inhibition of Ficus ottoniifolia (Hedge Fig) Leaf for Mild Steel in Acidic Media This objective of this paper was to evaluate the phytochemical composition and green corrosion inhibition of Ficus ottoniifolia (Hedge fig) leaf extract for mild steel in 1.0 M HCl using appropriate standard techniques including weight-loss measurements and electrochemical impedance spectroscopy (EIS). Data obtained show that the phytochemical constituents are terpenoids (39.59%) and flavonoids (18.86%), alongside saponins, glycosides, alkaloids, phenols, tannins, and steroids (3.73%) respectively. Weight-loss data showed corrosion rates decreasing with immersion time and extract volume (5-20 mL), with peak inhibition efficiency (~160 hours) attributed to Langmuir isotherm adsorption forming protective films that block HCl attack. EIS Nyquist and Bode plots confirmed charge-transfer control, with semicircle enlargement and elevated Rct (peaking at 672 hours with 20 mL extract) due to terpenoid van der Waals interactions, flavonoid chelation, and saponin surfactant effects, modeled through constant phase elements (CPE). The extract achieved sustained inhibition through mixed anodic/cathodic mechanisms and antioxidant synergy, offering an eco-friendly alternative for acidic corrosion protection. Corrosion ; Dielectric spectroscopy ; Phytochemical ; Terpenoid ; Adsorption ; Flavonoid ; Pulmonary surfactant ; Cellulose Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Hydrogen embrittlement and corrosion behaviors in metals