jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Penghao Xiao | Christine A. Orme | Siyao Qiu | Tuan Anh Pham | Seongkoo Cho | Michael Bagge‐Hansen | Brandon C. Wood
Source: Nature Communications (article, 2025-01-02)
Field: Materials Science — Materials Chemistry

Atomic-scale understanding of oxide growth and dissolution kinetics of Ni-Cr alloys Aqueous corrosion of metals is governed by formation and dissolution of a passivating, multi-component surface oxide. Unfortunately, a detailed atomistic description is challenging due to the compositional complexity and the need to consider multiple kinetic factors simultaneously. To this end, we combine experiments with a first-principles-derived, multiscale computational framework that transcends thermodynamic descriptions to explicitly simulate the kinetic evolution of surface oxides of Ni-Cr alloys as a function of composition, temperature, pH, and applied voltage. In the absence of pitting, we identify three distinct voltage regimes, which are kinetically dominated by oxide growth, dissolution, and competitive dissolution and reprecipitation. Evolving compositional gradients and oxide thickness are revealed, including a transition between a metastable Ni-Cr mixed oxide and a thick, porous Ni-dominated oxide. Beyond elucidating the underlying physics, we highlight the need for competing kinetics in models to properly predict the transition from passivation to corrosion. Our results provide a key step towards co-design of alloy composition alongside environmental conditions for sustainable use across a variety of critical energy and infrastructure applications. Kinetics ; Dissolution ; Atomic units ; Oxide ; Materials science ; Scale (ratio) ; Metallurgy ; Chemical engineering ; Chemistry ; Physical chemistry ; Physics Corrosion Behavior and Inhibition ; Electrocatalysts for Energy Conversion ; High-Temperature Coating Behaviors
Authors: Mehmet Topuz | Fatma Coşkun Topuz | Burak Dikici | D. Seifzadeh
Source: Journal of Applied Polymer Science (article, 2025-05-13)
Field: Materials Science — Biomaterials

Sustainable Walnut Shell‐Filled Polylactic Acid–Hydroxyapatite Hybrid Coatings for Enhanced Corrosion Resistance and Bioactivity of Magnesium Biomaterials ABSTRACT Due to the high corrosion rate and limited biocompatibility of commonly used magnesium (Mg) and its alloys, current studies have focused on surface modification techniques. In this study, which is aimed at overcoming these obstacles in biomedical applications, hybrid coatings of PLA‐HA‐Walnut shell (Wshell) were successfully applied to Mg substrates. The presence of micropores on the surfaces of the hybrid coatings was detected using SEM surface morphology, and the elemental composition and structural characterization of the coatings were confirmed through analyses. With a higher Wshell fraction, the corrosion current density decreased significantly compared to uncoated Mg and PLA‐coated Mg, increasing the electrochemical corrosion resistance of Mg. The adhesion strength between the coatings and the Mg substrates increased to grade 3B with Wshell‐filled hybrid coatings. Moreover, the contact angle of PLA‐coated Mg decreased as the Wshell fraction increased, indicating enhanced surface wettability. Wshell hybrid coatings exhibit fibrous morphology and the formation of Ca‐ and P‐rich layers. These results, along with the filling of Wshell, suggest that PLA‐HA‐Wshell hybrid coatings could be a promising additive material for potential next‐generation low‐cost and sustainable biomedical coatings to enhance the corrosion resistance and bioactivity of Mg. Polylactic acid ; Corrosion ; Materials science ; Magnesium ; Shell (structure) ; Biomaterial ; Composite material ; Metallurgy ; Chemical engineering ; Nanotechnology ; Polymer ; Engineering Magnesium Alloys: Properties and Applications ; Corrosion Behavior and Inhibition ; Aluminum Alloys Composites Properties
Authors: Giovana Signori-Iamin | Roberto Aguado | Jean‐Luc Putaux | Alexandre F. Santos | Wim Thielemans | Marc Delgado‐Aguilar
Source: Chemical Engineering Journal (article, 2025-03-06)
Field: Materials Science — Biomaterials

