Results 41 to 50 of about 115,972,212 (199)

Predicting DNA Reactions with a Quantum Chemistry-Based Deep Learning Model [PDF]

DNA reactions are crucial in biology, synthetic biology, and DNA computing. Accurate prediction of thermodynamic and kinetic parameters is vital for understanding molecular interactions and designing functional DNA-based systems.
Na, Li, Li, Li, Yun, Zhu, Mengyao, Cao, Likun, Wang, Xiewei, Xiong, Tong, Zhu, Hao, Pei   +7 more
core   +1 more source

Quantum theory of reactive scattering in phase space [PDF]

, 2010
We review recent results on quantum reactive scattering from a phase space perspective. The approach uses classical and quantum versions of normal form theory and the perspective of dynamical systems theory.
Brandas, E, Wiggins, S.,, Stephen Wiggins, Waalkens, Holger, Waalkens, H., Roman Schubert, Goussev, Arseni, Schubert, Roman, Wiggins, S., Waalkens, H.,, Holger Waalkens, Wiggins, Stephen, Goussev, A., Nicolaides, CA, Schubert, R., Goussev, A.,, Arseni Goussev, Schubert, R.,   +17 more
core   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Advanced Materials for Biologics Delivery to Brain Tumors

Advanced Materials, EarlyView.
Material innovation is central to unlocking the therapeutic potential of biologics against many central nervous system diseases, including brain cancer. By engineering carriers with controlled transport, targeting, and release properties, advanced materials can overcome the blood–brain barrier and tumor microenvironment, improving the delivery of ...
Yuran Feng, Yuxue Cao, Maria Kavallaris, Taskeen Janjua, Amirali Popat   +4 more
wiley   +1 more source

From Surface to Bulk Activation: Tailoring the Porosity and Surface Chemistry of Resorcinol‐Formaldehyde Carbon Sorbents for Atmospheric Water Harvesting

Advanced Materials Interfaces, EarlyView.
A bulk activation route to produce nanoporous carbons for atmospheric water harvesting by incorporating potassium hydroxide during resorcinol‐formaldehyde polycondensation. These high‐oxygen sorbents deliver daily water yields up to 23 L kg−1 day−1 with great cyclability, providing a scalable solution for water production in diverse climates.
SeyedEmad AlaviTabari, Simon Ponton, Maëlle Roncière, Richard Boudreault, Pierre‐Luc Girard‐Lauriault, Jason Robert Tavares   +5 more
wiley   +1 more source

Advanced MXene‐Based Multifunctional Nanoarchitecture Materials Engineered for Adsorptive Cleanup of Hazardous Radioactive Pollutants: A Comprehensive Critical Review

Advanced Materials Interfaces, EarlyView.
This work critically reviews MXenes as highly effective multifunctional nanomaterials for the adsorption of radio‐contaminants, demonstrating a remarkable adsorption capacity of up to 1376.75 mg/g and cyclic stability of 2–8 cycles, with complexation, electrostatic interactions, and the numerical strength of MXene active sites playing a key operational
Stephen Sunday Emmanuel, Shepherd M. Tichapondwa   +1 more
wiley   +1 more source

Recent Advances in Plasma‐Enhanced Atomic Layer Etching for Next‐Generation Nanofabrication

Advanced Materials Interfaces, EarlyView.
Continued semiconductor miniaturization demands atomic‐scale patterning and ultralow surface roughness beyond the capabilities of conventional reactive ion etching. This review highlights advances in isotropic and anisotropic plasma‐enhanced atomic layer etching since 2020, covering fundamental mechanisms, applications across major semiconductor ...
Shih‐Nan Hsiao
wiley   +1 more source

The Evolution of Aerosol Jet Printing, A Review: Enhancing Material Versatility and Improvements for Next‐Generation Applications

Advanced Materials Technologies, EarlyView.
Aerosol Jet Printing (AJP) has emerged as a versatile additive manufacturing technique for high‐resolution, conformal, and multi‐material printing. This review highlights advances in printable materials, substrate compatibility, post‐processing, characterization, and process innovations, while critically discussing current challenges and future ...
Chandrachur Chatterjee, Rocco Lupoi, Michael J. Gibbons   +2 more
wiley   +1 more source

Passive Directional Water Transport on Superhydrophobic Gradient Textures Fabricated by Direct Laser Interference Patterning

Advanced Materials Technologies, EarlyView.
Microstructures fabricated by two‐beam DLIP combining spatial‐period and roughness gradients are fabricated to enhance directional transport of water droplets. The coupled gradients increase transport distance by 160% and strongly suppress motion against the gradient, demonstrating an effective strategy for controlled droplet manipulation.
Tianhao Wu, Marcos Soldera, Fabian Ränke, Andrés Fabián Lasagni   +3 more
wiley   +1 more source

Stereodynamics of chemical reactions: quasi-classical, quantum and mixed quantum-classical theories

, 2012
In this review, some benchmark works by Han and coworkers on the stereodynamics of typical chemical reactions, triatomic reactions H + D-2, Cl + H-2 and O + H-2 and polyatomic reaction Cl+CH4/CD4, are presented by using the quasi-classical, quantum and ...
Zhao, Guangjiu, 赵广久, Xu, Wenwu
core   +1 more source