1. BIOSYST-MeBioS

2. Model-based approach Purpose Improve understanding Optimization Control Macroscale approach (Ho et al., 2006) Geometry: intact fruit Gas transport coupled with respiration kinetics

3. BIOSYST-MeBioS Gas transport properties of macroscale Assumption Homogeneous material Measurement Biological variability D CO2 > D O2 Anisotropic diffusivity Apparant values D eff

4. BIOSYST-MeBioS Microscopic overview of tissue Parenchyma tissue structure Grouped cells Random distribution of cells and pores Cell wall Plasma membranes Transport phenomena Geometry required Two phases Gas Liquid Cell membrane Passive transport Active transport Intra-cellular enzymatic reactions Plant Cell wall (Albert et al., 1994)

5. BIOSYST-MeBioS Objective To verify the applicability of a microscale modelling approach to the gas transport at tissue level in a multiscale framework To quantify the pathways of gas transport in relation to the microstructure of fruit tissue

6. BIOSYST-MeBioSwww.biw.kuleuven.be Microscale modelling of gas diffusion in fruit tissue Q. Tri Ho, Hibru K. Mebatsion, Fernando Mendoza, Bert E. Verlinden, Pieter Verboven, Stefan Vandewalle and Bart M. Nicolaï IUFoST 13TH WORLD CONGRESS OF FOOD SCIENCE & TECHNOLOGY Food is Life, 17 -21 September 2006 Nantes France

7. BIOSYST-MeBioS Geometry model Light microscopy images ( Mebatsion et al, 2006) Parenchyma tissues of ‘Conference’ pear Resolution 1pixel~0.735µm Digitization of image Geometry model generation ( Mebatsion et al, 2006) Ellipse tessellation algorithm

8. BIOSYST-MeBioS Ellipse tesselation Cell Cell wall Intercellular space TEM image of Conference pear Cells

9. BIOSYST-MeBioS Concept of gas transport Air filled intercellular space O 2,l CO 2,l ADP +P i ATP synthase ATP Work Mitochondrion Cytosol ATP HCO 3 - CO 2,g O 2,g Liquid Pore Gas exchange of fruit At the interface Intra-cell

10. BIOSYST-MeBioS Model of O 2 transport in tissue Assumption Cell wall was assumed gas phase with effective diffusivity D O2,w Passive gas transport through cell membrane Henry’s law at the inter-phase Model equation (Fick’s second law of diffusion) Pore Cell wall Cell

11. BIOSYST-MeBioS O 2 model equation in liquid phase O 2 consumption at intra-cell Michaelis-Menten reaction C O2,l can be rewritten in equilibrium gas phase C O2,g

12. BIOSYST-MeBioS Model of O 2 transport in tissue Model equations Pore Cell wall Cell Flux through cell membrane

13. BIOSYST-MeBioS Physical parameters LiteratureModel Diffusivity: Pore Cell Cell wall D O2,gas =1.6×10 -5 m 2 /s (1) D O2,l =2.01×10 -9 m 2 /s (1) D O2,W = ? D O2,gas =1.6 ×10 -9 m 2 /s D O2,l =2.01 ×10 -9 m 2 /s D O2,W = 5×10 -9 m 2 /s Cell wall thickness0.76 µm MembraneL =6-10 nm (2) D O2,membrane =2.91×10 -9 m 2 /s (3) Permeability h O2 =3.63 ×10 -2 m/s Henry’s constantH O2 =0.01371 (mol/m 3 Pa) (1) H O2 =0.01371 (mol/m 3 Pa) Source : 1 : Lide (1999) 2 : Gunning and Steer (1996) 3 : Uchida et al. (1992)

14. BIOSYST-MeBioS Numerical solution Meshing 125050 elements Solution Finite element method Femlab 3.1 (Comsol AB, Stockholm)

15. BIOSYST-MeBioS Estimation of D tissue, eff Steady state Boundary condition Side 1: C 1 ; Side 2: C 2 C2C2 C1C1 L tissue Isolated boundary

16. BIOSYST-MeBioS Simulation result

17. BIOSYST-MeBioS Sensitivity analysis Relative sensitivity of parameter: ∆P was taken 10% of value P Relative change of D O2, tissue corresponded to a relative change of model parameter ParameterValueJ Do2,P D g (m 2 /s)1.6×10 -5 1.74×10 -4 D l (m 2 /s)2.01×10 -9 3.33×10 -1 D w (m 2 /s)5×10 -9 6.67×10 -1 h_coeff (m/s)3.63×10 -2 1.92×10 -5 H O2 (mol/m 3 kPa )1.37×10 -2 3.33×10 -1 Thickness of cell wall (µm )0.7367.21×10 -1

18. BIOSYST-MeBioS Estimated O 2 diffusivity of pear tissue D O2, tissue (m 2 /s) Micro scale Ellipse Tesselation 3.2×10 -10 Measurement (Macro scale) (2.56  0.48)  10 -10 (Ho et al., 2005) (4.3  1.7)  10 -10 (Schotsmans et al., 2003) D O2,cell wall =5×10 -9 m 2 /s Cell wall thickness= 0.73 µm (TEM, Mebatsion 2006, unpublished data)

19. BIOSYST-MeBioS Upscaling to macroscale 20 kPa O 2, 0 kPa CO 2, 5°C

20. BIOSYST-MeBioS Micro structure and storage disorders Concentration profile along a line through the tissue at y=1×10 -4 m inside cells in pores

21. BIOSYST-MeBioS 3D X-ray microtomography

22. BIOSYST-MeBioS Conclusions A model was presented to study gas transport at the microscale O 2 mainly transports in the gas phase of intercellular space and cell wall networks Macroscopic diffusivity was estimated using microscale simulations Important consequences for respiration– related disorders

23. BIOSYST-MeBioS Thank you