TABLE 2.

Physiological and biochemical parameters used for the nicotine PBPK model.

Parameters	Parameters description	Values		References
		Original	Fitted
BW	Body weight—kg	81.2	—	Scitovation database
QC	Cardiac output—L/h	423.37	—	Scitovation database
QLc	Blood flow to the liver—Fraction of QC	0.235	—	Scitovation database
QURTc	Blood flow to the URT—Fraction of QC	0.00247	—	Campbell et al. (2015)
QTBc	Blood flow to the TB region—Fraction of QC	0.0075	—	Campbell et al. (2015)
QALVc	Blood flow to the pulmonary region—Fraction of QC	0.0067	—	Butler (1992)
VLc	Liver volume—Fraction of BW	0.0197	—	Scitovation database
VArtc	Arterial blood volume—Fraction of BW	0.0142	—	Scitovation database
VVc	Venous blood volume–Fraction of BW	0.0427	—	Scitovation database
SAurt	URT surface area—cm2	154.8	—	MPPD
SAtb	TB surface area—cm2	4440	—	MPPD
SAta	Transitional airway surface area—cm2	6220	—	Sarangapani et al. (2002a)
SApulm	Pulmonary region surface area—cm2	700146.6	—	MPPD
TmucepithURT	Mucus and epithelium thickness in the upper respiratory tract—cm	0.006	—	Sarangapani et al. (2002a)
TmucepithTB	Mucus and epithelium thickness in the tracheo-bronchial region—cm	0.0066	—	Sarangapani et al. (2002a)
TmucepithTA	Mucus and epithelium thickness in the transitional airway—cm	0.001	—	Sarangapani et al. (2002a)
TmucepithPULM	Mucus and epithelium thickness in the pulmonary region—cm	0.0005	—	Sarangapani et al. (2002a)
TURT	Submucosa thickness—cm	0.012	—	Bogdanffy, personal communication
TTB	Submucosa thickness—cm	0.0132	—	Bogdanffy, personal communication
TTA	Submucosa thickness—cm	0.002	—	Bogdanffy, personal communication
TV	Tidal volume—L	1.3	—	Brown et al. (1997)
DS	Dead space in the lung—L	0.15	—	Brown et al. (1997)
BR	Breathing rate—/h	720	—	Brown et al. (1997)
DLc	Nicotine diffusion—cm2/h	4.87E-9	—	QSAR
PL	Liver: blood partition coefficient	7.8	7	Teeguarden et al. (2013)
PURT	URT: blood partition coefficient	2	1.23	Robinson et al. (1992)
PTB	TB: blood partition coefficient	2	0.1	Robinson et al. (1992)
PALV	ALV: blood partition coefficient	2	0.1	Robinson et al. (1992)
PRB	Rest of the body: blood PC	7.8	1.48	Teeguarden et al. (2013)
Fu	Plasma unbound fraction	0.95	—	Robinson et al. (1992)
CLr	Renal clearance—L/h	4.25	—	Yamazaki et al. (2010)
CLint	Intrinsic clearance—L/h	63	128.5	Robinson et al. (1992)
FURT	Particle fraction deposited in the URT	0.014	—	MPPD
FTB	Particle fraction deposited in the TB	0.07	—	MPPD
FPULM	Particle fraction deposited in PULM	0.1629	—	MPPD
Fvapor	Vapor fraction for Cigarette	0.0247	0.20	Haghnegahdar et al. (2018)
BPR	Blood plasma ratio	1	—	Values range from 0.82 to 1.2 so estimation at 1