Solvent effects on ultraviolet absorption and circular dichroic spectra of helical polypeptides and globular proteins. Calculation based on a lattice-filled cavity model
Article Abstract:
A lattice-filled cavity model is used in studying the effects of solvent on the electronic absorption and circular dichroic spectra of helical polypeptides and globular proteins. The solute molecule is assumed to be in a spherical cavity with a continuous dielectric medium. It is assumed that the molecule is made up of polarizable point particles which interact with each other through their induced dipole moments in the presence of an external field. Results indicated that solvents have small but measurable effects on the intensities of the CD bands of the polypeptides and proteins.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
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Designer variable repeat length polypeptides as scaffolds for surface immobilization of quantum dots
Article Abstract:
A series of engineered, variable-length de novo polypeptides is used to discreetly immobilize luminescent semiconductor nanocrystals or quantum dots (QDs) onto functional surfaces. The versatility of this immobilization strategy is highlighted by the creation of a variety of one- and two-dimensional polypeptide-QD structures as well as a self-assembled surface-immobilized fluorescence resonance energy transfer (FRET)-based utrient sensor.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Calculation of the dipole moment for polypeptides using the generalized born-electronegativity equalization method: results in vacuum and continuum-dielectric solvent
Article Abstract:
A reliable dipole moment for polypeptides in vacuum and continuum-dielectric solvent is obtained using the constrained charge approximation and the generalized Born-electronegativity equalization method. Different electronegativity equalization method (EEM) parameterizations were tested and compared to the expected values of the dipole moment vector operator as calculated at the ab initio B3LYP/6-311G(d, p) level.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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