inst/rapidPBPK/Models/GenericDiffusionLimited.R
In sahu27/sahu: Population Life Course Exposure to Health Effects Modeling
# Modified version of the Cefic Indus chem fate model
# Modified to include rest of body compartment
# Modified to have all compartments as diffusion limited
library(deSolve)
genericCarbarylModel <- function(t,state,parameters){
with(
as.list(c(state,parameters)),{
# PARAMETER SCALING
#TISSUE VOLUME CHECK
VOLTOTALC <- VOLBLOODC + VOLADIPC+ VOLBRAINC + VOLLIVERC +VOLRESTC
# SCALED TISSUE VOLUMES (L)
VOLBLOOD <- VOLBLOODC *(0.85/VOLTOTALC)* BODYWT # L; BLOOD
VOLADIP <- VOLADIPC *(0.85/VOLTOTALC)* BODYWT # L; ADIPOSE TISSUE
VOLBRAIN <- VOLBRAINC *(0.85/VOLTOTALC)* BODYWT # L; BRAIN TISSUE
VOLLIVER <- VOLLIVERC *(0.85/VOLTOTALC)* BODYWT # L; LIVER TISSUE
VOLREST <- VOLRESTC*(0.85/VOLTOTALC)*BODYWT
VOLPLS <- VOLBLOOD*(1-HCT)
VOLRBC <- VOLBLOOD*HCT
#BLOOD FLOW CHECK
FRTOTALC <- FRADIPC + FRBRAINC + FRLIVC + FRRESTC
# SCALED BLOOD FLOWS (L / HR)
CARDOUTP <- CARDOUTPC * (1-HCT) # L/HR; CARDIAC OUTPUT # use different type of QC
QADIP <- FRADIPC *(1/FRTOTALC)* CARDOUTP # L/HR; ADIPOSE BLOOD FLOW
QBRAIN <- FRBRAINC *(1/FRTOTALC)* CARDOUTP # L/HR; BRAIN BLOOD FLOW
QLIV <- FRLIVC * (1/FRTOTALC)*CARDOUTP # L/HR; LIVER ARTERIAL BLOOD FLOW
QREST <- FRRESTC* (1/FRTOTALC)*CARDOUTP
#permiability constants
PAF = PAFC* (VOLADIP ^0.75) # fat
PAR = PARC* (VOLREST ^0.75) # remaining
PAL = PALC* (VOLLIVER ^0.75) # liver
PAB = PABC* (VOLBRAIN ^0.75) # brain
#carbaryl metabolism
VKM1 = VKM1C * VOLLIVER # carbaryl CLint in liver
VKM2 = VKM2C * (VOLBLOOD*(1-HCT)) # carbaryl CLint in plasma, VPLS= (VBLD*(1-HCT))
KenB = KenBC * BODYWT^(-0.25) # carbaryl rate of excretion from plasma to urine
# TIME CONVERSIONS
HOURS<-T
DAYS<- 0.0416666666666667*T
MINUTES<- 60.0*T
WEEKS<-0.142857142857143*DAYS
YEARS<-0.000114077116130504*HOURS
MONTHS<-0.0328542094455852*DAYS
#concentrations
#LIVER
CVL = AVL/(VTBC*VOLLIVER)
CL = AL /((1-VTBC)*VOLLIVER)
CLIV_uM=(AVL+AL)/VOLLIVER
CLIV=(AVL+AL)*MW*0.001/VOLLIVER
#FAT
CVF = AVF/(VTBC*VOLADIP)
CF= AF /((1-VTBC)*VOLADIP)
CFAT_uM=(AVF+AF)/VOLADIP
CFAT=(AVF+AF)*MW*0.001/VOLADIP
#REST OF THE BODY
CVR = AVR/(VTBC*VOLREST)
CR= AR /((1-VTBC)*VOLREST)
CREST_uM=(AVR+AR)/VOLREST
CREST=(AVR+AR)*MW*0.001/VOLREST
