Results 141 to 150 of about 847,053 (257)

Ping–Pong Energy Transfer in a Heteroleptic Mixed‐Chromophore Coordination Cage

open access: yesAngewandte Chemie, EarlyView.
Shape‐complementary assembly (SCA) opens access to Pd(II)‐based heteroleptic cages with mixed‐chromophore composition. Transient absorption studies, supported by calculations, point to a “ping–pong” excitation transfer mechanism, significantly extending excited‐state lifetimes and offering new design principles for light‐harvesting, emissive and ...
Irene Regeni   +9 more
wiley   +2 more sources

Decoupling Quasi‐Solid‐State Sulfur Conversion Mechanisms in Weakly Solvating and Locally High Concentration Electrolytes

open access: yesAdvanced Energy Materials, EarlyView.
Weakly solvating CME–TTE and localized high‐concentration G2–TTE electrolytes redirect lithium–sulfur chemistry toward quasi‐solid‐state conversion through distinct coordination environments. Molecular dynamics and multimodal electrochemical and spectroscopic measurements show that G2–TTE couples multidentate solvent coordination, anion participation ...
Boyi Pang   +12 more
wiley   +1 more source

PRISM, a Bidirectional NMR Foundation Model: From Peak List to Structure and Back

open access: yesAngewandte Chemie, EarlyView.
Structure elucidation from NMR can consume an expert for hours or even days. PRISM addresses this with a bidirectional transformer trained on 1.19 M real experimental spectra: it translates 1H and 13C peak lists into structures with 60.1% stereo‐aware top‐1 accuracy (72.5% stereo‐unaware), and, working in reverse, predicts spectra back from structures,
Ajnabiul Hoque, Frank Glorius
wiley   +2 more sources

Harnessing Machine Learning to Understand and Design Disordered Solids

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley   +1 more source

A Breadth‐First Pruned‐Enriched Rosenbluth Method for Force–Extension Simulations of Confined Semiflexible Chains

open access: yesAdvanced Intelligent Discovery, EarlyView.
The behaviors of semiflexible polymers such as DNA and protein are often reshaped by coupled interactions. Monte Carlo simulations assist in studying these systems. This work recasts the traditional chain‐growth strategy into a new framework: a fixed number of chains grow synchronously, while less relevant chains to the target system are removed and ...
Yihan Zhao, Jizeng Wang
wiley   +1 more source

Implantable Systems for Cardiovascular Treatment and Monitoring: Comparative Insights From Intracardiovascular and Extracardiovascular Technologies

open access: yesAdvanced Intelligent Systems, EarlyView.
A unifying device–cardiovascular interface framework is presented to classify implantable cardiovascular technologies as intracardiovascular blood‐contacting systems or extracardiovascular tissue‐only and blood‐handling architectures. Cross‐class comparison across shared semiquantitative criteria, including blood‐contact burden, biomimicry ...
Bergo Nicolò   +7 more
wiley   +1 more source

Current-induced creation and dynamics of embedded magnetic skyrmion bags. [PDF]

open access: yesNat Commun
Wu Y   +7 more
europepmc   +1 more source

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