Mechanistic Insights into a Gas-Solid Reaction in Molecular Crystals: The Role of Hydrogen Bonding

2010 ◽  
Vol 49 (47) ◽  
pp. 8892-8896 ◽  
Author(s):  
Guillermo Mínguez Espallargas ◽  
Jacco van de Streek ◽  
Philippe Fernandes ◽  
Alastair J. Florence ◽  
Michela Brunelli ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Crystals ◽  
Solid Reaction ◽  
Gas Solid Reaction

Mechanistic Insights into a Gas-Solid Reaction in Molecular Crystals: The Role of Hydrogen Bonding

2010 ◽  
Vol 122 (47) ◽  
pp. 9076-9080 ◽  
Author(s):  
Guillermo Mínguez Espallargas ◽  
Jacco van de Streek ◽  
Philippe Fernandes ◽  
Alastair J. Florence ◽  
Michela Brunelli ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Crystals ◽  
Solid Reaction ◽  
Gas Solid Reaction

Adiabatic large polarons in anisotropic molecular crystals

2011 ◽  
Vol 35 (1) ◽  
pp. 15-27
Author(s):  
Zoran Ivić ◽  
Željko Pržulj
Keyword(s):  
Energy Transfer ◽  
Effective Mass ◽  
Molecular Crystals ◽  
Single Chain ◽  
Proper Understanding ◽  
One Dimensional ◽  
Interchain Coupling ◽  
Large Polaron ◽  
The One

Adiabatic large polarons in anisotropic molecular crystals We study the large polaron whose motion is confined to a single chain in a system composed of the collection of parallel molecular chains embedded in threedimensional lattice. It is found that the interchain coupling has a significant impact on the large polaron characteristics. In particular, its radius is quite larger while its effective mass is considerably lighter than that estimated within the one-dimensional models. We believe that our findings should be taken into account for the proper understanding of the possible role of large polarons in the charge and energy transfer in quasi-one-dimensional substances.

scholarly journals Role of Conical Intersections on the Efficiency of Fluorescent Organic Molecular Crystals

2021 ◽  
Vol 125 (4) ◽  
pp. 1012-1024
Author(s):  
Miguel Rivera ◽  
Ljiljana Stojanović ◽  
Rachel Crespo-Otero
Keyword(s):  
Molecular Crystals ◽  
Conical Intersections ◽  
Organic Molecular Crystals

scholarly journals Deciphering the Role of π-Interactions in Polyelectrolyte Complexes Using Rationally Designed Peptides

Polymers ◽  
2021 ◽  
Vol 13 (13) ◽  
pp. 2074
Author(s):  
Sara Tabandeh ◽  
Cristina Elisabeth Lemus ◽  
Lorraine Leon
Keyword(s):  
Hydrogen Bonding ◽  
Phase Separation ◽  
Liquid Phase ◽  
Charge Density ◽  
Secondary Structures ◽  
Liquid Phase Separation ◽  
Polyelectrolyte Complexes ◽  
Π Interactions ◽  
Liquid Liquid Phase Separation

Electrostatic interactions, and specifically π-interactions play a significant role in the liquid-liquid phase separation of proteins and formation of membraneless organelles/or biological condensates. Sequence patterning of peptides allows creating protein-like structures and controlling the chemistry and interactions of the mimetic molecules. A library of oppositely charged polypeptides was designed and synthesized to investigate the role of π-interactions on phase separation and secondary structures of polyelectrolyte complexes. Phenylalanine was chosen as the π-containing residue and was used together with lysine or glutamic acid in the design of positively or negatively charged sequences. The effect of charge density and also the substitution of fluorine on the phenylalanine ring, known to disrupt π-interactions, were investigated. Characterization analysis using MALDI-TOF mass spectroscopy, H NMR, and circular dichroism (CD) confirmed the molecular structure and chiral pattern of peptide sequences. Despite an alternating sequence of chirality previously shown to promote liquid-liquid phase separation, complexes appeared as solid precipitates, suggesting strong interactions between the sequence pairs. The secondary structures of sequence pairs showed the formation of hydrogen-bonded structures with a β-sheet signal in FTIR spectroscopy. The presence of fluorine decreased hydrogen bonding due to its inhibitory effect on π-interactions. π-interactions resulted in enhanced stability of complexes against salt, and higher critical salt concentrations for complexes with more π-containing amino acids. Furthermore, UV-vis spectroscopy showed that sequences containing π-interactions and increased charge density encapsulated a small charged molecule with π-bonds with high efficiency. These findings highlight the interplay between ionic, hydrophobic, hydrogen bonding, and π-interactions in polyelectrolyte complex formation and enhance our understanding of phase separation phenomena in protein-like structures.

Effect of synthesis parameters on the crystallite size of WC-Ni composite powders obtained by gas-solid reaction

2021 ◽  
Author(s):  
Maria J.S. Lima ◽  
Fernando E.S. Silva ◽  
Maria V.M. Souto ◽  
Roberta A.C. Menezes ◽  
Marcello Filgueira ◽  
...  
Keyword(s):  
Crystallite Size ◽  
Solid Reaction ◽  
Composite Powders ◽  
Synthesis Parameters ◽  
Gas Solid Reaction
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