jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Lileana Carolina Saavedra Robles | Bryan Alfonso Colorado Pástor | Juan Carlos Briones Macías | José Luis Viteri Morales | Pedro Napoleón Chara Moreira | Rosanna Elizabeth Rivera Castro
Source: International Journal of Civil Engineering (article, 2026-02-11)
Field: Materials Science — Polymers and Plastics

Evaluation of High-Strength Plastics in Urban Furniture: A Comparison of Materials and their Use in Particular Public Spaces Street furniture in public spaces in high-risk areas meets two fundamental requirements for its designation: exposure to extreme climates and adverse weather conditions such as floods or landslides. Therefore, this article is based on an evaluation of the materials currently used in street furniture in high-risk areas, taking as a case study the informal settlement of the Sergio Toral Cooperative in Guayaquil. The overall objective of the study is to assess the current condition of the materials and propose solutions using high-density plastics to improve their long-term resistance and maintenance. In conclusion, it was determined that, with varying dosages of plastic alloys (1%, 2%, 3%, 4%, and 5%) and the addition of recycled HDPE plastic spheres, PVC fibers, and cement, the best results were obtained at the 3% and 4% dosages, particularly in sunlight, and with increased water absorption and dissipation. A hybrid material with absorbent and waterproofing properties was developed, resulting in a material more resistant to cracking and breakage, and with a 22% increase in its elastic properties. Waterproofing ; Settlement (finance) ; Cracking ; High-density polyethylene ; Absorption of water ; Adverse weather Natural Fiber Reinforced Composites ; Microplastics and Plastic Pollution ; Agriculture and Social Issues
Authors: Ahmed Khalifa | Rokas Veitas | Francisco Machado | Shubhayu Chatterjee
Source: SciPost Physics (article, 2026-03-24)
Field: Materials Science — Materials Chemistry

Spin-orbital magnetism in moiré Wigner molecules The interplay of spin and orbital degrees of freedom offers a versatile playground for the realization of a variety of correlated phases of matter. However, the types of spin-orbital interactions are often limited and challenging to tune. Here, we propose and analyze a new platform for spin-orbital interactions based upon a lattice of Wigner molecules in moiré transition metal dichalcogenides (TMDs). Leveraging the spin-orbital degeneracy of the low-energy Hilbert space of each Wigner molecule, we demonstrate that TMD materials can host a general spin-orbital Hamiltonian that is tunable via the moiré superlattice spacing and dielectric environments. We study the phase diagram for this model, revealing a rich landscape of phases driven by spin-orbital interactions, ranging from ferri-electric valence bond solids to a helical spin liquid. Our work establishes moiré Wigner molecules in TMD materials as a prominent platform for correlated spin-orbital phenomena. Magnetism ; Phase diagram ; Hilbert space ; Superlattice ; Hamiltonian (control theory) ; Spins ; Molecule ; Valence (chemistry) ; Lattice (music) 2D Materials and Applications ; Topological Materials and Phenomena ; Advanced Condensed Matter Physics
Authors: Yushan Gu | Dawei Liu | Rui Zhao | Suyu Yuan
Source: Research Square (preprint, 2026-04-03)
Field: Materials Science — Biomaterials

Experimental Study on the Application of Electrospinning Technology in the Conservation of Ancient Silk Textiles SILK ; Electrospinning ; Fibroin ; Nanofiber ; Composite number ; Ultimate tensile strength ; Consolidation (business) Silk-based biomaterials and applications ; Electrospun Nanofibers in Biomedical Applications ; Hemostasis and retained surgical items
Authors: Aiswarya M. Parameswaran | Donald G Truhlar
Source: ChemRxiv (article, 2026-01-22)
Field: Chemistry — Organic Chemistry

