Umesh Arampath、Bryant Pero、David E. Stewart 等 4 位作者2026-08-19Journal of Chemical Information and Modeling
Abstract What determines which machine learning architecture wins for molecular property prediction? We address this question through a controlled comparison of five models spanning four architecture families: fingerprint-based ensembles (Random Forest, XGBoost), a directed message-passing graph neural network (GNN),…
Machine Learning in Materials ScienceAdvanced Graph Neural NetworksComputational Drug Discovery Methods
Endong Wang、Xiaxi Lei、Lingzhang Xu 等 6 位作者2026-08-19The Journal of Physical Chemistry A
Abstract Hydride-containing ligand-protected gold nanoclusters present a distinctive bonding problem: despite its negligible steric bulk, hydride can contribute to the stabilization of compact gold frameworks. Here we show that each kernel surface bridging hydride in gold nanohydride clusters forms a local three-cente…
Advanced Chemical Physics StudiesGold and Silver Nanoparticles Synthesis and ApplicationsNanocluster Synthesis and Applications
Guan‐Lin Chen、Soonyong Lee、Shao‐Huan Hong 等 6 位作者2026-08-19Advanced Science
ABSTRACT Short‐wave infrared (SWIR) light constitutes a significant yet underutilized portion of the solar spectrum, and efficient harvesting and detection of SWIR photons are increasingly required for emerging photonic and energy technologies. Here, we demonstrate SWIR energy harvesting and photodetection using an or…
Organic Electronics and PhotovoltaicsConducting polymers and applicationsCovalent Organic Framework Applications
Т. А. Серегина、Р. С. Шакулов、Svetlana Sklyarova 等 4 位作者2026-08-19Preprints.org
Previously we demonstrated that disruption of ribose-5-phosphate biosynthesis in the pentose phosphate pathway increases the sensitivity of E. coli bacteria to a broad spectrum of antibiotics, and this sensitivity can be suppressed by deletion of the deoB gene. In this study, we demonstrated that antibiotic sensitivit…
Enzyme Structure and FunctionBacterial Genetics and BiotechnologyBiochemical and Molecular Research
Chong Wang、Rong-Chao Xue、Y. Liu 等 6 位作者2026-08-19Journal of Vinyl and Additive Technology
ABSTRACT Soft polyvinyl chloride (PVC) is the dominant polymeric material for medical devices, yet its inherent susceptibility to bacterial colonization and biofilm formation during clinical use remains a critical safety risk. This work reports a novel multifunctional antifouling additive with a hyperbranched poly(eth…
Polymer Science and PVCAntimicrobial agents and applicationsAdvanced Polymer Synthesis and Characterization
Ahmad Faraz、Parisa Ebrahimbabaie、Ferhat Ozturk 等 6 位作者2026-08-19Frontiers in Plant Science
Nanotechnology facilitates efficient micronutrient delivery to crops, with copper oxide nanoparticles (CuO NPs) identified as promising nanofertilizers. This study investigated the effects of CuO NPs applied via seed soaking and foliar spray on the growth and physiological responses of Brassica juncea (mustard). Seeds…
Nanoparticles: synthesis and applicationsPlant Micronutrient Interactions and EffectsPlant Stress Responses and Tolerance
Einan Bowen Solomon2026-08-19University of Liverpool
At present the UK holds a large inventory of PuO2 which poses significant security and economic concerns if left in its current state. The UK government has decided to immobilise the PuO2 inventory via incorporation into a mineral phase and final disposal in a geological disposal facility. Zirconolite is one of the mi…
Recycling and utilization of industrial and municipal waste in materials productionNuclear materials and radiation effectsAdvanced ceramic materials synthesis
Gustavo E. Rodríguez、Rosilei Garcia、Alain Cloutier2026-08-19Preprints.org
The growing global demand for particleboards has generated large quantities of waste in recent years. This waste mainly arises from manufacturing processes, furniture industry offcuts, and end-of-life disposal. In response to waste management challenges, recycling and reuse technologies have advanced significantly. In…
Wood Treatment and PropertiesNatural Fiber Reinforced CompositesBamboo properties and applications
Andrew Stewart Caldin2026-08-19Zenodo (CERN European Organization for Nuclear Research)
FINDING: Penrose tiling inflation-deflation operator eigenvalues are algebraic integers in Q(√5), with the dominant eigenvalue being φ² = φ + 1 = 2.618..., linking aperiodic order to the golden ratio quadratic field. MATH: - Inflation-deflation operator (substitution matrix) for Penrose tiling (e.g., Robinson triangle…
Advanced Mathematical TheoriesAdvanced Mathematical Theories and ApplicationsQuasicrystal Structures and Properties
Utsav Kumar Dey、Ricardo Ortega、Serkan Demirci 等 12 位作者2026-08-19Small
Janus nanoparticles possess anisotropic architectures that enable strong interfacial interactions and enhanced functionality, yet their synthesis often depends on multistep seeded or templated routes. Here we report hybrid emulsion-dispersion (HED) polymerization, a one-pot strategy that introduces a fundamentally dif…
