Results 181 to 190 of about 19,239 (301)

Water‐Mediated Phosphoryl Wires Stabilize Pathological Tau Fibrils

Angewandte Chemie, EarlyView.
Extended 1D phosphoryl “wires” stabilize in‐register amyloid tau fibrils, as demonstrated by multiple‐quantum spin‐counting NMR, TEM, and MD simulations, using fibrils of tau peptide jR2R3‐P301L (tau295–313) with phosphorylation at S305 or Y310. ABSTRACT Hyperphosphorylation of tau is a hallmark of tauopathies, with specific phosphorylation sites ...
Lokeswara Rao Potnuru, Austin DuBose, Fiona Mon, Mesopotamia S. Nowotarski, Michael Vigers, Boqin Zhang, Chung‐Ta Han, John E. Straub, Songi Han   +8 more
wiley   +2 more sources

A First-Principles Thermodynamic Uncertainty Relation for Shortcuts to Adiabaticity. [PDF]

Entropy (Basel)
Perna GE, Centrone F, Calzetta E.
europepmc   +1 more source

Predicting Crystal Structures and Ionic Conductivities in Li3YCl6−xBrx Halide Solid Electrolytes Using a Fine‐Tuned Machine Learning Interatomic Potential

Advanced Intelligent Systems, EarlyView.
This study refines the Crystal Hamiltonian Graph Network to predict energies, structures, and lithium‐ion dynamics in halide electrolytes. By generating ordered structural models and using an iterative fine‐tuning workflow, we achieve near‐ab initio accuracy for phase stability and ionic transport predictions.
Jonas Böhm, Aurélie Champagne
wiley   +1 more source

Iterative Synthesis of Pyrene–Coronene Molecular Graphene Nanoribbons

Angewandte Chemie, EarlyView.
An iterative approach delivers a new family of undoped, cove‐edged graphene nanoribbons with lengths up to 9.1 nm that exhibit both molar absorptivity and fluorescence brightness values on the order of 105 M−1 cm−1 and an intrinsic charge‐carrier mobility of 475 ± 32 cm2 V−1 s−1.
Miguel A. Medel, Guanzhao Wen, Adrián Morón‐Blanco, Mischa Bonn, Hai I. Wang, Manuel Melle‐Franco, Aurelio Mateo‐Alonso   +6 more
wiley   +2 more sources

A Geometry of Hamiltonian Mechanics. [PDF]

Entropy (Basel)
Elgressy G, Horwitz L.
europepmc   +1 more source

Disentangling Aleatoric and Epistemic Uncertainty in Physics‐Informed Neural Networks: Application to Insulation Material Degradation Prognostics

Advanced Intelligent Systems, EarlyView.
Physics‐Informed Neural Networks (PINNs) provide a framework for integrating physical laws with data. However, their application to Prognostics and Health Management (PHM) remains constrained by the limited uncertainty quantification (UQ) capabilities.
Ibai Ramirez, Jokin Alcibar, Joel Pino, Mikel Sanz, Jose I. Aizpurua   +4 more
wiley   +1 more source

Reductive Activation of White Phosphorus to [P4]2–, [P2]2–, and a Formal P2– Radical by Rare‐Earth Dinitrogen Complexes

Angewandte Chemie, EarlyView.
Masked divalent yttrium and gadolinium dinitrogen complexes mediate the fragmentation of white phosphorus, converting P4 into discrete dimetallic complexes of [P4]2– and [P2]2– ligands, and an unprecedented monatomic P2– radical ligand. Structural, spectroscopic, magnetic, and DFT studies reveal insight into the bonding between these unusual Pn units ...
Arpan Mondal, Richard A. Layfield
wiley   +2 more sources

Accurate simulations of magnetic excitations in the neutron simulation package <i>McStas</i>. [PDF]

J Appl Crystallogr
Schack SB, Krighaar KML, Lenander EY, Lefmann K.   +3 more
europepmc   +1 more source

Identifying Dynamical Quantum Phase Transitions With a Migratable Quantum‐Classical Hybrid Neural Network

Advanced Intelligent Systems, EarlyView.
A hybrid quantum‐classical architecture is introduced to accurately identify dynamical quantum phase transitions from time‐evolved quantum states. The QCNN serves as a quantum dynamical feature extractor, while the classical network learns temporal correlations from a low‐dimensional readout sequence. The framework attains high accuracy, remains robust
Daili Li, Xin–Xin Yang, Xiaoting Wang, Wei Zhang   +3 more
wiley   +1 more source

Glycine‐Induced Unique Crystal Packing of Octacyanidetungstates With Strong Intermolecular Antiferromagnetic Interaction, Near‐Infrared Emission, and Second Harmonic Generation

Angewandte Chemie, EarlyView.
Glycine molecules induce a unique crystal packing into a supramolecular one‐dimensional columnar structure of octacyanidotungstates, which exhibits exceptionally strong antiferromagnetic superexchange interactions of J = −42.41(2) K between adjacent octacyanidotungstate units.
Tatsuya Konishi, Koji Nakabayashi, Kunal Kumar, Takeshi Suzuki, Kozo Okazaki, Masataka Kobayashi, Hidefumi Akiyama, Kouji Chiba, Shin‐ichi Ohkoshi   +8 more
wiley   +2 more sources