Automerization of Cyclobutadiene: Multi-Configuration Pair-Density Functional Theory Gives High Accuracy Where Unrestricted Kohn-Sham Density Functional Theory Does Not The automerization of cyclobutadiene is a classical well-studied example of a reaction passing through an inherently multiconfigurational transition state; the transition-state geometry is a square biradical that is the prototype anti-aromatic ring system. Here we study and compare two different approaches to treating the barrier height for this reaction by two kinds of density functional methods: unrestricted Kohn-Sham (UKS) calculations and multiconfiguration pair-density functional theory (MC-PDFT). We test 22 functionals for the former and six for the latter. By using multiple software packages, these tests allow us to compare several relatively recent functionals that are rarely compared, such as ωB97M-V, revM11, r 2 SCAN, M06-SX, CF22D, and DM21. We find the best performance for UKS with wB97M-V, M06-2X, and DM21, having errors in the range 2.2-2.7 kcal/mol. Some functionals (MN15-L, revM06-L, PBE0, TPSSh, and r²SCAN) give unphysical transition states, and the mean unsigned error of the 22 UKS barrier heights is 6.4 kcal/mol. With an active space of 8 electrons in 8 orbitals, all six MC-PDFT functionals have unsigned errors in the range 0.2-1.9 kcal/mol, with the lowest error (0.2 kcal/mol) being obtained with MC23. The CASPT2 error is 1.2 kcal/mol with the (8,8) active space and 0.7 kcal/ml with the (6,6) active space. We conclude that MC-PDFT can provide a practical and accurate way to treat inherently multiconfigurational transition states. Density functional theory ; Space (punctuation) ; Range (aeronautics) ; Cyclobutadiene ; Orbital-free density functional theory ; Wave function ; Hybrid functional Synthesis and Properties of Aromatic Compounds ; Cyclization and Aryne Chemistry ; Advanced Chemical Physics Studies
Authors: Emiliya Poghosyan | Xiangyu Xie | Joakim Reuteler | Kirsty A. Paton | Luis Barba Flores | Benjamı́n Béjar | E. Fröjdh | A. Bergamaschi | E. Müller
Source: ArXiv.org (article, 2026-01-12)
Field: Materials Science — Surfaces, Coatings and Films

Sub-Pixel Electron Beam Alignment for Machine Learning Characterization of Hybrid Pixel Detectors Due to their radiation hardness, kilohertz frame rates, and high dynamic range, hybrid pixel detectors have recently expanded their application range to electron diffraction and recently also electron imaging. However, these detectors typically have pixel sizes about ten times larger than those of direct electron detectors commonly used for imaging and more prominent electron multiple scattering effects. To overcome these limitations, machine learning approaches can be utilized to reconstruct the electron entrance point and achieve super-resolution. As this process is inherently stochastic, and machine learning relies on suitable training data, high-quality, representative training data are essential for developing models that achieve the best possible resolution. In this work, we present two novel experimental methods for generating such training data. The first method employs precise microscope alignment to scan the detector plane using a finely focused electron beam of 2 μm diameter, enabling controlled sub-pixel mapping. The second method utilizes specially designed aperture masks with sub-pixel-sized holes to accurately localize electron entry points. We developed and validated two experimental strategies for collecting training data at acceleration voltages of 60, 80, 120, and 200 keV, which enable sub-pixel labeling for hybrid pixel detectors. Notably, our methodology is broadly applicable to a wide range of hybrid pixel detectors. Pixel ; Detector ; Process (computing) ; Frame (networking) ; Acceleration voltage ; Electron ; Point (geometry) ; Aperture (computer memory) Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications ; Particle Detector Development and Performance
Authors: Danya Shen | Jingmin Liu | Wenqing Zhao | Junfeng Wu | Maohua Rong | Jiang Wang | Hongyu Zhang | Ligang Zhang | Libin Liu
Source: Processes (article, 2026-01-17)
Field: Materials Science — Materials Chemistry

