Biomaterial Database

Model for stretching elastic biopolymers which exhibit conformational transformations. 2007

R G Haverkamp, and A T Marshall, and M A K Williams

Institute of Technology and Engineering, Massey University, Palmerston North 5331, New Zealand. r.haverkamp@massey.ac.nz

We derive an expression that represents the physical behavior of a polysaccharide molecule as it is stretched from the entropic region, through one or more ring conformational transformations, into the Hookean regime. The model adapts existing models in order to accommodate one or more force-induced conformational transformations of the glycan rings and is based on the concept of equilibrium between the clicked (longer conformers) and unclicked states. This equilibrium is determined by the Gibbs energy difference between these two states which is perturbed in favor of the clicked states by the force applied to the molecule. The derived expression is used to generate force-extension curves for model polymers and can illustrate the effect of the Gibbs energy for each transformation on the shape of these curves. It is also used to fit the force-extension curves of polysaccharides to obtain the Gibbs energy differences between the conformers. Good agreement was found between this model and experimental data on carboxymethylamylose, dextran, alginate, and pectin.

UI	MeSH Term	Description	Entries
D008846	Micromanipulation	The performance of dissections, injections, surgery, etc., by the use of micromanipulators (attachments to a microscope) that manipulate tiny instruments.	Micromanipulations
D008956	Models, Chemical	Theoretical representations that simulate the behavior or activity of chemical processes or phenomena; includes the use of mathematical equations, computers, and other electronic equipment.	Chemical Models,Chemical Model,Model, Chemical
D008958	Models, Molecular	Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures.	Molecular Models,Model, Molecular,Molecular Model
D008968	Molecular Conformation	The characteristic three-dimensional shape of a molecule.	Molecular Configuration,3D Molecular Structure,Configuration, Molecular,Molecular Structure, Three Dimensional,Three Dimensional Molecular Structure,3D Molecular Structures,Configurations, Molecular,Conformation, Molecular,Conformations, Molecular,Molecular Configurations,Molecular Conformations,Molecular Structure, 3D,Molecular Structures, 3D,Structure, 3D Molecular,Structures, 3D Molecular
D011134	Polysaccharides	Long chain polymeric CARBOHYDRATES composed of MONOSACCHARIDES linked by glycosidic bonds.	Glycan,Glycans,Polysaccharide
D003198	Computer Simulation	Computer-based representation of physical systems and phenomena such as chemical processes.	Computational Modeling,Computational Modelling,Computer Models,In silico Modeling,In silico Models,In silico Simulation,Models, Computer,Computerized Models,Computer Model,Computer Simulations,Computerized Model,In silico Model,Model, Computer,Model, Computerized,Model, In silico,Modeling, Computational,Modeling, In silico,Modelling, Computational,Simulation, Computer,Simulation, In silico,Simulations, Computer
D004548	Elasticity	Resistance and recovery from distortion of shape.
D001704	Biopolymers	Polymers synthesized by living organisms. They play a role in the formation of macromolecular structures and are synthesized via the covalent linkage of biological molecules, especially AMINO ACIDS; NUCLEOTIDES; and CARBOHYDRATES.	Bioplastics,Bioplastic,Biopolymer
D013314	Stress, Mechanical	A purely physical condition which exists within any material because of strain or deformation by external forces or by non-uniform thermal expansion; expressed quantitatively in units of force per unit area.	Mechanical Stress,Mechanical Stresses,Stresses, Mechanical