Energy and property trade-offs in nanocellulose production: High-pressure homogenization at different processing consistencies Nanocellulose ; Homogenization (climate) ; Process engineering ; Pulp and paper industry ; Materials science ; Materials processing ; Chemical engineering ; Cellulose ; Engineering Advanced Cellulose Research Studies ; Nanocomposite Films for Food Packaging ; Biofuel production and bioconversion
Authors: Mahima Chaudhary | Priyvart Choudhary | Anjali Tripathi | Vinay Kumar Pandey | Rohit K. Sharma | Seema Singh | Sarvesh Rustagi | Amritanshu Pathak
Source: Discover Sustainability (article, 2025-01-06)
Field: Materials Science — Materials Chemistry

Pharmaceutical orientation and applications of silver/zinc oxide nanoparticles developed from various fruit peel extracts: an emerging sustainable approach Nanotechnology has witnessed a paradigm shift with the emergence of a sustainable and eco-friendly approach for the synthesis of Ag/ZnO nanoparticles utilizing various fruit peel extracts. The inherent bioactive compounds present in fruit peels offer a green alternative, aligning with global efforts toward environmentally responsible nanotechnologies. This approach not only mitigates environmental impacts but also taps into cost-effective and readily available resources for nanoparticle synthesis. The scope of this study encompasses a comprehensive exploration of the substantial utilization and applications of Ag/ZnO nanoparticles derived from diverse fruit peel extracts. This study delves into a green synthesis process, considering a range of fruit sources to optimize nanoparticle characteristics. This approach involves tailoring nanoparticles for specific applications by fine-tuning synthesis parameters, diversifying fruit sources, and fostering interdisciplinary collaborations. The emerging sustainable approach of utilizing Ag/ZnO nanoparticles from various fruit peel extracts represents a transformative shift in nanotechnology. The controlled release of zinc from nanoparticles opens avenues for agricultural applications, enhancing nutrient availability for plants and elevating crop yields. The customization of nanoparticles for catalysis, sensing, and optoelectronics highlights their versatility and adaptability for diverse industrial applications. This eco-friendly methodology, grounded in green synthesis principles, has diverse applications with far-reaching implications. Embracing this transformative pathway ensures not only the optimization of nanoparticles for specific applications, but also a more sustainable and ethical trajectory for nanotechnology, contributing to the well-being of both industries and the environment. Zinc ; Nanoparticle ; Orientation (vector space) ; Materials science ; Nanotechnology ; Business ; Metallurgy ; Mathematics Nanoparticles: synthesis and applications ; Herbal Medicine and Trade Cooperation
Authors: Lukas Legenstein | Lukas Reicht | Sandro Wieser | Michele Simoncelli | Egbert Zojer
Source: npj Computational Materials (article, 2025-02-14)
Field: Materials Science — Materials Chemistry

Heat transport in crystalline organic semiconductors: coexistence of phonon propagation and tunneling Abstract Understanding heat transport in organic semiconductors is of fundamental and practical relevance. Therefore, we study the lattice thermal conductivities of a series of (oligo)acenes, where an increasing number of rings per molecule leads to a systematic increase of the crystals’ complexity. Temperature-dependent thermal conductivity experiments in these systems disagree with predictions based on the traditional Peierls–Boltzmann framework, which describes heat transport in terms of particle-like phonon propagation. We demonstrate that accounting for additional phonon-tunneling conduction mechanisms through the Wigner Transport Equation resolves this disagreement and quantitatively rationalizes experiments. The pronounced increase of tunneling transport with temperature explains several unusual experimental observations, such as a weak temperature dependence in naphthalene’s thermal conductivity and an essentially temperature-invariant conductivity in pentacene. While the anisotropic thermal conductivities within the acene planes are essentially material-independent, the tunneling contributions (and hence the total conductivities) significantly increase with molecular length in the molecular backbone direction. This, for pentacene results in a surprising minimum of the thermal conductivity at 300 K. Quantum tunnelling ; Phonon ; Condensed matter physics ; Organic semiconductor ; Materials science ; Semiconductor ; Chemical physics ; Optoelectronics ; Physics Thermal properties of materials ; Machine Learning in Materials Science ; Organic Electronics and Photovoltaics
Authors: Lu Hao | Demei Yu | Xinyu Hou | Yixuan Zhao
Source: Materials (review, 2025-06-23)
Field: Materials Science — Biomaterials