Study on the Diffusion and Atomic Mobility of Alloying Elements in the β Phase of the Ti-Cr-Nb Ternary System Diffusion-controlled processes play a critical role in the heat treatment and microstructural homogenization of β-titanium alloys containing multiple β-stabilizing elements. Adding β-phase stabilizing elements like Cr and Nb to titanium alloys can significantly improve the high-temperature strength and creep performance of the alloy. Their diffusion coefficients can be used to predict the risk of softening and creep failure in high-temperature components caused by diffusion. However, reliable diffusion kinetic data for the β phase in the Ti–Cr–Nb ternary system remain scarce, limiting quantitative process modeling and simulation. In this study, diffusion behavior in the BCC (β) region of the Ti–Cr–Nb system was investigated using diffusion couples combined with CALPHAD-based kinetic modeling. Twelve sets of diffusion couples were prepared and annealed at 1373 K for 48 h, 1423 K for 36 h, and 1473 K for 24 h. The corresponding composition–distance profiles were measured by electron probe microanalysis. Composition-dependent interdiffusion coefficients and atomic mobility parameters were determined using the numerical inverse method. The results revealed temperature and composition dependence of the main interdiffusion coefficients, with Nb exhibiting a stronger influence than Cr. The evaluated kinetic parameters provide an effective kinetic description for diffusion-controlled process simulations. Ternary operation ; Diffusion ; Kinetic energy ; Creep ; Atomic diffusion ; Phase (matter) ; Diffusion process ; Ternary numeral system ; Homogenization (climate) Titanium Alloys Microstructure and Properties ; Intermetallics and Advanced Alloy Properties ; Advanced Welding Techniques Analysis
Authors: Satya Prakash | Nishant Kumar
Source: Nature Environment and Pollution Technology (article, 2026-02-04)
Field: Materials Science — Materials Chemistry

Sustainable Corrosion Protection in Concrete Using Henna Coatings: An Environmentally Friendly Alternative to Zinc Coatings Corrosion of reinforcement bars in concrete compromises structural integrity and increases maintenance costs. This study investigates the effectiveness of organic (henna powder) and inorganic (zinc powder) corrosion inhibitor coatings in enhancing both corrosion resistance and bond strength retention of coated reinforcement bars embedded in concrete. The significance of the study lies in its approach to measuring the bond strength retention of coated reinforcement bars in a chloride-induced environment. To evaluate the corrosion mitigation and bond strength retention of the coated bars, cylindrical specimens of M20 grade of concrete were cast, having embedded coated and non-coated reinforcement bars having varying coating layers. Accelerated corrosion tests using a 3.5% NaCl solution were applied to cast specimens to simulate aggressive environmental conditions. Bond strength retention was assessed through pull-out tests in accordance with IS 2770: Part 1 (1967). Results showed that reinforcement bars with four coats of henna delayed corrosion initiation by up to 14,525 minutes (~10 days), compared to 6,132 minutes (~5 days) for uncoated bars, representing a 137% improvement in corrosion resistance at 20% corrosion levels. Zinc coatings improved corrosion resistance by up to 65% with four coats at 20% corrosion levels. In bond strength tests, uncoated samples exhibited a 42% reduction in bond strength at 20% corrosion, while henna-coated samples retained up to 90% of their original bond strength, significantly outperforming zinc-coated samples, which retained approximately 84%. The superior performance of henna coatings is attributed to the formation of a protective passive layer containing organic tannins and polyphenolic compounds such as lawsone. Unlike conventional admixture-based or epoxy-based corrosion inhibitors, which are either dispersed within the concrete matrix or applied externally to hardened surfaces, this study pioneers the direct application of henna as a coating on reinforcement bars-targeting corrosion mitigation precisely at the steel–concrete interface without compromising bond strength. These findings highlight the potential of organic inhibitors as cost-effective solutions and present a viable alternative to traditional epoxy-coating-based prevention methods for mitigating reinforcement corrosion while preserving bond strength, offering a promising approach for enhancing the durability of reinforced concrete structures. The study promotes the use of environmentally safe inhibitors to reduce the ecological footprint of reinforced concrete structures and supports the transition toward green and sustainable construction practices. Corrosion ; Bond strength ; Reinforcement ; Coating ; Zinc ; Environmentally friendly ; Bond Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Engineering and Material Science Research
Authors: Lennard L. Bohlender | Juliana Parsons | Antonia Mitgau | Sebastian N. W. Hoernstein | Giovanna Grigolon | Bernhard Henes | Eva L. Decker | Ralf Reski
Source: Plant Cell Reports (article, 2026-01-28)
Field: Materials Science — Biomaterials

