Results 121 to 130 of about 3,464 (263)

Achieving Chemical Accuracy in Cyclodextrin Host–Guest Binding via Integrative Atomistic Modelling

open access: yesAdvanced Science, EarlyView.
A generalizable computational framework is presented that overcomes long‐standing challenges in modelling cyclodextrin host‐guest binding by integrating host‐specific force‐field refinement, equilibrium enhanced sampling, nonequilibrium alchemical switching, convolution sampling of independent works, rigorous finite‐size corrections, and QM‐based ...
Xiaohui Wang   +7 more
wiley   +1 more source

Comparative Assessment of Discharge Process in Ali-ebne Abitaleb and Quaem Hospitals

open access: yesمدیریت اطلاعات سلامت, 2010
Introduction: There is not enough time for any organization to experience everything by itself but it is possible to compare its processes with other organizations in order to fulfill its functions effectively. The main aim of this research was to assess
Ali Kebriaei   +2 more
doaj  

Interfacially Coupled and Synergistic Effect of Ag/Co3O4‐C Nanocomposites for Enhanced Oxygen Reduction (ORR) and Evolution (OER) Reaction

open access: yesAdvanced Science, EarlyView.
Ag/Co3O4–C nanocomposites display well‐resolved lattice fringes and synergistic Ag/Co3O4 heterointerfaces that enhance charge transfer and active‐site exposure. The structural design enables superior bifunctional ORR/OER performance in alkaline media by promoting efficient adsorption and turnover of oxygen intermediates within an optimized ...
Adnan Qaseem   +8 more
wiley   +1 more source

EducatePlus: 2012 benchmarking survey [PDF]

open access: green, 2012
Katie McDonald, Wendy Scaife
openalex  

Photoacoustic Microscopy for Multiscale Biological System Visualization and Clinical Translation

open access: yesAdvanced Science, EarlyView.
Photoacoustic microscopy (PAM) is a powerful biomedical imaging tool renowned for its non‐invasiveness and high resolution. This review synthesizes recent technological advances and highlights their broad applications from cellular and organ‐level to whole‐animal imaging.
Tingting Wang   +3 more
wiley   +1 more source

Unsupervised Hierarchical Symbolic Regression for Interpretable Property Modeling in Complex Multi‐Variable Systems

open access: yesAdvanced Science, EarlyView.
UHSR translates complex chemical behavior into clear and explainable equations. Applied to thin‐layer chromatography, it automatically uncovers the mathematical rules linking a molecule's structure to its polarity. This approach matches the accuracy of advanced AI while providing interpretable results, earning greater trust from chemists. The method is
Siyu Lou   +4 more
wiley   +1 more source

Electronic Interaction at Cu–O–Ni Heterointerface Promotes Electrocatalytic Nitrate Reduction to Ammonia and Zinc‐Nitrate Battery

open access: yesAdvanced Science, EarlyView.
The strong Cu–O–Ni electronic interaction in the heterostructured catalyst can enhance the effective adsorption of NO3− and accelerate the in situ hydrolysis dissociation of the hydrogenation step. The Zn‐NO3 hybrid battery assembled with this catalyst achieves an open‐circuit voltage of 1.45 V, a peak power density of 6.47 mW cm−2, and can ...
Taozhi Lv   +5 more
wiley   +1 more source

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