Projects / Programmes
Generalized conservation law for polymer nematics and ordering states of nematic biopolymers
| Code |
Science |
Field |
Subfield |
| 1.02.07 |
Natural sciences and mathematics |
Physics |
Biophysics |
| Code |
Science |
Field |
| B002 |
Biomedical sciences |
Biophysics |
| Code |
Science |
Field |
| 1.03 |
Natural Sciences |
Physical sciences |
polymer nematics, biopolymers, DNA, vectorial, tensorial, generalized conservation law, continuum description, microscopic simulations, 3D numerics
Researchers (10)
Organisations (2)
Abstract
The aim of the research project is to verify, interpret, ramify, and generalize, theoretically and by microscopic simulations, our recent finding – the tensorial conservation law for nematic polymers, and find new polymer configurations based thereon, in particular those of DNA in spherical or icosahedral enclosures with hard walls mimicking DNA packing inside viral capsids. The tensorial conservation law is a new macroscopic continuity equation stemming from the microscopic connectivity of the polymer chain, coupling the gradients of the polymer nematic order tensor and variations of the polymer density, analogous to the vectorial continuity equation for the so-called polymer current. It represents a fundamental advance in our understanding of polymer ordering in dense phases. The proposed research is vital for the actual breakthrough of the new generalized continuity law for nematic polymers, of which the tensorial and the vectorial conservation law should represent two limits.
Significance for science
Besides the fundamental impact on the continuum description of ordered polymers in general, the new generalized continuity equation is an essential feature also in the description of DNA – or other synthetic molecular polyelectrolyte cargo – inverse spool packing in nanoscale enclosures such as viral proteinaceous capsids, vault particles and polyelectrolyte spheres. In this context the proposed research acquires a more general framework related to the assembly of viruses and their proliferation, as well as packing of molecular cargo for efficient delivery. The consistent inclusion of hairpins/kinks through the new tensorial continuity equation will also enable us to analyze disordered, defect-ridden DNA configurations that have heretofore lacked the proper formal underpinnings.
The research proposed within this project is of vital importance for the actual consistent implementation of the new tensorial continuity equation and represents a fundamental advance in our understanding of polymer ordering in dense phases. This equation represents a stark deviation from the previously considered constraints implied by the polymeric nematogens and will fundamentally change our perspective on the relation between simple and polymeric nematogens, by necessity leading to a reconsideration of some of the existing fundamental results on polymer nematics, where this new constraint has not been adequately taken into account.
Besides the fundamental impact on the continuum description of ordered polymers in general, the new generalized continuity equation will be also applied to specific structures. New configurations of ordered biopolymers will be suggested, in particular of DNA packed into viral proteinaceous capsids (the comparison with the Petrov-Harvey twisted toroidal conformation is of particular interest) and of spontaneous assemblies of twisted architectures in collagen gels. In particular the problem of DNA packaging configuration in bacteriophage capsids is of fundamental relevance for understanding of the process and energetics of ejection. Our coarse-grained continuum equilibrium description supplemented with the macroscopic continuity equation will shed new light on the available configurations and ordering transitions of DNA confined to a bacteriophage capsid and allow us to consistently include the effect of configurational defects such as hairpins/kinks that result from the recently discovered non-linear elasticity of DNA.
Defining new streamlines in its field, the proposed research stands out for conceptual originality, formal elegance and clarity of formulation, pushing further the frontiers of knowledge, implying a high impact, in particular in the field of physical virology, with important practical repercussions related to control and manipulation of the viral DNA ejection process. The strong scientific and social-economic impact of the project leader and the experience and previous publications of the project team in this field are speaking for the feasibility of the proposed research.
Significance for the country
The proposed research is specifically important also in the field of gene therapy as it elucidates the configurations of molecular cargo in proteinaceous shells that can be used for gene delivery and targeting. The project leader already has active and successful collaboration with the Lek-Sandoz pharmaceutical works in Slovenia and the new proposed research will allow his team to get even more connected with the forefronts of Slovene pharmaceutical industry. The possible new directions and technologies that will emerge from the field of physical virology would thus find an immediate counterpart in Slovene basic research and applied science.
Most important scientific results
Interim report,
final report
Most important socioeconomically and culturally relevant results
Interim report,
final report
