Results 181 to 190 of about 3,218,036 (364)

GED‐CRN Breaks the Data Barrier: High‐Fidelity Electron Density Prediction Using Only 19 Training Molecules

open access: yesAggregate, EarlyView.
GED‐CRN: A Machine Learning Framework for Predicting Electron Density Distributions from Molecular Geometries via a Cube‐Sampling Approach. ABSTRACT We present GED‐CRN, a 3D convolutional residual network that achieves quantum‐chemical accuracy (MAE =7.6×10−4$= 7.6 \times 10^{-4}$ bohr−3${\rm bohr}^{-3}$) in predicting electron densities for AIE‐active
Junyi Gong   +4 more
wiley   +1 more source

α‐Helix‐Driven Regulation of Aqueous Circularly Polarized Luminescence in Homopolypeptide Self‐Assembly

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We explore the hierarchical chirality transfer in self‐assembled fluorescent homopolypeptide systems for achieving aqueous circularly polarized luminescence (CPL), and reveal the α‐helix‐dominated CPL regulation mechanism during the self‐assembly process .
Jinhui Jiang   +10 more
wiley   +1 more source

Confinement‐Enhanced Ultrabright AIE Nanoparticles With Broad Emission for Ultrasensitive Lateral Flow Immunoassay

open access: yesAggregate, EarlyView.
Molecular confinement via polymer network allows for significant emission enhancement (80‐fold) of AIEgen with the exceptional quantum yield of 91%, and ultra‐stable photobleaching after continuous irradiation. Subsequently, by adjusting the filter bandwidth, remarkable signal amplification (2–10 folds) is achieved, and the sensitive detection was ...
Yaxin Hu   +6 more
wiley   +1 more source

In Situ High‐Resolution Imaging of Live Treponema pallidum Using Catalyst‐Free Bioorthogonal Strategy

open access: yesAggregate, EarlyView.
Schematic illustration of labeling live Treponema pallidum using an activated alkyne‐modified AIE chromophore via catalyst‐free bioorthogonal reaction. ABSTRACT Treponema pallidum (T. pallidum) causes syphilis, a sexually transmitted disease that leads to multi‐organ complications and even death. The lack of technology for tracing live T.
Jialin Huang   +9 more
wiley   +1 more source

Benjamin A. Most [PDF]

open access: yesPS, 1987
Harvey Starr   +2 more
openaire   +2 more sources

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