Advances in Polypyrrole Nanofiber Composites: Design, Synthesis, and Performance in Tissue Engineering This review is different from previous studies focusing on polypyrrole (PPy) in universal fields such as sensors and supercapacitors. It is the first TO systematically review the specific applications of PPy-based electrospun nanofiber composites in the biomedical field, focusing on its biocompatibility regulation mechanism and tissue repair function. Although PPy exhibits exceptional electrical conductivity, redox activity, and biocompatibility, its clinical translation is hindered by processing challenges and poor degradability. These limitations can be significantly mitigated through composite strategies with degradable nanomaterials, enhancing both process compatibility and biofunctionality. Leveraging the morphological similarity between electrospun nanofibers and the natural extracellular matrix (ECM), this work comprehensively analyzes the topological characteristics of three composite fiber architectures-randomly distributed, aligned, and core-shell structures-and elucidates their application mechanisms in nerve regeneration, skin repair, bone mineralization, and myocardial tissue reconstruction (e.g., facilitating oriented cell migration and regulating differentiation through specific signaling pathway activation). The study further highlights critical challenges in the field, including PPy's poor solubility, limited spinnability, insufficient mechanical strength, and scalability limitations. Future efforts should prioritize the development of multifunctional gradient composites, intelligent dynamic-responsive scaffolds, and standardized biosafety evaluation systems to accelerate the substantive translation of these materials into clinical applications. Polypyrrole ; Materials science ; Nanofiber ; Composite material ; Tissue engineering ; Polymer ; Biomedical engineering ; Engineering ; Polymerization Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; Conducting polymers and applications
Authors: Rizky Aflaha | Linda Ardita Putri | Aloysius Farrel | Sebastian Anzinger | Aditya Rianjanu | Nursidik Yulianto | Marc Fueldner | Roto Roto | Erwin Peiner | Hutomo Suryo Wasisto | Kuwat Trıyana
Source: Communications Materials (article, 2025-04-30)
Field: Materials Science — Biomaterials

Crafting high-temperature stable and hydrophobic nanofiber membranes for particulate matter filtration Abstract The demand for advanced applications in nanofiber technology has been increasing in recent years, one of which is in the field of particulate matter filtration. This review highlights the recent developments and applications of electrospun nanofibers as particulate matter filtration membranes. Electrospinning is chosen as a nanofiber fabrication method because of its high versatility, reliability, simplicity, and scalability. Besides adjustable fiber geometry affecting filtration efficiency, high surface hydrophobicity and high-temperature resistance have become the main attributes required by nanofibrous membranes for particulate matter filtration to enable their applications in harsh environments, such as industrial combustion and vehicle emission. Various organic and inorganic nanofiber materials are explored, in which their strengths and drawbacks are evaluated. Future research of nanofiber-based particulate matter filtration membranes is encouraged to overcome the currently faced challenges by exploring additional properties, for instance, antimicrobial and antifouling capabilities, optimizing nanofiber morphology, and employing environmentally friendly materials. Filtration (mathematics) ; Particulates ; Membrane ; Nanofiber ; Chemical engineering ; Materials science ; Chemistry ; Composite material ; Organic chemistry Electrospun Nanofibers in Biomedical Applications ; Electrohydrodynamics and Fluid Dynamics ; Membrane Separation Technologies
Authors: Samson B. Zacate | Jonas Rein | Soren D. Rozema | Reginald A. Annor | Scott J. Miller | Song Lin
Source: Journal of the American Chemical Society (article, 2025-02-28)
Field: Chemistry — Organic Chemistry

Catalyst-Controlled Regiodivergent Oxidation of Unsymmetrical Diols In this work we use aminoxyl-peptide conjugates to catalyze the regiodivergent oxidation of unsymmetrical diols. Through structural tuning of both the aminoxyl catalytic core and the chiral peptide backbone, we achieved catalyst control that either reinforces or overrides the intrinsic steric bias, leading to oxidation of either the less hindered or the more hindered alcohol in high selectivity. Chemistry ; Catalysis ; Diol ; Combinatorial chemistry ; Organic chemistry Oxidative Organic Chemistry Reactions ; Catalysis and Oxidation Reactions ; Mesoporous Materials and Catalysis
Authors: Soji Soman | Sanjay Kulkarni | Farhath Sherin | Amrita Arup Roy | Anoushka Mukharya | Rahul Pokale | Srinivas Mutalik
Source: RSC Advances (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

