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Make AI chemical predictions physically constrained and uncertainty-aware

Begüm Yıldırım2026-08-18Zenodo (CERN European Organization for Nuclear Research)

This revised article addresses Q0038, 'Make AI chemical predictions physically constrained and uncertainty-aware?' using a question-specific mathematical construction rather than a generic logarithmic template. The proposed model, termed the Physics-Constrained Calibrated Prediction Model, uses predicted mean yhat, pr…

Computational Drug Discovery MethodsMachine Learning in Materials ScienceChemistry and Chemical Engineering

Rationally Engineered Molecularly Imprinted Nanoprobe Enables Facile and Label-Free Targeted Aggregation-Enhanced Raman Assay of HbA1c

Yang Lyu、Xiaodong Bi、Yanjie Han 等 4 位作者2026-08-18Analytical Chemistry

Abstract Glycated hemoglobin (HbA1c) is an important clinical indicator for the diagnosis and therapeutic monitoring of diabetes mellitus. However, the existing analytical methods, including liquid chromatography, immunoassay, and mass spectrometry, heavily rely on column resolution, extra labeling bioreagents, or cos…

Spectroscopy Techniques in Biomedical and Chemical ResearchAdvanced Nanomaterials in CatalysisCarbon and Quantum Dots Applications

Microfibrillated cellulose-reinforced hemp non-wovens: Engineering functional pre-forms for sustainable composites

Percy Festus Alao、Luca Querci、Ben Bulson 等 5 位作者2026-08-18Industrial Crops and Products

This study investigates the mechanical enhancement of long-fibre hemp non-woven mats—utilising both epoxy and bicomponent polypropylene/polyethylene (PP/PE) binders, through the incorporation of microfibrillated cellulose (MFC) processed at varying energy levels. The research provides a systematic evaluation of these…

Advanced Cellulose Research StudiesNatural Fiber Reinforced CompositesHygrothermal properties of building materials

Impedance Spectroscopy Analysis of Field-Assisted Sintered Sr- and Mg-Doped Lanthanum Gallate

S.L. Reis、Cyrile F. N. Gonin、Thiago N. Machado 等 6 位作者2026-08-18Materials

In this study, the relationship between the microstructure and electrical conductivity of doped lanthanum gallate was investigated to identify the origin of the relatively high resistivity of the grain boundaries in this ceramic solid electrolyte. LaGaO3 containing acceptor dopants, Sr and Mg, was chemically synthesiz…

Advancements in Solid Oxide Fuel CellsLuminescence Properties of Advanced MaterialsGa2O3 and related materials

System-Level Evolution of Optoelectronic Imaging Systems Enabled by Metasurfaces and Computational Imaging

Zizheng Gao、Cheng Fei、Junliang Liu 等 4 位作者2026-08-18ACS Photonics

Abstract Optoelectronic imaging systems are crucial for various sectors, but traditional designs (traditional optoelectronic imaging systems and traditional computational imaging systems) suffer from complexity, limited multidimensional optical information utilization, and a lack of system-level optimization. Metasurf…

Metamaterials and Metasurfaces ApplicationsAdvanced Wireless Communication TechnologiesRandom lasers and scattering media

Polymer-Driven Self-Templated Synthesis of Boronate-COF Hollow Spheres: Toward the Development of Size-Selective Nanoreactors

Pauline Salaün、Bahae‐Eddine Mouloud、Élodie Richard 等 9 位作者2026-08-18ACS Applied Materials & Interfaces

Covalent organic frameworks are a family of porous crystalline structures gaining attention due to their promising applications. However, despite significant efforts, the synthesis and understanding of uniform and specific morphologies remain a challenge. Herein, we report the first self-templated synthesis of hollow…

Covalent Organic Framework ApplicationsMetal-Organic Frameworks: Synthesis and ApplicationsOrganoboron and organosilicon chemistry

Advances in applications of chiral biomaterials in bone regeneration

Ruoxi Liang、Yifan Xu、Shuyu Xu 等 4 位作者2026-08-18Advanced Composites and Hybrid Materials

Chirality, a fundamental property of nature, plays a pivotal role in regulating cell fate and promoting tissue regeneration. Owing to their distinctive stereochemical properties and the inherent chiral selectivity of biological systems, chiral biomaterials offer novel strategies to address the immense clinical demands…