Secretion-based production of prolyl-hydroxylated human type III collagen in scalable Physcomitrella photobioreactors Scalable moss bioreactors enable the production of high-quality recombinant prolyl-hydroxylated human collagen without heterologous P4H expression, offering a sustainable and vegan alternative to conventional collagens derived from animals. Collagens are structural proteins of the extracellular matrix essential for skin elasticity and integrity. They are widely used in dietary supplements and cosmetics. Conventional collagens of animal origin raise concerns regarding ethics, safety, and sustainability. As a vegan alternative, we report on the production of a 30 kDa prolyl-hydroxylated human collagen polypeptide from Physcomitrella moss plants. For secretion-based production and formulation compatibility, a hydrophilic region encompassing 334 amino acids from human type III collagen was selected, which includes four protein domains involved in cell adhesion, collagen binding, integrin recognition and wound healing. Transgenic moss lines were generated via protoplast transformation. Immunodetection identified collagen-producing lines, and mass spectrometry validated the product and detected prolyl-hydroxylation on 23 sites. The presence of this important post-translational modification underscores the high biomimetic quality of the product. To enable industrial-scale production, the transformants were quantitatively analysed at the genomic, transcript, and protein levels. The most productive lines were forwarded to process development, where culture conditions, including CO<sub>2</sub> supplementation, pH, and light intensity, were optimized. Upscaling to 5 L photobioreactors established a robust, light- and biomass-dependent production regime that yielded nearly 1 mg/L of secreted collagen polypeptide in the culture supernatant after 11 days of cultivation. Taken together, this study presents the first scalable moss-based production of a post-translationally modified human collagen and offers a sustainable and vegan alternative to conventional collagens for cosmetic formulations. This highlights the versatility of Physcomitrella as a production host for high-quality proteins with industrial applicability that also meet consumer requirements. Physcomitrella patens ; Heterologous ; Extracellular matrix ; Photobioreactor ; Bioreactor ; Cell culture Collagen: Extraction and Characterization ; Skin Protection and Aging ; Wound Healing and Treatments
Authors: Chunmin Qi | Yu Xia | Shanfa Tang
Source: Scientific Reports (article, 2026-04-09)
Field: Materials Science — Biomaterials

The analysis and control of scale accumulation for mixed layer injection of water for the Shuanghe oil area in Yanchang Oilfield Waterflooding remains one of the primary techniques for developing low-permeability reservoirs. However, scale accumulation caused by incompatible water mixing can lead to pore blockage and formation damage, resulting in elevated injection pressure and reduced water injection efficiency, which ultimately undermines the effectiveness of such development efforts. This study focuses on the Shuanghe oil area within the Yanchang Oilfield, China, where three distinct water sources-produced water from the Chang 6 reservoir, produced water from the Yan'an Formation, and surface water-are utilized for injection purposes. To address the challenges associated with water injection in this block, we conducted a comprehensive set of investigations, including reservoir sensitivity experiments, injected water quality analysis, and compatibility studies; notably, the wastewater treatment process has been optimized. Through these efforts, we systematically examined the conditions that lead to the formation of plugging factors during water injection. Our findings reveal that poor compatibility between the different injected water sources readily triggers the precipitation of inorganic scale upon mixing, which in turn clogs reservoir pores and drives up injection pressure. Specifically, when water samples from different sources in the Shuanghe oil area are mixed, they precipitate three main types of scale: calcium carbonate (CaCO₃), barium sulfate (BaSO₄), and strontium sulfate (SrSO₄). Among these, calcium carbonate and barium sulfate were the most abundant in mixtures of produced waters. Additionally, we observed a significant increase in calcium carbonate scale formation as both temperature and pH levels rose. Targeting the specific scale types identified in the block's mixed-layer water, we implemented a two-pronged control strategy: pre-mixing the effluent waters and adding pH regulators. This approach proved effective in suppressing the formation of both carbonate and sulfate scales. Finally, core experiments were performed to assess the extent of reservoir damage caused by injected water. The results showed that after treatment, the core damage rate associated with mixed water injection was reduced to 15%. Calcium carbonate ; Carbonate ; Water injection (oil production) ; Sulfate ; Strontium ; Water quality ; Precipitation ; Wastewater Calcium Carbonate Crystallization and Inhibition ; Enhanced Oil Recovery Techniques ; Hydraulic Fracturing and Reservoir Analysis
Authors: Yanan He | Mengyao Qu | Lu Yu | Yiuxn Lu | Jin Hong | Miao Sun | Huikai Yang | Weidong Mi | Hang Guo | Yulong Ma
Source: International Journal of Nanomedicine (article, 2026-02-01)
Field: Materials Science — Materials Chemistry

