geomcell design of cell geometry július parulek 1,2, miloš Šrámek 2,3 and ivan zahradník 1 (1)...

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GeomCell Design of Cell Geometry Július Parulek 1,2 , Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy of Sciences, Slovakia (2) Faculty of Mathematics, Physics and Informatics, Comenius University, Bratislava, Slovakia (3) Austrian Academy of Sciences, Austria

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Page 1: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

GeomCellDesign of Cell Geometry

Július Parulek1,2, Miloš Šrámek2,3 and Ivan Zahradník1

(1) Institute of Molecular Physiology and Genetics, Slovak Academy of Sciences, Slovakia(2) Faculty of Mathematics, Physics and Informatics, Comenius University, Bratislava, Slovakia(3) Austrian Academy of Sciences, Austria

Page 2: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Overview

Introduction to GeomCell Previous work on geometrical

modeling of muscle cells Representation of mitochondrial

shape GeomCell Implementation Conclusions and future work

Page 3: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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GeomCell - Intro An environment for virtual cell modeling

based on a precise geometric background possibilities of modern computer graphics

and computer hardware to represent a virtual micro-world of cells

first building blocks for representation of a static cell geometry

models of skeletal muscle tissues idealized models rather than exact

reconstruction

Page 4: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Muscle Cell Organelles

(Courtesy of Dr. Novotová)

Page 5: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Muscle Cell Organelles

Laon

git

ud

inal axis

Transversal axis

(Courtesy of Dr. Novotová)

Page 6: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Input Data - EM images

(Courtesy of Dr. Novotová)

Volume and surface density (stereology)

Volume and surface density (stereology)

Sizes(morphometry)

Sizes(morphometry)

Shape(morphology)

Shape(morphology)

Page 7: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Cell Model Organelles

Desired subset of cell organelles:1) Myofibrils2) Sarcolemma3) Sarcoplasmic reticulum4) Mitochondria5) T-tubules

1

3

2

45

Page 8: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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XISL Implicit Objects

XISL – Implicit modeling environment XML based modeling language C++ library, tools (conversion,

rendering, ...)

f(x) > 0

f(x) < 0

f(x) = 0

Page 9: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Cross-sectional Graphs Produce carrier

skeletons for all virtual organelles

Directly used in modeling of myofibrils Thin and long cylindrical

objects cross-sectional graphs

(c-graph) in a system of parallel planes

Page 10: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Cross-sectional Graphs (cont.)

Real EM images c-graph2D implicit shapes

Quadratic interpolation of the 2D shapes

Minimal distance specification

Minimal distance specification

Page 11: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Extended Interpolation Spatial warp metamorphosis utilized in

sarcoplasmic reticulum (SR) modeling two compartments: terminal cisterns of the

SR (A) and Longitudinal SR (B) skeleton: a set of seed (C) points distributed

in a system of cross-sectional planes

A

B C

Page 12: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Mitochondrial Shape

Elliptically shaped and prolonged organelles of irregular smooth forms and variable sizes implicit sweep objects

Page 13: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Components of Sweep Objects

A 2D sweep primitive (template) and a 3D sweep trajectory

2D template2D template 3D trajectory3D trajectory

Sweep objectSweep object

Page 14: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Template defined as 2D implicit ellipsoid with variable dimensions

Trajectory as quadratic B-spline

Sweep Components for Mitchondria

Page 15: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Method Overview

Transformation (MS) maps the 2D template along the curve using so-called reference frames (RF)

Rotation of RF around C’(t)

fe

Page 16: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Method Overview (cont.)

Estimate all curve points NP(x) (parameters si), for which x lies in the template planes

Resultant function

Page 17: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Problem of Parameter Estimation

Analytical solution (a, param t) of a general curve trajectory is rarely possible

for instance: cubic spline (C(t) is degree 3) - the polynomial (a) is degree 5

Solution in using quadratic curves analytical solution

(a)(a)

Page 18: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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End Caps

Union with two implicit semi-ellipsoids at both ends

Page 19: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Model Generation

Fully automatic, guided by Model Description Language (MDL) basic cell dimensions c-graph distribution organelle’s geometric parameters

specified in a probabilistic sense Quantification, visualization, …

Page 20: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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GeomCell Implementation Computationally intensive tasks

generation of large number of models evaluation of volume and surface areas of

organelles model visualization

High throughput computing required Utilization of a grid environment

retrieval of cell models using metadata (morphological and stereological data, images, MDL spec.,…)

eased with a GUI portal

Page 21: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Page 22: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Page 23: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Conclusions and Future Work System for cell model generation,

quantification, visualization and conversion implemented in Grid environment - GeomCell

Organelle’s behavior add physical layer to all objects growth, deformations, cell

contraction, … Pathological cells

Page 24: GeomCell Design of Cell Geometry Július Parulek 1,2, Miloš Šrámek 2,3 and Ivan Zahradník 1 (1) Institute of Molecular Physiology and Genetics, Slovak Academy

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Thank You for Your Attention

Homepage: www.sccg.sk/~parulekCell modeling project: www.sccg.sk/~parulek/cellGrid implementation:http://cvs.ui.sav.sk/twiki/bin/view/EGEE//GeomCellInEGEE-MuscleCellModelingOnTheGrid

Visualization of a volumetric format of a cell model