Bioinspired quantum dots: advancing diagnostic and therapeutic strategies in breast cancer Bioinspired quantum dots (BQDs) have garnered significant attention in recent years because of their unique characteristics, including their nanoscale size (less than 10 nm), high surface area, photoluminescence, chemical stability, and ease of synthesis and functionalization. Researchers are increasingly shifting towards the use of biomass-derived precursors instead of chemical compounds for BQD fabrication. These biomass sources are sustainable, eco-friendly, cost effective, widely available, and enable the conversion of waste into valuable materials. In this review, we provide a comprehensive analysis of various fabrication methodologies for BQDs, and the diverse raw materials used in recent studies. Owing to their exceptional properties, combined with simple synthesis routes, BQDs are promising candidates for a range of biomedical applications, particularly in bioimaging, targeted drug delivery, and phototherapy for cancer treatment. BQDs exhibit excellent aqueous solubility, low toxicity, biocompatibility, facile biofunctionalization, and selective cancer targeting. Furthermore, their photoluminescent properties, high longitudinal relaxation values, photothermal effects upon laser irradiation, ability to generate singlet oxygen, and production of H<sub>2</sub>S for gas therapy make them highly effective as cancer theranostic agents. This review specifically highlights the potential of BQDs in breast cancer management while addressing existing challenges in their application. Quantum dot ; Breast cancer ; Nanotechnology ; Drug delivery ; Cancer ; Targeted drug delivery ; Medical physics ; Medicine ; Materials science ; Internal medicine Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Quantum Dots Synthesis And Properties
Authors: Michele Bucchieri | Francesca S. Freyria | Barbara Bonelli
Source: Journal of Materials Chemistry A (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Triplet–triplet annihilation upconversion sensitized with nanocrystals for a new generation of photocatalytic systems Nanocrystal (NC) sensitizers enable triplet–triplet annihilation photon upconversion (TTA-UC), converting NIR or visible light into higher-energy photons and offering promising potential for applications, especially in solar-driven reactions. Photon upconversion ; Photocatalysis ; Annihilation ; Nanocrystal ; Materials science ; Photochemistry ; Nanotechnology ; Optoelectronics ; Chemistry ; Physics ; Doping ; Nuclear physics ; Catalysis ; Organic chemistry Luminescence Properties of Advanced Materials ; Luminescence and Fluorescent Materials ; Advanced Photocatalysis Techniques
Authors: Ēriks Sļedevskis | Marina Krasovska | Vjačeslavs Gerbreders | I. Mihailova | Jans Keviss | Valdis Mizers | Andrejs Bulanovs
Source: Chemosensors (article, 2025-02-09)
Field: Chemistry — Electrochemistry

Impact of ZnO Nanostructure Morphology on Electrochemical Sensing Performance for Lead Ion Detection in Real Water Samples This study investigated the morphological dependence of ZnO nanostructures, specifically nanotube- and nanorod-based electrodes, on their electrochemical performance for the detection of lead ions (Pb2⁺) in aqueous solutions. The results demonstrate that ZnO nanotubes exhibit significantly enhanced sensitivity compared to nanorods during CV measurements. During SWV measurements, the sensitivity (116.79 mA·mM−1) and a lower limit of detection of 0.0437 μM were determined. The hollow, high-aspect-ratio structure of nanotubes provides a larger active surface area and facilitates better ion accessibility, resulting in superior electron transfer efficiency and catalytic activity. These results underscore the critical role of morphology in optimizing ZnO-based sensors. Analysis of real water samples from various natural reservoirs revealed no detectable lead, while lead was identified exclusively in artificially prepared samples containing water exposed to lead hunting shot. Over a 30-day period, the sensor retained over 95% of its initial performance when stored under vacuum conditions, demonstrating minimal signal degradation. Under ambient conditions, stability loss was attributed to moisture adsorption on the porous nanostructure. The sensor also displayed outstanding reproducibility, with current response variations across multiple probes remaining within 4%. The cost-effective and simple fabrication process of ZnO nanostructures further highlights their potential for scalable production, environmental monitoring, and integration into portable sensing devices. Nanostructure ; Materials science ; Morphology (biology) ; Lead (geology) ; Electrochemistry ; Nanotechnology ; Ion ; Chemical engineering ; Chemistry ; Electrode ; Geology Electrochemical Analysis and Applications ; Heavy Metal Exposure and Toxicity ; Mercury impact and mitigation studies
Authors: Su Kyeong Shin | Seung Jun Lee | Jin Hee Park
Source: Sensors (article, 2025-08-14)
Field: Chemistry — Analytical Chemistry