Innovative Microfluidic and Catalytic Techniques InnovationAdvanced Polymer Synthesis and CharacterizationPickering emulsions and particle stabilization
Jie Zhao、Qi Zhang、Meng Geng 等 8 位作者2026-08-19Science Advances
The interfacial structure and energy transfer (ET) in heterostructures have attracted tremendous attention for their growing importance in thermal management, catalysis, and optoelectronic applications. However, the role of carrier-lattice interaction in interfacial ET at the nanoscale remains unclear. Here, we constr…
Thermal Radiation and Cooling TechnologiesMXene and MAX Phase MaterialsThermal properties of materials
Chengtian Liang、Fan Yang、Xuanting Hong 等 10 位作者2026-08-19Preprints.org
We introduce QuanLLM-v1.0-qm, a domain-adapted language model for university-level quantum-mechanics learning and problem solving. It is derived from Qwen3-8B and adapted with approximately 40,000 quantum-mechanics instruction examples through low-rank parameter-efficient supervised fine-tuning. The model is delivered…
Machine Learning in Materials ScienceScientific Computing and Data ManagementModel Reduction and Neural Networks
Ning Zhu、Jingyuan Ding、Zhengyu Zhang 等 7 位作者2026-08-19Small
ABSTRACT High‐entropy alloys (HEAs) have recently emerged as promising candidates for electromagnetic compatibility (EMC) applications due to their unique compositional complexity and the synergistic interactions among constituent elements. However, their inherently limited dielectric loss capability significantly res…
Metallic Glasses and Amorphous AlloysMXene and MAX Phase MaterialsElectromagnetic wave absorption materials
Andrew Stewart Caldin2026-08-19Zenodo (CERN European Organization for Nuclear Research)
FINDING: Icosahedral symmetry group is simple; quasicrystals exhibit non-Fermi liquid behavior; viral capsids use icosahedral symmetry for assembly. MATH: - Icosahedral rotational symmetry group: order 60, isomorphic to \(A_5\) (alternating group on 5 letters), simple (no nontrivial normal subgroups). - Quasicrystal p…
Advanced Materials and MechanicsQuasicrystal Structures and PropertiesGraph theory and applications
Brenda Resendiz‐Diaz、Emma Sadler、Colin R. Crick2026-08-19Advanced Materials Interfaces
ABSTRACT The environmental concerns associated with plastic and fluorocarbon‐based materials have driven the search for sustainable options, particularly in the development of highly water‐repellent coatings. Plant‐based materials offer a promising solution due to their biodegradability and sustainability. In this stu…
Adhesion, Friction, and Surface InteractionsPickering emulsions and particle stabilizationSurface Modification and Superhydrophobicity
Jingyu Xu、Honglei Ge、Zhenyu Niu 等 9 位作者2026-08-19Materials
The dissimilar combination of NiTi shape memory alloy and Ti6Al4V titanium alloy offers superelasticity, biocompatibility and high specific strength, showing broad application prospects in aerospace and medical fields. However, when fabricating NiTi/Ti6Al4V composite components by multi-material laser powder bed fusio…
Shape Memory Alloy TransformationsCellular and Composite StructuresTitanium Alloys Microstructure and Properties
Sergio Martin Taipe Ledesma、Oswaldo Flores-Vargas、Antony Bazan-Aguilar2026-08-19Zenodo (CERN European Organization for Nuclear Research)
Los materiales flexibles funcionales a partir de carbón representan una alternativa viable, económica, eco-amigable, si este proviene de una biomasa residual, y escalable en el desarrollo de sistemas electrónicos portátiles e inteligentes a mediano o largo plazo. Por ende, el presente reporte evalúa las propiedades de…
Graphene and Nanomaterials ApplicationsElectrochemical sensors and biosensorsSupercapacitor Materials and Fabrication
Kumaresan Mayakannan、Karthi Nadarajan、Sumanth Ratna Kandavalli 等 6 位作者2026-08-19Scientific Reports
This study investigates the mechanical and tribological performance of sustainable epoxy composites reinforced with alkali-treated hybrid plant fibers and bio-fillers. The composites were fabricated using sisal, hemp, flax, and bamboo fibers as hybrid reinforcements, all subjected to NaOH treatment, and incorporated b…
Tribology and Wear AnalysisNatural Fiber Reinforced CompositesAluminum Alloys Composites Properties
Tina Kavčič、Maarten de Groot、Luka Capuder 等 4 位作者2026-08-19Napovedi o zdravju gozdov
Nasl. z nasl. zaslona.
Marine Ecology and Invasive SpeciesDiatoms and Algae ResearchLichen and fungal ecology
begüm yıldırım2026-08-19Zenodo (CERN European Organization for Nuclear Research)
This paper develops a revised mathematical solution framework for the chemistry challenge "Prevent catalyst poisoning and deactivation without sacrificing activity?". The proposed Reversible-Irreversible Catalyst Deactivation Model (RICDM) was constructed after an earlier formulation failed or remained only partially…
Environmental remediation with nanomaterialsOxidative Organic Chemistry ReactionsCatalytic Processes in Materials Science