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Table 1 Summary of model simulation parameters

From: Emergence of spatio-temporal variations in chemotherapeutic drug efficacy: in-vitro and in-Silico 3D tumour spheroid studies

Parameter

Notation

Value

Units

Concentration of glutamine (maximum)

2.0

mM

Diffusivity of glutamine

7.6 × 10− 10

m2 s− 1

Initial mass of cell

푐,푖푛푖

3.3 × 10− 12

kg

Metabolic maintenance coefficient

2.0 × 10− 8

s− 1

Max Specific growth rate

푐푔

8.75 × 10− 6

s− 1

Half saturation coefficient

0.1

mol m− 3

Yield coefficient

100

 

Critical apoptotic stress value

푎푝표푝푡표푠푖푠

8–14

h

Threshold concentration of glutamine

푔푚푖푛

0.6

mM

Cell clearing time

4

h

Maximum concentration of cisplatin

푐푖푠

10.0

μM

Diffusivity of cisplatin

푐푖푠

8.2 × 10−10

m2 s−1

Diffusivity of cisplatin (Intra-spheroidal)

푐푖푠

1.78 × 10− 11

m2 s− 1

Cisplatin degradation rate constant

푑푒푔

1 × 10− 4

s− 1

Cisplatin bonding rate constant

푏표푛푑푖푛푔

3 × 10− 3

s− 1

Maximum generational age

8

days

Maximum age-independent adduct concentration

푐푖푠푚푎푥

2.8 × 10− 3

μM

Passive diffusion rate constant of cisplatin

푖푛푡푟푎

20.96

h−1

Concentration of Taxol (maximum)

푡푎푥

200.0

nM

Diffusivity of Taxol (Intra-spheroidal)

푡푎푥

9.25 × 10−12

m2 s− 1

Diffusivity of Taxol

푡푎푥

4.26 × 10–10

m2 s− 1

Taxol drug clearance

1.91 × 10− 1

s− 1

Lethal Taxol concentration

푙푒푡푎푙

1.5 × 10− 3

nM

Drug binding rate constant of Taxol

3.0 × 10− 6

s− 1

Drug binding rate constant of Taxol to unsaturable sites

4.1 × 10− 5

s− 1

Michaelis-Menten constant for extracellular protein binding

3.94 × 10− 3

mol m− 3

Michaelis-Menten constant for cellular component binding

푚푐

5.92 × 10− 2

mol m− 3

Half saturation coefficient for extracellular protein binding

7.81 × 10− 4

mol m− 3

Half saturation coefficient for cellular component binding

푝푐

4.93 × 10− 6

mol m− 3