Prediction of Soil Properties Using Vis-NIR Spectroscopy Combined with Machine Learning: A Review Stable crop yields require an appropriate supply of essential soil nutrients such as nitrogen (N), phosphorus (P), and potassium (K) based on the accurate diagnosis of soil nutrient status. Traditional laboratory analysis of soil nutrients is often complicated and time-consuming and does not provide real-time nutrient status. Visible-near-infrared (Vis-NIR) spectroscopy has emerged as a non-destructive and rapid method for estimating soil nutrient levels. Vis-NIR spectra reflect sample characteristics as the peak intensities; however, they are often affected by various artifacts and complex variables. Since Vis-NIR spectroscopy does not directly measure nutrient levels in soil, improving estimation accuracy is essential. For spectral preprocessing, the most important aspect is to develop an appropriate preprocessing strategy based on the characteristics of the data and identify artifacts such as noise, baseline drift, and scatter in the spectral data. Machine learning-based modeling techniques such as partial least-squares regression (PLSR) and support vector machine regression (SVMR) enhance estimation accuracy by capturing complex patterns of spectral data. Therefore, this review focuses on the use of Vis-NIR spectroscopy for evaluating soil properties including soil water content, organic carbon (C), and nutrients and explores its potential for real-time field application through spectral preprocessing and machine learning algorithms. Vis-NIR spectroscopy combined with machine learning is expected to enable more efficient and site-specific nutrient management, thereby contributing to sustainable agricultural practices. Spectroscopy ; Computer science ; Machine learning ; Materials science ; Remote sensing ; Environmental science ; Geology ; Physics Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Water Quality Monitoring and Analysis
Authors: Ahmed N. Emam
Source: Discover Applied Sciences (article, 2025-10-02)
Field: Materials Science — Biomaterials

Collagen and collagen-derived materials: synthesis, structure, classification, fundamental properties and biomedical applications This review was conducted to provide a comprehensive examination of collagen as a biomaterial, analyzing its fundamental properties, structural characteristics, and extensive applications in biomedical fields. The data was collected to synthesize current knowledge on collagen's synthesis, structure, classification, and therapeutic potential, with the purpose of identifying research gaps and future opportunities in collagen-based biomedical technologies. This comprehensive analysis serves to inform researchers and clinicians about the current state and potential of collagen applications in tissue engineering, wound healing, and regenerative medicine. This review presents a systematic compilation of research data on collagen's molecular structure, hierarchical organization, and biomedical applications. The data encompasses collagen's tropocollagen assembly, fibril and fiber formation, mechanical properties, and tissue-specific distribution patterns. Additionally, the dataset includes comprehensive information on collagen-based biomaterials such as scaffolds, hydrogels, and matrices, along with advanced collagen composites incorporating ceramics, polymers, and growth factors. This data is valuable to researchers as it provides a combined resource for understanding collagen's multifaceted role in biomedical applications, current technological advances, existing challenges in quality control and mechanical optimization, and emerging opportunities for innovation in healthcare and biomedical technologies. The comprehensive nature of this data makes it particularly useful for guiding future research directions and development of next-generation collagen-based therapeutic solutions. Regenerative medicine ; Quality (philosophy) ; Resource (disambiguation) ; Current (fluid) ; Health care ; Control (management) Collagen: Extraction and Characterization ; Bone Tissue Engineering Materials ; Silk-based biomaterials and applications