Effects of fluorine substitution on the edge-to-face interaction of the benzene dimer
Article Abstract:
Potential energy curves for the interaction energies of a set of edge-to-face fluorine substituted benzene dimers is studied in an attempt to clarify the counterintuitive role of fluorination on the aromatic interactions found within the N-(4-sulfamylbenzoyl)benzylamine-Human Carbonic Anhydrase II (SBB-HCAII) complex. However, findings do not explain the crystallographic findings for the SBB-HCAII protein-ligand complex, where increased fluorination resulted in closer edge-to-face contacts, suggesting that there are factors, other than edge-to-face aromatic interactions, influencing the system's behavior.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Evidences of nonideal mixing in poly(ethylene glycol)/organic solvent mixtures by Brillouin scattering
Article Abstract:
An investigation is presented of the concentration dependence of the hypersonic properties of solutions of poly(ethylene glycol) of mean molecular mass in benzene and toulene by Brillouin scattering. A high-frequency relaxation process is observed in both the solvents that are assigned to conformational rearrangements of the polymeric chains, trigerred by reorientation of the side group.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Role of solvation in the energy stabilization inside the hydrophobic core of the protein rubredoxin
Article Abstract:
The effects of solvation on the stability of the hydrophobic core of the protein rubredoxin are evaluated. The results have indicated that short-range interactions between amino acid side chains are among the forces that contribute to the stability of rubredoxin and the solvation plays a pronounced role in the overall stability of the protein's hydrophobic core.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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