Results 51 to 60 of about 1,730,064 (335)

Hydrogen bonding in a mixture of protic ionic liquids: a molecular dynamics simulation study.

Physical Chemistry, Chemical Physics - PCCP, 2015
We report results of molecular dynamics (MD) simulations characterising the hydrogen bonding in mixtures of two different protic ionic liquids sharing the same cation: triethylammonium-methylsulfonate (TEAMS) and triethylammonium-triflate (TEATF).
D. Paschek, Benjamin Golub, R. Ludwig
semanticscholar   +1 more source

Revisiting Stability Criteria in Ball‐Milled High‐Entropy Alloys: Do Hume–Rothery and Thermodynamic Rules Equally Apply?

Advanced Engineering Materials, Volume 27, Issue 6, March 2025.
The stability criteria affecting the formation of high‐entropy alloys, particularly focusing in supersaturated solid solutions produced by mechanical alloying, are analyzed. Criteria based on Hume–Rothery rules are distinguished from those derived from thermodynamic relations. The formers are generally applicable to mechanically alloyed samples.
Javier S. Blázquez, Alejandro F. Manchón‐Gordón, Antonio Vidal‐Crespo, Rafael Caballero‐Flores, Jhon J. Ipus, Clara F. Conde   +5 more
wiley   +1 more source

Maximally-localized Wannier Functions in Antiferromagnetic MnO within the FLAPW Formalism

, 2002
We have calculated the maximally-localized Wannier functions of MnO in its antiferromagnetic (AFM) rhombohedral unit cell, which contains two formula units. Electron Bloch functions are obtained with the linearized augmented plane-wave method within both
A. B. Shick, A. Svane, Alfonso Baldereschi, D. Singh, E. Krüger, E. Krüger, G. H. Wannier, H. J. Monkhorst, H.J.F. Jansen, I. Souza, K. Terakura, M. Posternak, Michel Posternak, N. Marzari, Nicola Marzari, R. D. King–Smith, S. Massidda, S. Massidda, S. Massidda, S. Massidda, Sandro Massidda, V. I. Anisimov, W. L. Roth, Z. Szotek   +23 more
core   +1 more source

Composite Electrospun Fibers Containing Optimized B‐ and Cu‐Doped Bioactive Glass Sol‐Gel Particles for Potential Soft Tissue Engineering Applications

Advanced Engineering Materials, EarlyView.
This article describes the preparation and characterization of poly(ε‐caprolactone) electrospun composite fibers incorporating sol‐gel‐derived bioactive glass particles doped with B and Cu. Scanning electron microscopy, energy‐dispersive X‐ray spectroscopy, Fourier‐transform infrared spectroscopy, contact angle, acellular bioactivity, mechanical and ...
Elisa Piatti, Marta Miola, Liliana Liverani, Paolo Sartori, Enrica Verné, Aldo R. Boccaccini   +5 more
wiley   +1 more source

Unlocking the Power of Quercetin‐Encapsulated Mesoporous Bioactive Glass Nanoparticles: A Multifunctional Approach to Bone Regeneration

Advanced Engineering Materials, EarlyView.
Mesoporous bioactive glass nanoparticles (MBGNs) are investigated for bone regeneration given their remarkable structural and functional properties. MBGNs are functionalized with Mn and Cu and incorporated with quercetin, a natural flavonoid exhibiting antioxidant, anti‐inflammatory, and antimicrobial properties.
Giovanni Lo Bello, Qaisar Nawaz, Pier Francesco Ferrari, Laura Pastorino, Roberto Raiteri, Aldo R. Boccaccini   +5 more
wiley   +1 more source

Communication over the network of binary switches regulates the activation of A$_{2A}$ adenosine receptor

, 2014
Dynamics and functions of G-protein coupled receptors (GPCRs) are accurately regulated by the type of ligands that bind to the orthosteric or allosteric binding sites.
Choi, Sun, Hyeon, Changbong, Lee, Yoonji
core   +3 more sources

Adjustment of Coatings Morphology and Particle Distribution of Layered Silicates by Freeze‐Drying for Improved Gas Barriers

Advanced Engineering Materials, EarlyView.
Freeze‐drying of layered silicate is the key to get coatings with superior gas barrier. Freeze‐drying of layered silicates modified with dodecylamine (DDA) is a highly effective technique for the preparation of barrier pigments that significantly mitigate the permeation of oxygen, water vapor, and hydrogen through polymer films containing these ...
Joshua Lommes, Moritz Bätcher, Andrea Deißenberger, Volkmar Stenzel, Andreas Hartwig   +4 more
wiley   +1 more source

Exploring Microstructure–Physical Property–Corrosion Response Relationship in Intermetallic Compounds of Al‐Cu Bimetallic Interfaces

Advanced Engineering Materials, EarlyView.
Al‐Cu intermetallic compounds (IMCs) have a significant influence on the properties of Al‐Cu bimetallic interfaces formed in compound casting. This article provides a deeper understanding of microstructure, crystallography, thermal properties, hardness, and corrosion response of Al‐Cu IMCs with the goal of facilitating the optimization of the ...
Alireza Nazarahari, Tatiana Blank, Christian Hinte, Huseyin Can Ozdemir, Khemais Barienti, Christian Klose, Dermican Canadinc, Hans Jürgen Maier   +7 more
wiley   +1 more source

Competitive Solvation of the Imidazolium Cation by Water and Methanol

, 2014
Imidazolium-based ionic liquids are widely used in conjunction with molecular liquids for various applications. Solvation, miscibility and similar properties are of fundamental importance for successful implementation of theoretical schemes.
Chaban, Vitaly
core   +1 more source

ionic bond

, 2014
Citation: 'ionic bond' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.IT07058 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire   +1 more source