Nanomaterial-Based Drug Delivery Systems for Ischemic Stroke: From Blood-Brain Barrier Crossing to Neuroprotection Ischemic stroke remains a leading cause of mortality and long-term disability worldwide, largely due to limited therapeutic options and the restrictive nature of the blood-brain barrier (BBB). Nanomaterial-based drug delivery systems have emerged as promising strategies to enhance brain-targeted therapy by facilitating BBB penetration and enabling multi-pathway neuroprotection. This review provides a mechanism-driven overview of recent advances in stroke nanomedicine, classifying nanotherapeutic strategies into four major categories: reactive oxygen species-scavenging nanomaterials, glutamate-modulating systems, anti-inflammatory nanocarriers, and neuroprotective or neuroregenerative delivery platforms. Representative nanoplatforms within each category are discussed with respect to their BBB-crossing mechanisms, therapeutic potential, and translational relevance. In addition, the current clinical trial landscape, key translational bottlenecks, and emerging artificial intelligence-assisted approaches for optimizing nanocarrier design and supporting translational decision-making are highlighted. Overall, this review aims to provide a structured, clinically oriented framework to guide the rational design and translational development of nanomaterial-based drug delivery systems for ischemic stroke. Neuroprotection ; Nanocarriers ; Drug delivery ; Clinical trial ; Translational research ; Drug ; Targeted drug delivery ; Ischemic stroke Advanced Nanomaterials in Catalysis ; Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics
Authors: Ivan Butenko | Natalia A. Kitsilovskaya | IK Chudinov | AV Vakaryuk | AA Lebedeva | NM Baraboshkin | AG Khchoian | AV Kovalenko | VD Gremyacheva | AA Lazareva | Olga V. Kurylova | Konstantin Gorbunov | Alexander Pavlenko | Grigory L. Kozhemyakin | O. V. Fedorov | Elena N. Ilina | Vadim M. Govorun
Source: bioRxiv (Cold Spring Harbor Laboratory) (article, 2026-02-23)
Field: Chemistry — Spectroscopy

Direct empirical in-house assessment of peptide proteotypicity for targeted proteomics Abstract In bottom-up proteomics peptide it was early shown that despite a certain protein is present in a sample, only a subset of it’s proteolytic peptide products will be detected with LC-MS analysis. Property of peptide being frequently detected given its source protein’s identification was called proteotypicity. Much effort has been since applied to predict proteotypic peptides and summarize evidence on peptide detection. Nevertheless, when targeted proteomics method is being developed, prediction or inference from communal experience might be inaccurate and prior knowledge of true peptide proteotypicity in a selected setup for a selected population is necessary. In this work we test fully in-house approach for proteotypicity assessment including comprehensive peptide synthesis and detection verification. Proteotypicity and contribution of sample processing and biology-related factors are estimated in a model experiment for three plasma proteins, albumin, ceruloplasmin and C-reactive protein. Peptide ; Proteomics ; Identification (biology) ; Proteogenomics ; Bottom-up proteomics ; Quantitative proteomics ; Inference ; Peptide mapping Advanced Proteomics Techniques and Applications ; Advanced Biosensing Techniques and Applications ; Mass Spectrometry Techniques and Applications