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Chemicals, plastics and rubber industries

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Coil to extended coil transition in polygalacturonic acid: Conductometric titration and Monte Carlo simulations

Article Abstract:

Studies done on the conformational transition from coil to extended coil for polygalacturonic acid by conductometric titrations and Monte Carlo simulations is presented. Results of the studies reveal that the electrostatic interactions are the major contribution for the coil to extended coil conformational change and the small deviations for alpha lesser than or equal to 0.5 indicate that the stiffness of the chain, associated with local interactions, becomes increasingly vital.

Author: Fossey, Marcelo Andres, Santos, Cecilia Cristina Marques dos, Chahine, Jorge, Neto, Joao Ruggiero
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
Usage, Monte Carlo method, Monte Carlo methods, Conductometric analysis

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pK determination. A mean field, Poisson-Boltzmann approach

Article Abstract:

A method for determining the pK value of an acid molecule is presented. The proposed method does not require the addition of a titrating substance. The pK value can be obtained accurately from simple dilution experiments using a limited range of pH values. Results from the application of the method on dilution experiment involving galacturonic acid imply that the Poisson-Boltzmann equation or its linear form is equally viable for describing the system.

Author: Fossey, Marcelo Andres, Neto, Joao Ruggiero, Neto, Augusto Agostinho, Filho, Elso Drigo
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
Acids, Hydrogen-ion concentration, Dissociation, Dissociation reactions

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Mean first-passage time calculations for the coil-to-helix transition: the active helix Ising model

Article Abstract:

The active helix (AH) model that provides a detailed description of the dynamic and equilibrium aspects of the helix-coil transition is presented. The AH model permits the evaluation of kinetic aspects of the coil-to-helix transition such as the mean transition time for the formation of any fraction of helix from any initial fraction of coil.

Author: Truskett, Thomas M., Silbey, Robert J., Buchete, Nicolae-Viorel, Straub, John E.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
Industrial Gas Manufacturing, Industrial gases, Helium, Chemical reaction, Rate of, Chemical kinetics, Chemical properties

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Subjects list: Research, Coil coating
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