#BRAIN
CVB = AVB/(VTBC*VOLBRAIN)
CB= AB /((1-VTBC)*VOLBRAIN)
CBRN_uM=(AVB+AB)/VOLBRAIN
CBRN=(AVB+AB)*MW*0.001/VOLBRAIN
#BLOOD
CPLS = APLS/VOLPLS
CV = (QLIV*CVL+QADIP*CVF+QREST*CVR+QBRAIN*CVB)/CARDOUTP
CPL_um = CPLS
CPL = CPLS*MW*0.001
#Oral Exposure
RTOTDOSE <- 0
avlbl_dose<- DecrBolusRt * DOSE
RODOSE <- -avlbl_dose
#Equations
RAVL = QLIV*(CPLS - CVL) + avlbl_dose +PAL*(CL/PLIV - CVL) # liver blood
RAL = PAL*(CVL-CL/PLIVER)-LRAM #liver tissue
LRAM = VKM1*(CL*FuLIV) #liver metabolism
RAVF = QADIP*(CPLS - CVF) + PAF*(CF/PADIP - CVF) #fat blood
RAF = PAF*(CVF-CF/PADIP) #fat tissue
RAVR = QREST*(CPLS - CVR) + PAR*(CR/PREST - CVR) #Rest of the body tissue blood
RAR = PAR*(CVR-CR/PREST) #REst of the body tissue
RAVB = QBRAIN*(CPLS - CVB) + PAB*(CB/PBRAIN - CVB) #brain blood
RAB = PAB*(CVB-CB/PBRAIN) #brain tissue
RAPLS = CARDOUTP *(CV-CPLS)-BRAM #blood plasma
BRAM = VKM2*(CPLS*FuPLS) #blood metabolism
# Area Under Curves
RAUCBRAIN <- CBRN
RAUCLIVER <- CLIV
RAUCADIPOSE <- CFAT
RAUCBLOOD <- CPL
# MAss Balance
TOTBOD<-AVL+AL+AVF+AF+AVR+AR+AVB+AB+APLS
TOTCLEAR<- ALRAM+ABRAM
TMASS<- TOTDOSE-TOTBOD - TOTCLEAR
list(c(RAVL, RAL,LRAM, RAVF, RAF, RAVR, RAR, RAVB, RAB, RAPLS, BRAM,RAUCBRAIN, RAUCLIVER, RAUCADIPOSE, RAUCBLOOD),
"cvl"= CVL,"cl"=CL,"cliv_um"=CLIV_uM,"cliv"=CLIV,"cvf"= CVF,"cf"=CF,"cfat_um"=CFAT_uM,"cfat"=CFAT,"cvr"=CVR,"cr"=CR,
"crest_um"=CREST_uM,"crest"=CREST,"cvb"=CVB,"cb"=CB,"cbrn_um"=CBRN_uM,"cbrn"=CBRN,"cpls"=CPLS,"cv"=CV,"cpl_um"=CPL_um,
"cpl"=CPL,"bal"=TMASS,"dose"=TOTDOSE)
}
)
}
genericModel <- function(t,state,parameters){
with(
as.list(c(state,parameters)), {
# PARAMETER SCALING
#TISSUE VOLUME CHECK
VOLTOTALC <- VOLBLOODC + VOLADIPC + VOLBONEC + VOLBRAINC + VOLHEARTC + VOLKIDNEYC + VOLINTESTC + VOLLIVERC + VOLLUNGSC + VOLMUSCLEC + VOLSKINC + VOLMARROWC
#BLOOD FLOW CHECK
FRTOTALC <- FRADIPC + FRBONEC + FRBRAINC + FRHEARTC + FRKIDNEYC + FRLIVVENC +FRLIVARTC + FRLUNGC + FRMUSCLEC + FRSKINC + FRMARROWC
# SCALED PULMONARY VENTILATION RATE
ALVVENT <- ALVVENTC * BODYWT # L/HR; SCALED PULMONARY VENTILATION RATE
# SCALED TISSUE VOLUMES (L)
VOLBLOOD <- VOLBLOODC * BODYWT # L; BLOOD
VOLBLUNGART <- FRART * VOLBLOOD # L; ARTERIAL BLOOD
VOLBLUNGVEN <- FRVEN * VOLBLOOD # L; VENOUS BLOOD
