Results 211 to 220 of about 481,445 (263)

Endosomal Escape of siRNA Polyplexes: A Molecular Dynamics Perspective on Underlying Mechanisms

Advanced Functional Materials, EarlyView.
Molecular dynamics simulations reveal distinct endosomal escape mechanisms of siRNA nanoparticles, ranging from electrostatic membrane attachment to hydrophobic membrane fusion. Hydrophobic residues and anionic endosomal lipids emerge as key determinants of membrane disruption, linking molecular interactions to experimental delivery performance and ...
Katharina M. Steinegger, Min Jiang, Florian Belger, Fabian Link, Benjamin Winkeljann, Olivia M. Merkel   +5 more
wiley   +1 more source

Programming Neuromorphic Plasticity Through Ionic and Electronic Coupling in Organic Electrochemical Transistors

Advanced Functional Materials, EarlyView.
Neuromorphic plasticity in OECTs is governed by the post‐stimulus evolution of coupled ionic and electronic states. Semiconductor chemistry and morphology, electrolyte composition and interfaces, and device architecture regulate ion injection, transport, confinement, and release, shifting responses from rapidly relaxing STP to metastable memory and ...
Inho Lee, Hyoik Jang, Ji Hwan Kim, Jonghyun Won, Namhee Kim, Wonseok Shin, Giwon Lee, Eunho Lee, Daegun Kim, Sungjun Park   +9 more
wiley   +1 more source

Molecular Bridges for 2D Nanomaterials

Advanced Functional Materials, EarlyView.
Molecular cross‐linking provides a versatile strategy to engineer interfaces in 2D materials. By tuning the linker backbone, binding mode, and interflake spacing, molecular bridges can regulate charge transport, mechanical integrity, chemical functionality, and processing.
Yudhajit Bhattacharjee, Kevin Synnatschke, Andreas Fery, Hendrik Schlicke   +3 more
wiley   +1 more source

Machine Learning and Structural Analysis for Generation-Wise Selection of Perylene Diimide Dendrimers Based on Topological Compatibility With Drug Molecules. [PDF]

ChemistryOpen
Bibi Z, Ali J, Irshad S, Ghafar MS, Ali Y, Shang Y.   +5 more
europepmc   +1 more source

Selenium‐Integrated Cyanine Dye With Enhanced Photophysical Properties for Optoacoustic‐Guided Cancer Imaging and Therapy

Advanced Functional Materials, EarlyView.
This study introduces selenium‐integrated cyanine dye (Se‐Cyn), with superior photostability, absorption, and photothermal efficiency, outperforming ICG in NIR window. Its nanoparticle form remains stable in water, accumulates in tumors, and enables strong optoacoustic imaging and effective phototherapy outcomes.
Divyesh Shelar, Snehal Salunkhe, Tony Fröhlich, Uwe Klemm, Pia Anzenhofer, Birgit Rathkolb, Martin Hrabě de Angelis, Oliver Plettenburg, Michael Sattler, Sudesh T. Manjare, Vipul Gujrati, Vasilis Ntziachristos   +11 more
wiley   +1 more source

A review on advances in chemical compound toxicology prediction. [PDF]

Front Bioinform
Hagag A, Elsayed NA, Abdelbaky I.
europepmc   +1 more source

Physics-based molecular fingerprints from spectral graph theory provide efficient geometry-aware measures of chemical similarity. [PDF]

Chem Sci
Toney JW, Farnood AY, Darouich S, Kulik HJ.   +3 more
europepmc   +1 more source

POMs-GibbsNet: A Deep Neural Network for the Prediction of Thermodynamic Parameters of Polyoxometalates. [PDF]

J Comput Chem
Buils J, Bo C, Balcells D.
europepmc   +1 more source

Integrating Low-Cost xTB Electronic Priors for Predicting Electronic and Excited-State Properties of Organic Conjugated Molecules. [PDF]

Chemphyschem
Zeng M, Huai L, Liu T, Liu Y, Jiang X.
europepmc   +1 more source

MSGRL: A Motif-Driven Self-Supervised Graph Representation Learning Framework for Interpretable Molecular Property Prediction. [PDF]

Molecules
Wu Y, Jiang Y, Qi X, Fu H, Tang Q, Wang W, Zeng C, Zhu G.   +7 more
europepmc   +1 more source