A statistical model of macromolecules dynamics for Fluorescence Correlation Spectroscopy data analysis
Abstract
In this paper, we propose a new mathematical model to describe the mechanisms of biological macromolecules interactions. Our model consists of a discrete stationary random sequence given by a solution of difference stochastic equation, characterized by a drift predictive component and by a diffusion term. The relative statistical estimations are very simple and effective, promising to be a good tool for the mathematical description of collective biological reactions. This paper presents the mathematical model and its verification on a simulated data set, obtained on the basis of the well-known Stokes-Einsteinmodel. In particular, we considered several mix of particles of different diffusion coefficient, respectively: D1=10 mm2/sec and D2=100 mm2/sec. The parameters evaluated by this new mathematical model on simulated data show good estimation accuracy, in comparison with the prior parameters used in the simulations. Furthermore, when analyzing the data for the mix of particles with different diffusion coefficient, the proposed model parameters (regression) and (square variance of the stochastic component) have a good discriminative ability for the molar fraction determination. In this paper, we propose a new mathematical model to describe the mechanisms of biological macromolecules interactions. Our model consists of a discrete stationary random sequence given by a solution of difference stochastic equation, characterized by a drift predictive component and by a diffusion term. The relative statistical estimations are very simple and effective, promising to be a good tool for mathematical description of collective biological reactions. This paper presents the mathematical model and its verification on simulated data set, obtained on the basis of the well-known Stokes-Einsteinmodel. In particular we considered several mix of particles of different diffusion coefficient, respectively: D1=10 mm2/sec and D2=100 mm2/sec. The parameters evaluated by this new mathematical model on simulated data, show good estimation accuracy, in comparison with the a-priori parameters used in the simulations. Furthermore, when analyzing the data for mix of particles with different diffusion coefficient, the proposed model parameters (regression) and (square variance of stochastic component) have a good discriminative ability for the molar fraction determination.References
M. Eigen, and R. Rigler, Sorting single molecules: application to diagnostics and evolutionary biotechnology, Proceedings of the National Academy of Sciences, vol. 91, pp. 5740–5747, 1994.
L. Fay, and A. Balogh, Determination of reaction order and rate constants on the basis of the parameter estimation of differential equations, Acta Chimica Academiae Scientarium Hungarica, Budapest, vol. 57, 1968.
H. P. Fischer, Mathematical Modeling of Complex Biological Systems, Alcohol Research & Health, vol. 31, pp. 49–59, 2008.
Z. Guo, B. Li, L. T. Cheng, S. Zhou, J. A. McCammon, and J. Che, Identification of Protein-Ligand Binding Sites by the Level-Set Variational Implicit-Solvent Approach, Journal of Chemical Theory and Computation, vol. 11, pp. 753–765, 2015.
D. J. Higham, An algorithmic introduction to numerical simulation of stochastic differential equations, Society for Industrial and Applied Mathematics Review, vol. 43, pp. 525–546, 2001.
L. H. Hosten, A comparative study of short cut procedures for parameter estimation in differential equations, Computers and Chemical Engineering, vol. 3, 1979.
S. Ilie, S. Gholami Simplifying Stochastic Mathematical Models of Biochemical Systems, Applied mathematics, vol. 4, pp. 248–256,2013.
J. Jacod, A. N. Shiryaev Limit Theorems for Stochastic Processes, Springer Berlin - Heidelberg - New York, 2003.
U. Kettling, A. Koltermann, P. Schwille, R. Eigen Real-time enzyme kinetics monitored by dual-color fluorescence cross-correlation spectroscopy, Proceedings of the National Academy of Sciences vol. 95, pp. 1416–1420, 1998.
M. Kinjo, R. Rigler Ultrasensitive hybridization analysis using fluorescence correlation spectroscopy, Nucleic Acids Research vol. 23, pp. 1795–1799, 1995.
D. Koroliouk, V. S. Koroliuk, N. Rosato Equilibrium Process in Biomedical Data Analysis: the Wright-Fisher Model, Cybernetics and System Analysis, Springer NY, vol. 50, no. 6, pp. 890–897, 2014. DOI: 10.1007/s10559-014-9680-y.
D. Koroliouk Stationary statistical experiments and the optimal estimator for a predictable component. Journal of Mathematical Sciences, Springer NY, vol. 214, no. 2, , pp. 220–228, 2016. DOI: 10.1007/s10958-016-2770-9.
A. V. Karnaukhov, E. V. Karnaukhova, J. R. Williamson Numerical Matrices Method for Nonlinear System Identification and Description of Dynamics of Biochemical Reaction Networks, Biophysical Journal, vol. 92, pp. 3459–3473, 2007.
S. Rao, A. Van Der Schaft, K. Van Eunen, B. M. Bakker, B. Jayawardhana A model reduction method for biochemical reaction networks, BMC Systems Biology, vol. 8, no. 52, 2014.
B. Rauer, E. Neumann, J. Widengren, R. Rogler Fluorescence correlation spectrometry of the interaction kinetics of tetramethylrhodamin alpha-bungarotoxin with Torpedo californica acetylcholine receptor, Biophysical Chemistry, vol. 58, pp. 3–12, 1996.
S. Schuster, C. Hilgetag, J. H. Woods, D. A. Fell Reaction routes in biochemical reaction systems: algebraic properties, validated calculation procedure and example from nucleotide metabolism, Journal of Mathematical Biology, vol. 45, pp. 153–181, 2002.
P. Schwille, J. Bieschke, F. Oehlenschlager Kinetic investigations by fuorescence correlation spectroscopy: the analytical and diagnostic potential of diffusion studies, Biophysical Chemistry, vol. 66, pp. 211–228, 1997.
A. V. Skorokhod, F. C. Hoppensteadt, H. Salehi Random Perturbation Methods with Applications in Science and Engineering, Springer AMS, New York, vol. 150, 2002.
P. Schwille, F. J. Meyer-Almes, R. Rigler Dual-color fluorescence cross-correlation spectroscopy for multicomponent diffusional analysis in solution, Biophysical Journal, vol. 72, no. 4, pp. 1878–1886, 1997.
S. Vajda, P. Valko, A. Yermakova A direct-indirect procedure for estimating kinetic parameters, Computers and Chemical Engineering, vol. 10, pp. 49–58, 1986.
W. Vance, A. Arkin, J. Ross Determination of causal connectivities of species in reaction networks, Proceedings of the National Academy of Sciences of the United States of America, vol. 99, pp. 5816-5821, 2001.
- Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.
- Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.
- Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) prior to and during the submission process, as it can lead to productive exchanges, as well as earlier and greater citation of published work (See The Effect of Open Access).