VOLADIP <- VOLADIPC * BODYWT # L; ADIPOSE TISSUE
VOLBONE <- VOLBONEC * BODYWT # L; BONE TISSUE
VOLBRAIN <- VOLBRAINC * BODYWT # L; BRAIN TISSUE
VOLHEART <- VOLHEARTC * BODYWT # L; HEART TISSUE
VOLKIDNEY <- VOLKIDNEYC * BODYWT # L; KIDNEY TISSUE
VOLINTEST <- VOLINTESTC * BODYWT # L; INTESTINE TISSUE
VOLLIVER <- VOLLIVERC * BODYWT # L; LIVER TISSUE
VOLLUNGS <- VOLLUNGSC * BODYWT # L; LUNG TISSUE
VOLMUSCLE <- VOLMUSCLEC * BODYWT # L; MUSCLE TISSUE
VOLSKIN <- VOLSKINC * BODYWT # L; SKIN TISSUE
VOLMARROW <- VOLMARROWC * BODYWT # L; MARROW TISSUE
# SCALED BLOOD FLOWS (L / HR)
CARDOUTP <- CARDOUTPC * BODYWT # L/HR; CARDIAC OUTPUT
QADIP <- FRADIPC * CARDOUTP # L/HR; ADIPOSE BLOOD FLOW
QBONE <- FRBONEC * CARDOUTP # L/HR; BONE BLOOD FLOW
QBRAIN <- FRBRAINC * CARDOUTP # L/HR; BRAIN BLOOD FLOW
QHEART <- FRHEARTC * CARDOUTP # L/HR; HEART BLOOD FLOW
QKIDNEY <- FRKIDNEYC * CARDOUTP # L/HR; KIDNEY BLOOD FLOW
QLIVVEN <- FRLIVVENC * CARDOUTP # L/HR; LIVER VENOUS BLOOD FLOW
QLIVART <- FRLIVARTC * CARDOUTP # L/HR; LIVER ARTERIAL BLOOD FLOW
QLUNG <- FRLUNGC * CARDOUTP # L/HR; LUNG BLOOD FLOW
QMUSCLE <- FRMUSCLEC * CARDOUTP # L/HR; MUSCLE BLOOD FLOW
QSKIN <- FRSKINC * CARDOUTP # L/HR; SKIN BLOOD FLOW
QMARROW <- FRMARROWC * CARDOUTP # L/HR; MARROW BLOOD FLOW
# TIME CONVERSIONS
HOURS<-T
DAYS<- 0.0416666666666667*T
MINUTES<- 60.0*T
WEEKS<-0.142857142857143*DAYS
YEARS<-0.000114077116130504*HOURS
MONTHS<-0.0328542094455852*DAYS
# Concentrations
CMUSCLE<-AMUSCLE/VOLMUSCLE
CVMUSCLE<-CMUSCLE/PMUSCLE
CSKIN<-ASKIN/VOLSKIN
CVSKIN <- CSKIN / PSKIN
CBONE<-ABONE/VOLBONE
CVBONE<-CBONE/PBONE
CMARROW<-AMARROW/VOLMARROW
CVMARROW<-CMARROW/PMARROW
CADIPOSE<-AADIPOSE/VOLADIP
CVADIPOSE <- CADIPOSE / PADIP
CSTOM<-ASTOM/VOLINTEST
CVSTOM<-CSTOM/PSTOM
CLIVER<-ALIVER/VOLLIVER
CVLIVER <- CLIVER / PLIVER
CMET<-AMET/VOLLIVER
CHEART<-AHEART/VOLHEART
CVHEART <- CHEART / PHEART
CLUNG<-ALUNG/VOLLUNGS
CVLUNG <- CLUNG / PLUNG
CINH<-0#*CEXP/(MW*RESPPROT)
CKIDNEY<-AKIDNEY/VOLKIDNEY
CVKIDNEY<-CKIDNEY/PKIDNEY
CEXC<-AEXC/URINVOL
CBRAIN<-ABRAIN/VOLBRAIN
CVBRAIN<-CBRAIN/PBRAIN
CVEN<-AVEN/VOLBLUNGVEN
CART<- AART/VOLBLUNGART
CALV<-CART/RCBA
#MASSINITABS<-2*DENS*KPW0/FPART - 2*DENS*KPW0*STRATCORN/(FPART*MASSLOAD)
#RTSCMC<-2*STRATCORN/MAXCAP
#SKINFLUX<-1000.0*RAMTABS*SKINAREA/MW
#Oral Exposure
