Results 111 to 120 of about 4,458,384 (285)

Dynamic Observation of Lacy Pattern Formation in a Bone Tissue Model Using Liquid Phase Scanning Transmission Electron Microscopy

Advanced Functional Materials, EarlyView.
Here, we establish a low‐dose liquid‐phase electron microscopy workflow for real‐time observation of biological processes in hydrated conditions. Beam damage is reduced by imaging only 20% of the pixels and reconstructing the complete image using an inpainting algorithm.
Luco Rutten, Avital Wagner, Rona Roverts, Luco Buise, Ben Joosten, Anat Akiva, Elena Macías‐Sánchez, Nico Sommerdijk   +7 more
wiley   +1 more source

Unexpected Asymmetric Mn‐Sb Site Mixing and Reentrant Spin‐Glass State of MnSb2Te4

Advanced Functional Materials, EarlyView.
MnSb2Te4 is an intrinsic magnetic topological insulator. Its properties are extraordinarily sensitive to tiny defects, making structural studies essential for understanding how magnetism and topology work together. This work shows that Mn can be unevenly distributed within the crystal and how that disorder is linked to a newly reported spin‐glass state
Gustavo Chavez Ponce de Leon, Ahmad Dibajeh, Gert ten Brink, Majid Ahmadi, Suyang Sun, Wei Zhang, Bart Jan Kooi, George Palasantzas   +7 more
wiley   +1 more source

A Universal Quantum Descriptor for Electron Correlation in Molecular Systems: The Fbond Framework

Predicting which molecular systems require post-Hartree-Fock treatment remains a fundamental challenge in quantum chemistry. We introduce Fbond, a universal descriptor that quantifies electron correlation strength through the product of HOMO-LUMO gap and maximum single-orbital entanglement entropy. Validation across seven representative molecules using
openaire   +1 more source

Nanoamphizymes: Self‐Assembled Amphiphilic Enzymatic Nanomaterials for High‐Performance Biocatalysis and Biosensing

Advanced Functional Materials, EarlyView.
An amphiphilic GOx nanoamphizyme was constructed by covalently introducing hydrophobic PPNI linkers onto GOx, enabling spontaneous self‐assembly into tunable nanoparticles. Mild crosslinking further stabilized the assemblies and enhanced catalytic performance and stability.
Yuan‐Hao Hsiao, Rajan Deepan Chakravarthy, Po‐Hsiang Chen, Abdelreheem Abdelfatah Saddik, Hsin‐Chieh Lin   +4 more
wiley   +1 more source

Spectral Quantum Chemistry and Infrared Resonance Library for Data-Driven Molecular Spectroscopy

Scientific Data
Infrared (IR) spectroscopy is a fundamental tool for molecular identification and characterization, yet comprehensive IR spectral databases remain limited, particularly for small organic molecules with well-defined theoretical baselines.
Anirudh Krishnadas, Jatin Kansal, Nicholas E. Charron, Anita Ragyanszki   +3 more
doaj   +1 more source

DFT-QTAIM Study of Gold Nanoparticles and Cyclic Peptide as Effective Drug Nanocarriers

Orbital: The Electronic Journal of Chemistry, 2020
In this study, cyclic peptide (CP) with cyclooctaglycine model and gold nanoparticles (AuNP) with Au6 cluster model were used to examin the function of penicillamine (PCA) drug on ten different configurations of cyclic peptide-gold nanoparticles (CPAuNP).
Bahareh Khoshbayan, Ali Morsali, Safar Ali Beyramabadi, Mohammad Reza Bozorgmehr   +3 more
doaj  

Insulating‐Passivating Interfaces for Narrow‐Bandgap Tin‐Lead Perovskites Enable High‐Photovoltage in Single‐ and Double‐Junction Solar Cells

Advanced Functional Materials, EarlyView.
Combining field‐effect surface passivation of a narrow‐bandgap tin–lead perovskite by diammonium ions with introducing oleyl‐based amphiphiles to create insulating interface layers between the absorber and the adjacent hole and electron transporting layers increases the open‐circuit voltage to 91.5% of the detailed‐balance limit and enhances the power ...
Vishnu Vijayakumar, Christ H. L. Weijtens, Laura Bellini, Nick R. M. Schipper, Isabella Taupitz, Maxim Simmonds, Johannes C. Lambooij, Anuja Vijayan, Lana M. Kessels, Simon V. Quiroz Monnens, Guus J. W. Aalbers, Willemijn H. M. Remmerswaal, Stefan C. J. Meskers, Shuaifeng Hu, Junke Wang, Martijn M. Wienk, Henry J. Snaith, Steve Albrecht, René A. J. Janssen   +18 more
wiley   +1 more source

Quantum Machine Learning for Drug Discovery: From Molecular Descriptors to Explainable Quantum Pharmacology

Recent advances in quantum machine learning (QML) have opened new pathways for accelerating early-stage drug discovery through molecular representation in Hilbert space [1]–[3]. In this work, we present a hybrid quantum–classical framework that integrates quantum kernel estimation and variational quantum neural networks (QNNs) for ligand–target binding
openaire   +1 more source

GeS as an Emerging OTS Material: Atomic Structure and Modeling of ON/OFF Switching

Advanced Functional Materials, EarlyView.
The structural puzzle of glassy GeS, an advanced memory‐selector material, has finally been disentangled, revealing a patchwork of mixed tetrahedral and trigonal species. Under a high electric field, over‐ and under‐coordinated Ge and S defects, together with three‐membered rings, form an interconnected network associated with localized and extended ...
Andrey Tverjanovich, Jörg C. Neuefeind, Chris J. Benmore, Daniele Fontanari, Anton Sokolov, Maxim Khomenko, Shinji Kohara, Aleksei Bytchkov, Takeshi Usuki, Maria Bokova, Mohammad Kassem, Pascal Masselin, Mariana Milochova, Eugene Bychkov   +13 more
wiley   +1 more source

Solvatochromic and Computational Study of Some Cycloimmonium Ylids

Liquids
This article contains a comparative spectral analysis corroborated with the quantum mechanical computations of four cycloimmonium ylids. The spectral shift of the visible electronic absorption band of the studied molecules in 20 solvents with different ...
Daniela Babusca, Andrei Vleoanga, Dana Ortansa Dorohoi   +2 more
doaj   +1 more source