Results 191 to 200 of about 263,917 (252)

Calcium‐Mechanochemistry Enabled Ketone Synthesis From Organic Iodides and Carboxylic Acids

open access: yesAdvanced Science, EarlyView.
Mechanochemically generated organocalcium species display unusual chemoselectivity toward carboxylates, enabling direct ketone synthesis without overaddition. Ball milling activates commercial calcium metal under ambient, solvent‐minimized conditions, providing a broad substrate scope, high functional‐group tolerance, and a practical one‐step ...
Mengyao Pei   +9 more
wiley   +1 more source

A Generative Neuro‐Symbolic AI for Protein Sequence Design

open access: yesAdvanced Science, EarlyView.
We introduce EffieDes, a neuro‐symbolic framework coupling deep learning‐based fitness landscape parameterization with exact automated reasoning. Unlike greedy sampling, EffieDes identifies sequences that globally optimize fitness while satisfying intricate design constraints.
Marianne Defresne   +12 more
wiley   +1 more source

Multiscale Modelling of the Electrocatalysis of Microenzymes: Insights Into the Performance of Microperoxidase at an Aqueous/Graphene Interface and Their Exploitation to Improve Performance

open access: yesAdvanced Science, EarlyView.
A novel multiscale MD/DFT framework to elucidate microenzyme adsorption and electron transfer is reported. This method reveals distinct configurations for microperoxidase‐11 on graphene and those best suited for electron transfer. Rate constants align with the limited experimental data, establishing this framework as a tool for optimizing microenzyme ...
Milan Mijajlovic   +6 more
wiley   +1 more source

Theretofore Highest Efficiency in Vacuum‐Deposited Organic Solar Cells Originating From Triarylamine‐Based Small‐Molecule Donors Containing Fused Heterocycle Units

open access: yesAdvanced Science, EarlyView.
Fused‐ring engineering unlocks record efficiency in vacuum‐deposited organic solar cells. By replacing linear π‐bridges with fused‐ring analogues in triarylamine‐based donors, we achieve enhanced molecular planarity, red‐shift optical absorption, minimize energy loss and optimized phase separation.
Yun‐Fei Li   +13 more
wiley   +1 more source

Daily loneliness and subjective well-being as a function of older adults' sexual orientation. [PDF]

open access: yesJ Gerontol B Psychol Sci Soc Sci
Shenkman G   +4 more
europepmc   +1 more source

Design and Engineering of an Artificial Bifunctional N‐Deacetylase/N‐Sulfotransferase for the Biosynthesis of N‐Sulfated Heparosan

open access: yesAdvanced Science, EarlyView.
An artificial bifunctional N‐deacetylase/N‐sulfotransferase was engineered in Escherichia coli by combining screened N‐deacetylases with an NST domain. The integrated engineering strategy improved enzyme performance. The optimized enzyme efficiently converted heparosan into N‐sulfated heparosan, addressing a key bottleneck in microbial heparin ...
Xintong Xi   +8 more
wiley   +1 more source

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