RTOTDOSE <- 0
avlbl_dose<- DecrBolusRt * DOSE
RODOSE <- -avlbl_dose
# Amounts
# muscle
RAMUSCLE<-CART*QMUSCLE - CVMUSCLE*QMUSCLE
#skin
RASKIN<-CART*QSKIN - CVSKIN*QSKIN
# bone
RABONE<-CART*QBONE - CVBONE*QBONE
#Marrow
RAMARROW<-CART*QMARROW - CVMARROW*QMARROW
# fat
RAADIPOSE<-CART*QADIP - CVADIPOSE*QADIP
# Gastric
RASTOM<-avlbl_dose + CART*QLIVVEN - CVSTOM*QLIVVEN
# Liver Metab
RAMET<-CVLIVER*VMAX/(CVLIVER + KM)
#LIVER
RALIVER<-CART*QLIVART - CVLIVER*QLIVART - CVLIVER*QLIVVEN + CVSTOM*QLIVVEN - RAMET
# Heart
RAHEART<-CART*QHEART - CVHEART*QHEART
# Lung
RALUNG<-CART*QLUNG - CVLUNG*QLUNG
# Exhaled from Lung
RAEXH<-ALVVENT*CALV
# Inhaled into Lung
RAINH<-ALVVENT*CINH
# Kidney Exceretion
RAEXC<-CVKIDNEY*FRWSOL*GLOMFILTR*QKIDNEY*REMOVKDN
# Kidney
RAKIDNEY<-CART*QKIDNEY - CVKIDNEY*QKIDNEY - RAEXC
# Urine Generation
RURINVOL<-0.0416666666666667*BODYWT*URINFLOW
#Brain
RABRAIN<-CART*QBRAIN - CVBRAIN*QBRAIN
# Arterial Blood
RAART<--ALVVENT*CALV + ALVVENT*CINH - CART*CARDOUTP + CVEN*CARDOUTP
# venous Blood
RAVEN<-CVADIPOSE*QADIP + CVBONE*QBONE + CVBRAIN*QBRAIN + CVHEART*QHEART + CVKIDNEY*QKIDNEY + CVLIVER*QLIVART + CVLIVER*QLIVVEN + CVLUNG*QLUNG + CVMARROW*QMARROW + CVMUSCLE*QMUSCLE + CVSKIN*QSKIN - CVEN*CARDOUTP
# Area Under Curves
RAUCMUSCLE <- CMUSCLE
RAUCBRAIN <- CBRAIN
RAUCLIVER <- CLIVER
RAUCBONE <- CBONE
RAUCLUNG <- CLUNG
RAUCSKIN <- CSKIN
RAUCMARROW <- CMARROW
RAUCVEN <- CVEN
RAUCADIPOSE <- CADIPOSE
RAUCKIDNEY <- CKIDNEY
RAUCSTOM <- CSTOM
RAUCART <- CART
RAUCHEART <- CHEART
# MAss Balance
TOTBOD<-AADIPOSE + AART + ABONE + ABRAIN + AHEART + AKIDNEY + ALIVER + ALUNG + AMARROW + AMUSCLE + DOSE + ASKIN + ASTOM + AVEN
TOTCLEAR<-AEXC + AEXH + AMET
TMASS<- TOTDOSE-TOTBOD - TOTCLEAR
list(c(RAMUSCLE,RAEXH,RABRAIN,RAEXC,RALIVER,RABONE,RALUNG,RASKIN,RAMARROW,RAINH,RAVEN,RURINVOL,RAADIPOSE,RAKIDNEY,RASTOM,RAMET,RTOTDOSE,RODOSE,RAART,RAHEART,
RAUCMUSCLE,RAUCBRAIN,RAUCLIVER,RAUCBONE,RAUCLUNG,RAUCSKIN,RAUCMARROW,RAUCVEN,RAUCADIPOSE,RAUCKIDNEY,RAUCSTOM,RAUCART,RAUCHEART),
"cmusc"=CMUSCLE,"cbrn"=CBRAIN,"cliv"=CLIVER,"cbne"=CBONE,"clng"=CLUNG,"cskn"=CSKIN,"cmarr"=CMARROW,"cven"=CVEN,"cadip"=CADIPOSE,"ckdn"=CKIDNEY,
"cstm"=CSTOM,"cart"=CART,"chrt"=CHEART,"bal"=TMASS
)
})
}
sahu27/sahu documentation built on May 30, 2019, 2:06 a.m.
