Results 51 to 60 of about 55,853 (258)

A healable supramolecular polymer blend based on aromatic π-π stacking and hydrogen bonding interactions [PDF]

, 2010
An elastomeric, supramolecular healable polymer blend, comprising a chain-folding polyimide and a telechelic polyurethane with pyrenyl endgroups, is compatibilised by aromatic π−π stacking between the π-electron-deficient diimide groups and the π ...
Howard M Colquhoun (16261292), Wayne Hayes (378011), Stefano Burattini, Wengui Weng (1737061), Hayes, Wayne, Rowan, Stuart J., Greenland, Barnaby W., Colquhoun, Howard M., Hamley, Ian W., Stefano Burattini (1995037), Ian W. Hamley, Stuart J Rowan (16263863), Ian W Hamley (16261298), Howard M. Colquhoun, Stuart J. Rowan, Jonathan Seppala (2271802), Jonathan Seppala, Daniel Hermida Merino (10112570), Barnaby Greenland (4468213), Barnaby W. Greenland, Daniel Hermida Merino, Wengui Weng, Michael E. Mackay, Seppala, Jonathan, Wayne Hayes, Michael E Mackay (16263710), Weng, Wengui, Mackay, Michael E., Burattini, Stefano, Merino, Daniel H.   +29 more
core   +1 more source

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

FEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young, Omar Arias‐Gaguancela, Fiona Gibson, Morgan Grainger, Jodie Score, Amit Nathubhai, Mauricio Cafiero, Lee Richard Machado   +7 more
wiley   +1 more source

A Quantum Chemical Deep-Dive into the π-π Interactions of 3-Methylindole and Its Halogenated Derivatives—Towards an Improved Ligand Design and Tryptophan Stacking

Pharmaceuticals, 2022
Non-covalent π-π stacking interactions often play a key role in the stability of the secondary and tertiary structures of peptides and proteins, respectively, and can be a means of ensuring the binding of ligands within protein and enzyme binding sites ...
Ruben Van Lommel, Tom Bettens, Thomas M. A. Barlow, Jolien Bertouille, Steven Ballet, Frank De Proft   +5 more
doaj   +1 more source

Analysing π-π stacking interactions in lignin nanoparticles from molecular simulations – insights and lessons learned [PDF]

A special molecular association is π–π-stacking, driven by weak interactions within aromatic compounds. The π–π-stacking interactions can occur in either a sandwich-like or T-shaped manner. In this study, a method to recognise π–π-stacking from classical
Florisson, Sara, Hackenstrass, Klara, Wohlert, Malin, Tabudlong Jonasson, Nil, Rosén, Tomas, Hartwig-Nair, Marie   +5 more
core   +1 more source

A Healable Supramolecular Polymer Blend Based on Aromatic π−π Stacking and Hydrogen-Bonding Interactions [PDF]

, 2016
An elastomeric, healable, supramolecular polymer blend comprising a chain-folding polyimide and a telechelic polyurethane with pyrenyl end groups is compatibilized by aromatic π−π stacking between the π-electron-deficient diimide groups and the π ...
Michael E. Mackay (1365174), Wayne Hayes (378011), Stuart J. Rowan (1535368), Wengui Weng (1737061), Howard M. Colquhoun (1300293), Jonathan Seppala (2271802), Ian W. Hamley (401845), Barnaby W. Greenland (1300287), Daniel Hermida Merino (1681375), Stefano Burattini (1995037)   +9 more
core   +1 more source

A Q‐Learning Algorithm to Solve the Two‐Player Zero‐Sum Game Problem for Nonlinear Systems

International Journal of Adaptive Control and Signal Processing, Volume 39, Issue 3, Page 566-581, March 2025.
A Q‐learning algorithm to solve the two‐player zero‐sum game problem for nonlinear systems. ABSTRACT This paper deals with the two‐player zero‐sum game problem, which is a bounded L2$$ {L}_2 $$‐gain robust control problem. Finding an analytical solution to the complex Hamilton‐Jacobi‐Issacs (HJI) equation is a challenging task.
Afreen Islam, Anthony Siming Chen, Guido Herrmann   +2 more
wiley   +1 more source

(3Z)-3-Benzylidene-1H-benzimidazo[1,2-a]imidazol-2(3H)-one

IUCrData, 2016
In the title compound, C16H11N3O, the molecular conformation is partially determined by an intramolecular C—H...π(ring) interaction. In the crystal, pairwise N—H...N hydrogen bonds form dimers, which associate into stacks through a combination of C—H...O,
Mohammed Rida, Youness El Bakri, El Mokhtar Essassi, Joel T. Mague   +3 more
doaj   +1 more source

Karl Popper and the Mechanisms of Hydrogen Embrittlement

Advanced Engineering Materials, EarlyView.
Representation of the beginning of loss of ductility rather than embrittlement. Small concentrations of hydrogen in a diffusible form within iron are well‐established to harm the mechanical integrity of steels. There are theories that attempt to explain the pernicious role of hydrogen.
H. K. D. H. Bhadeshia
wiley   +1 more source

1-Benzyl-3-methylquinoxalin-2(1H)-one

IUCrData, 2018
The asymmetric unit of the title compound, C16H14N2O, contains three independent molecules differing primarily in the orientations of the benzyl groups. Each independent molecule forms inversion related dimers via offset π-stacking interactions.
Youssef Ramli, Youness El Bakri, L'houssaine El Ghayati, El Mokhtar Essassi, Joel T. Mague   +4 more
doaj   +1 more source

A Supramolecular Polymer Based on Tweezer-Type π−π Stacking Interactions: Molecular Design for Healability and Enhanced Toughness [PDF]

, 2016
A Supramolecular Polymer Based on Tweezer-Type π−π Stacking Interactions: Molecular Design for Healability and Enhanced ...
Michael E. Mackay (1365174), Wayne Hayes (378011), Stuart J. Rowan (1535368), Howard M. Colquhoun (1300293), Barnaby W. Greenland (1300287), Stefano Burattini (1995037)   +5 more
core   +1 more source