Hydrogels: synthesis, properties, applicationsSurface Chemistry and CatalysisSupramolecular Self-Assembly in Materials

Resolution-standardized evaluation of ligand atomic coordinates in crystallographic structures using machine learning

Ikuko Miyaguchi、H. Hata、Takaaki Kuribayashi 等 10 位作者2026-08-18bioRxiv (Cold Spring Harbor Laboratory)

Abstract Accurate assessment of ligand coordinate–density consistency across different resolutions remains challenging in macromolecular crystallography. We introduce the atomic Box Correlation Coefficient (aBCC), an atom-level metric for evaluating the consistency between ligand atomic coordinates and electron densit…

Machine Learning in Materials ScienceProtein Structure and DynamicsEnzyme Structure and Function

Atomic Layer Deposition grown semiconductor for Uv- Vis photodetectors, Transparent, electronic devices and optoelectronic devices / sensors

REVA University2026-08-18Zenodo (CERN European Organization for Nuclear Research)

Atomic Layer Deposition of Oxide Semiconductors for UV/Visible Photodetectors and Transparent Electronics" — A literature review synthesizing recent advances in ALD-grown wide-bandgap oxide semiconductors (Ga2O3, ZnO, ZnGaO) for solar-blind and deep-UV photodetection, and amorphous oxide semiconductors (ZnO, IGZO-fami…

ZnO doping and propertiesGa2O3 and related materialsThin-Film Transistor Technologies

Flow-history engineering of starch-based edible foams through restriction–diverging die design

Daniele Tammaro、C. Esposito、Gaetano D’Avino 等 5 位作者2026-08-18Food Hydrocolloids

Starch-water systems can be structured by extrusion into expanded edible matrices, where water acts simultaneously as a plasticizer, controlling matrix mobility, and as an internal blowing agent, driving vapor-induced expansion at the die exit. The resulting cellular architecture governs density, cell connectivity, an…

Pickering emulsions and particle stabilizationPolymer Foaming and CompositesFood composition and properties

Penrose Tilings: Aperiodic 5-Fold Symmetry and the Golden Ratio in Quasicrystals — E8 Intelligence Research

Andrew Stewart Caldin2026-08-18Zenodo (CERN European Organization for Nuclear Research)

FINDING: Penrose tilings are aperiodic, 5-fold symmetric tilings that violate classical crystallographic restrictions, forming the basis for quasicrystal discovery. | MATH: Golden ratio φ = (1+√5)/2 ≈ 1.618; inflation/deflation scaling by φ; 5-fold rotational symmetry forbidden in periodic crystals; matching rules enf…

Quasicrystal Structures and PropertiesMineralogy and Gemology StudiesCrystal Structures and Properties

Właściwości przeciwbakteryjne i grzybostatyczne modyfikowanych folii polietylenowych

Izabela Gajlewicz2026-08-18PRZEMYSŁ CHEMICZNY

Wydawnictwo SIGMA-NOT wydaje czasopisma fachowe informujące swoich czytelników o najnowszych osiągnięciach naukowych i nowoczesnych rozwiązaniach technicznych w Polsce i na świecie, popularyzuje problemy techniczne oraz poszerza wiedzę i kulturę techniczną.

Tribology and Wear AnalysisAntimicrobial agents and applicationsPolymer crystallization and properties

A Multizonal Silk Cryogel Platform for Tissue-Engineered Heart Valves

Zac Och2026-08-18UNSWorks (University of New South Wales, Sydney, Australia)

Cardiovascular disease remains the leading cause of mortality worldwide, and aortic valve disease is becoming increasingly prevalent as populations age. Despite this growing demand, current clinical valve replacements still suffer from limited durability, with valve deterioration detectable as early as 5 years post im…

3D Printing in Biomedical ResearchSilk-based biomaterials and applicationsElectrospun Nanofibers in Biomedical Applications

Python Codebase for Automated SEM Image Analysis, Phase Segmentation, and Spatial Dispersion Mapping of Particle-Modified Epoxy

Wing Lam Tsang2026-08-18Zenodo (CERN European Organization for Nuclear Research)

