Results 171 to 180 of about 7,674 (246)
Advanced Intelligent Systems, EarlyView.A physics‐guided deep learning framework, ParamNet, is introduced for the intelligent self‐inversion of vacuum optical tweezers. By fuzing dual‐branch time–frequency features with physical dynamical constraints, it achieves high‐accuracy calibration of trap parameters from short‐window, low‐frequency trajectories, outperforming traditional methods ...
Qi Zheng +4 more
wiley +1 more source
Redirecting a Native Ene‐Reductase Toward Desaturation With Reverse Enantioselectivity
Angewandte Chemie, EarlyView.A native ene‐reductase, XenA, was repurposed to catalyze the reverse‐enantioselective desaturation of cyclohexanones. The final variant was obtained through extensive protein engineering, combining PROSS‐guided computational design with mutagenesis and screening.
Qing‐Qing Zeng +4 more
wiley +2 more sources
PPO‐Based Reinforcement Learning for the Semi‐Active Vibration Control of MDOF Platform
AI &Innovation, EarlyView.ABSTRACT Aiming at the coupled vibration problem of a multi‐degree‐of‐freedom (MDOF) vibration isolation platform under eccentric excitation, this paper proposes a semi‐active vibration control strategy based on Proximal Policy Optimization (PPO) ‐based reinforcement learning (PPO RL).
Wei Huang, Jian Xu
wiley +1 more source
A Borane Sandwich Analogue of Ferrocene
Angewandte Chemie, EarlyView.The first ferrocene analogue with two boron‐based ligands is identified through a global exploration of the FeB10H20 potential energy surface. The η5,η5‐Fe(B5H10)2 complex emerges as the global minimum, showing that metal coordination inverts borane stability and enables aromatic boron rings inaccessible in isolation.
Viviana Roman‐Ventura +8 more
wiley +2 more sources
An efficient algorithm for multipole energies and derivatives based on spherical harmonics and extensions to particle mesh Ewald. [PDF]
J Chem Phys, 2014 Simmonett AC +3 more
europepmc +1 more source
Angewandte Chemie, EarlyView.The Sabatier principle and volcano plots declare that optimal electrocatalysis is found in the middle between strong and weak binding of key intermediates. However, it is shown here that during anion electroreduction, strong and weak binding are potential‐dependent concepts and volcanoes are mobile.
Mattia Salomone +2 more
wiley +2 more sources
SFTGNN: An Efficient Spherical Fourier Transform-Enhanced Graph Neural Network for High-Accuracy Crystal Property Prediction. [PDF]
ACS OmegaJiang Z, Tian H.
europepmc +1 more source
Comment on “Can Charge Transfer Across C─H···O Hydrogen Bonds Stabilize Oil Droplets in Water?”
Angewandte Chemie, EarlyView.Nanoscale oil droplets in water are kinetically stable and charged, with a pH dependent electrophoretic mobility. Although the source of this charge is agreed to arise from water, 2 main hypotheses remain: OH− adsorption or electronic charge density displaced via hydrogen bonds. Molecular surface specific experiments are reviewed, that all point to the
P. Singh +3 more
wiley +2 more sources
Angewandte Chemie, EarlyView.Color‐pure all‐organic emitters, i.e., with narrow spectral characteristics, are intensively studied for high‐definition organic LEDs and multi‐color bioimaging. In order to guide targeted materials design, this educative review discusses spectral characteristics, proper definitions and units, and the physical basis of spectral broadening, to distill ...
Johannes Gierschner +6 more
wiley +2 more sources
Fourier Plane Tomographic Spectroscopy Reveals Orientation-Dependent Multipolar Plasmon Modes in Micrometer-Scale Janus Particles. [PDF]
ACS NanoPatzschke FH, Cichos F.
europepmc +1 more source