Results 51 to 60 of about 25,136 (173)

Assessing Mesoscale Heterogeneities in Hard Carbon Electrodes Through Deep Learning‐Assisted FIB‐SEM Characterization, Manufacturing and Electrochemical Modeling

open access: yesAdvanced Energy Materials, EarlyView.
A combination of discrete and finite element method models for the current collector deformation and electrochemical performance analysis, respectively. The models are calibrated and validated with electrochemical and imaging data of hard carbon electrodes. These electrodes were manufactured with different parameters (slurry solid contents of 35 and 40
Soorya Saravanan   +12 more
wiley   +1 more source

Design Principles of Electrocatalysts for Industrial‐Scale Water Electrolysis

open access: yesAdvanced Energy Materials, EarlyView.
This Review distills electrocatalyst design for industrial‐scale water electrolysis into integrated principles linking active‐site engineering, phase and lattice modulation, interfacial microenvironment regulation and mass‐transport control. By connecting catalyst families with HER/OER mechanisms and practical operating demands, it outlines pathways ...
Hong Tang, Cui Ce, John Wang
wiley   +1 more source

Secondary Site Ligand for Integrin αVβ3 Enables Targeted mRNA Delivery

open access: yesAngewandte Chemie, EarlyView.
Non‐orthosteric, low‐affinity ligands for integrin αVβ3, identified by fragment screening, achieve superselective nanoparticle targeting (ακ ≈ 3) of αVβ3‐overexpressing endothelial cells. Unlike traditional arginine–glycine–aspartate decorated particles, these fragment‐functionalized LNPs discriminate cells by receptor density and deliver mRNA to ...
Sebastian Bayer   +7 more
wiley   +2 more sources

Synthesis of functionalized polyolefins in a new continuous bench‐scale reactor apparatus

open access: yesAIChE Journal, EarlyView.
Abstract In‐reactor functionalized polyolefins (FPOs), produced by molecular catalysts, are a new class of polymer materials with applications ranging from high performance adhesives to bitumen compatibilization. In this work, we disclose a procedure for the synthesis of FPOs in a new Continuous Bench‐scale Reactor Apparatus (COBRA).
Miloud Bouyahyi   +7 more
wiley   +1 more source

Beyond Simple Mimicry: Next‐Generation Geometric Architectures and Future Paradigms in Small‐Molecule and Macrocyclic Peptidomimetics

open access: yesAngewandte Chemie, EarlyView.
Peptide‐to‐Small Molecule Paradigm: Peptidomimetics have evolved from simple mimicry toward drug‐like scaffolds supported by increasing clinical successes. This Perspective highlights the geometric design principles—linear repetition, convergent fusion, and cyclization—defining the next‐generation peptidomimetic architectures capable of targeting ...
Jesang Lee   +5 more
wiley   +2 more sources

Toward Knowledge‐Guided AI for Inverse Design in Manufacturing: A Perspective on Domain, Physics, and Human–AI Synergy

open access: yesAdvanced Intelligent Discovery, EarlyView.
This perspective highlights how knowledge‐guided artificial intelligence can address key challenges in manufacturing inverse design, including high‐dimensional search spaces, limited data, and process constraints. It focused on three complementary pillars—expert‐guided problem definition, physics‐informed machine learning, and large language model ...
Hugon Lee   +3 more
wiley   +1 more source

Flavin Catalysts in Organic Synthesis

open access: yesAngewandte Chemie, EarlyView.
Flavins and their congeners are potent catalysts for organic synthesis inspired by enzymatic transformations. In addition to catalysis in the flavin ground state via covalent intermediates, the excited singlet and triplet states unlock applications including photooxidation, photoreduction, and energy transfer via sensitization.
Jan Freudenberg, Golo Storch
wiley   +2 more sources

DeepMapper: Attention‐Based AutoEncoder for System Identification in Wound Healing and Stage Prediction

open access: yesAdvanced Intelligent Discovery, EarlyView.
The authors develop a deep learning model for real‐time tracking of wound progression. The deep learning framework maps the nonlinear evolution of a time series of images to a latent space, where they learn a linear representation of the dynamics. The linear model is interpretable and suitable for applications in feedback control.
Fan Lu   +11 more
wiley   +1 more source

Tunable Oxygen Connectivity in Carbaporphyrinoid Polymers on Metal Surfaces

open access: yesAngewandte Chemie, EarlyView.
Hydroxyl‐functionalized dicarbaporphyrinoid polymers synthesized on Au(111) enable tunable oxygen‐mediated connectivity under UHV conditions. Thermal activation yields one‐dimensional hydroxyl‐terminated polymers that can selectively evolve into either covalently‐linked dibenzo‐p‐dioxane architectures through intermolecular C–O–C coupling or two‐fold ...
Alberto Martínez‐Bajo   +14 more
wiley   +2 more sources

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

open access: yesAdvanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi   +2 more
wiley   +1 more source

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