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Diffusion coefficients of segmentally flexible macromolecules with two subunits: A study of broken rods
Author(s) -
Mellado P.,
Iniesta A.,
Diaz F. G.,
De La Torre J. García
Publication year - 1988
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.360271107
Subject(s) - rod , macromolecule , rotational diffusion , chemistry , diffusion , relaxation (psychology) , rotation (mathematics) , flexibility (engineering) , dynamics (music) , rotational dynamics , bending , translation (biology) , classical mechanics , mechanics , chemical physics , physics , thermodynamics , molecule , geometry , psychology , social psychology , mathematics , organic chemistry , statistics , messenger rna , gene , acoustics , medicine , biochemistry , alternative medicine , pathology
A general treatment for the solution dynamics of segmentally flexible macromolecules having two subunits is presented. Bead modeling allows for a complete inclusion of hydrodynamic interactions in this treatment. The finite size of the beads is also considered, so that it is therefore possible to account properly for torsional motions of the subunits. Expressions for the components of the resistance matrix are derived. From them, the translational and rotational diffusion coefficients can be calculated. Distinction is made between hinged macromolecules, whose only internal motion is bending, and swivel‐jointed macromolecules, for which torsions of the subunits are also allowed. Numerical results are presented for broken rods with the two types of flexibility. The effects of hydrodynamic interaction between arms of broken rods are about 25% for translation and under 10% for rotation. These findings give support to the treatments of Harvey, Wegener, and co‐workers in which interactions were neglected. The rotational dynamics of hinged and swivel‐jointed rods are compared. Although there are differences in the short‐time behavior, the longest relaxation time is the same for the two cases. Finally, the validity of Wegener's rotational diffusion constants is discussed.