This repository contains a dedicated Python analysis script (Jupyter Notebook / Google Colab format) for automated Scanning Electron Microscopy (SEM) image analysis, dual-phase segmentation, and spatial dispersion mapping of multiphase polymer nanocomposites. The codebase automates the quantitative microstructural cha…

Polymer crystallization and propertiesComposite Material MechanicsPolymer Nanocomposites and Properties

Ice Crystal Battery: From Site-Responsive Chemical Cultivation to Self-Powered Energy Storage —— A Key Milestone for the Interstellar Era

Jiahui Lian2026-08-18Open MIND

English Version This project presents the complete theoretical and experimental framework of the Ice Crystal Battery (ICB) —— a novel self-powered energy storage system based on the ordered hydrogen-bond network of Ice XXI (ice XXI) lattice, enabled by Site-Responsive Chemical Cultivation as a new material constructio…

Perovskite Materials and ApplicationsAdvanced Energy Technologies and Civil Engineering InnovationsChemical and Physical Properties of Materials

Analysis of electronic properties of three-layer graphene with rotation of the middle layer by angle ???? using DFT

Sayed Adnan Mosavi、Mohammad Yonus Wafa、Nooruddin Mavlawizada 等 4 位作者2026-08-18International Journal of Natural Sciences and Mathematics

Graphene has rapidly attained a prominent position in materials science and condensed-matter physics research. This strictly two-dimensional, atomically thin material exhibits outstanding crystalline quality and exceptional electronic properties. Despite its relatively short history in scientific investigation, graphe…

2D Materials and ApplicationsGraphene research and applicationsAdvanced Physical and Chemical Molecular Interactions

Atomic‐Scale Detection of Néel Vector Switching in the Single‐Layer A‐Type Antiferromagnet Cr 2 S 3 ‐2D

Affan Safeer、Calisa Dias、Mahdi Ghorbani‐Asl 等 12 位作者2026-08-18Advanced Materials

ABSTRACT The detection of Néel vector switching in a single‐layer A‐type antiferromagnet marks an important step toward functional two‐dimensional spintronics. Here, ‐2D, grown on graphene on Ir(110), is established as a first single‐layer A‐type antiferromagnet. Spin‐polarized scanning tunneling microscopy reveals hy…

2D Materials and ApplicationsTopological Materials and PhenomenaGraphene research and applications

Star-shaped polypeptide hydrogels as 3D printable feedstocks for tissue engineering

Muireann Cosgrave2026-08-18Royal College of Surgeons in Ireland

This thesis contains works on polypeptide hydrogels for tissue engineering. Although synthetic, their derivation from amino acids grants biocompatibiltiy with increased mechanical performance when compared to natural alternatives. The synthesis of the polypeptides was altered to faciley change the method of 3D printin…

Supramolecular Self-Assembly in Materials3D Printing in Biomedical ResearchHydrogels: synthesis, properties, applications

Bioplastics for a Circular Economy: Feedstocks, Processing, Lifecycle Sustainability, and Pathways to Industrial Scale

Subin Antony Jose、Elijah Biggs、Austin Bianchi 等 6 位作者2026-08-18Macromol—A Journal of Macromolecular Research

The global plastic pollution crisis demands a fundamental re-evaluation of materials systems beyond incremental improvements to fossil fuel-based polymers. Bioplastics, polymers derived from renewable biological feedstocks, biodegradable under defined conditions, or both, offer a chemically diverse and rapidly evolvin…

biodegradable polymer synthesis and propertiesMicroplastics and Plastic PollutionNanocomposite Films for Food Packaging

Topological Flux Screening and Causal-AI Discovery of Persistent Superconducting Channels in Miassite (Rh17S15) and Novel Intermetallic Lattices

László János Németh2026-08-18Zenodo (CERN European Organization for Nuclear Research)

Conventional superconductivity models, notably the Bardeen-Cooper-Schrieffer (BCS) theory, rely heavily on phonon-mediated electron pairing within continuous thermodynamic frameworks, often failing to explain unconventional or high-temperature superconducting anomalies in complex crystal lattices. Building upon the En…

Machine Learning in Materials ScienceTopological Materials and PhenomenaInorganic Chemistry and Materials