Versiunea Romana

Development Of The Conceptual Model Of A Lab-On-A-Chip For Continuous Particles Separation Through Magnetophoresis And Dielectrophoresis

Project objectives

Scope of the project: The proposed research have a fundamental research purpose dedicated to investigating the most advanced aspects regarding: the interactions in supramolecular biological systems; revealing new interactions; solving the mechanisms which trigger the behavior of the biophysical systems; thorough study of the structures and hemodynamic processes, at the cellular and molecular level; development of new concepts about electrophoresis, dielectrophoresis and magnetophoresis phenomena and their applications with a powerful innovative character for the realization of a LOAC for sorting, manipulating and counting biocells.

Objective 1. Identification of efficient computational models for the electronic states in bimolecular and molecular structures. (1) The development of bioparticles specific study methods. (2) Comparative study of the methods based on the theory of transfer matrixes and the ab-initio theory. (3) Study of the intrinsic electric and magnetic properties of blood particles in order to point out their interactions with variable electric and/or magnetic fields. (4) Investigation of the mechanisms involved in magnetophoresis, electrophoresis and dielectrophoresis. (5) Anatomo – imagistic comparative study of the cells, globules and platelets. (6) Study of the real hemodynamic phenomena. (7) Study of the biomolecules dynamic.

Objective 2. Study of the molecular dynamics regarding the electrophoretic, dielectrophoretic and magnetophoretic migration regimes of biomolecules. (1) Modeling of the double electric layer response or of the magnetic susceptibility when the intensity and frequency of the field is changed. Interface polarizations are even more responsive to the change of the fields direction and for sub-cellular particles it can take place in nanoseconds. (2) Modeling of the cellular polarization depending on the morphology or architecture of the cells. (3) Modeling of the microelectrodes in order to maximize the forces applied to the particle, the geometry of the electrodes being very important. (4) Modeling of some magnetic field sources with controlled gradients and modeling of the dynamics of the magnetic marked molecules in order to identify bioparticles of medical interest. (5) Modeling of some magnetic nanotransporters for biocells. Adsorption or desorption control for some molecules: based on the possibility to adjust the physico-chemical properties and the adsorbtion-desorption properties of proteins on the surface of magnetic particles by pH, temperature and salinity of the environment.

Objective 3. Thermo-electrical modeling and complex structural analysis studies. (1) The study of the dielectric or magnetic response will be based on specialized software like DL_POLY and/or CHARMM/Amber dedicated to molecular dynamics simulations. (2) Modeling, computation and design of the micro-nanoelectrodes. The dimensions of the microelectrodes and the relative low conductivity needed for sorting have the extra advantage of decreasing the heat obtained by Joule effect due to electrolysis. (3) Modeling, computation and design of the microelectromagnets which will allow the manipulation and sorting of magnetic particles using the magnetic field technique on the hybrid model. (4) Comparative structural analysis studies of biomolecules by ATR-FTIR, AFM, SEM and X-ray diffraction techniques. (5) Studies regarding superficial modification and theoretical modeling of the interface based on AFM measurements, which can supply information on the atomic and molecular interactions and also o adhesion and elastic forces. (6) Study regarding the influence of frontier conditions in computational models.

Objective 4. Formulation of a self-consistent theory for describing nano-biosystems interacting with an electromagnetic field. (1) Elaboration of some numerical algorithms for the computational implementation of the equations in terms of transfer matrixes. (2) Development of some efficient pseudopotential methods for the modeling of dielectrophoretic devices. (3) Elaboration of numerical algorithms for the computerized implementation if the equations in the pseudopotential terms. (4) Elaboration of some numerical algorithms which describe the real hemodynamics in blood vessels, techniques for numerical simulation of real hemodynamic phenomena. (5) From the molecular dynamic simulations, the dielectric or magnetic susceptibility constants will be deducted for each cell depending on the frequency of the applied field. The method is based on the theory of the linear response of the system. The proportionality constant is the so-called complex generalized susceptibility. (6) Micromagnetic simulations will be done (SimulMag, OOMMF) in order to observe the behavior of the magnetic nanotransporters using software like FemmLab, etc.

Objective 5. The development of the advanced lab-on-a-chip concept for electrophoretic, dielectrophoretic and magnetophoretic separation of bioparticles. (1) Theoretical fundaments of some dielectrophoretic separation devices. (2) Theoretical fundaments of some magnetophoretic separation devices. (3) Elaboration of numerical models and their implementation in a theoretical model simulator (4) Optimization of the numerical algorithms in order to diminish the computational efforts (5) Validation of the theoretical models elaborated by comparison with the simulation data.

Derivate objectives: the development of the knowledge by advanced frontier research, which implies an interdisciplinary approach; the increase of the knowledge database and of the research capability, with favorable implications on Romanians research competitivity on the international level; the encouraging of the training of young researchers in an environment of high scientific quality; the increase of the Romanian research visibility on the international level by increasing the quality ant the capitalisation of the research. Management activities and the dissemination are activities which run during the entire project.