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# Modified version of the Cefic Indus chem fate model
# Modified to include rest of body compartment
# Modified to have all compartments as diffusion limited
library(deSolve)
genericCarbarylModel <- function(t,state,parameters){
with(
as.list(c(state,parameters)),{
# PARAMETER SCALING
#TISSUE VOLUME CHECK
VOLTOTALC <- VOLBLOODC + VOLADIPC+ VOLBRAINC + VOLLIVERC +VOLRESTC
# SCALED TISSUE VOLUMES (L)
VOLBLOOD <- VOLBLOODC *(0.85/VOLTOTALC)* BODYWT # L; BLOOD
VOLADIP <- VOLADIPC *(0.85/VOLTOTALC)* BODYWT # L; ADIPOSE TISSUE
VOLBRAIN <- VOLBRAINC *(0.85/VOLTOTALC)* BODYWT # L; BRAIN TISSUE
VOLLIVER <- VOLLIVERC *(0.85/VOLTOTALC)* BODYWT # L; LIVER TISSUE
VOLREST <- VOLRESTC*(0.85/VOLTOTALC)*BODYWT
VOLPLS <- VOLBLOOD*(1-HCT)
VOLRBC <- VOLBLOOD*HCT
#BLOOD FLOW CHECK
FRTOTALC <- FRADIPC + FRBRAINC + FRLIVC + FRRESTC
# SCALED BLOOD FLOWS (L / HR)
CARDOUTP <- CARDOUTPC * (1-HCT) # L/HR; CARDIAC OUTPUT # use different type of QC
QADIP <- FRADIPC *(1/FRTOTALC)* CARDOUTP # L/HR; ADIPOSE BLOOD FLOW
QBRAIN <- FRBRAINC *(1/FRTOTALC)* CARDOUTP # L/HR; BRAIN BLOOD FLOW
QLIV <- FRLIVC * (1/FRTOTALC)*CARDOUTP # L/HR; LIVER ARTERIAL BLOOD FLOW
QREST <- FRRESTC* (1/FRTOTALC)*CARDOUTP
#permiability constants
PAF = PAFC* (VOLADIP ^0.75) # fat
PAR = PARC* (VOLREST ^0.75) # remaining
PAL = PALC* (VOLLIVER ^0.75) # liver
PAB = PABC* (VOLBRAIN ^0.75) # brain
#carbaryl metabolism
VKM1 = VKM1C * VOLLIVER # carbaryl CLint in liver
VKM2 = VKM2C * (VOLBLOOD*(1-HCT)) # carbaryl CLint in plasma, VPLS= (VBLD*(1-HCT))
KenB = KenBC * BODYWT^(-0.25) # carbaryl rate of excretion from plasma to urine
# TIME CONVERSIONS
HOURS<-T
DAYS<- 0.0416666666666667*T
MINUTES<- 60.0*T
WEEKS<-0.142857142857143*DAYS
YEARS<-0.000114077116130504*HOURS
MONTHS<-0.0328542094455852*DAYS
#concentrations
#LIVER
CVL = AVL/(VTBC*VOLLIVER)
CL = AL /((1-VTBC)*VOLLIVER)
CLIV_uM=(AVL+AL)/VOLLIVER
CLIV=(AVL+AL)*MW*0.001/VOLLIVER
#FAT
CVF = AVF/(VTBC*VOLADIP)
CF= AF /((1-VTBC)*VOLADIP)
CFAT_uM=(AVF+AF)/VOLADIP
CFAT=(AVF+AF)*MW*0.001/VOLADIP
#REST OF THE BODY
CVR = AVR/(VTBC*VOLREST)
CR= AR /((1-VTBC)*VOLREST)
CREST_uM=(AVR+AR)/VOLREST
CREST=(AVR+AR)*MW*0.001/VOLREST
#BRAIN
CVB = AVB/(VTBC*VOLBRAIN)
CB= AB /((1-VTBC)*VOLBRAIN)
CBRN_uM=(AVB+AB)/VOLBRAIN
CBRN=(AVB+AB)*MW*0.001/VOLBRAIN
#BLOOD
CPLS = APLS/VOLPLS
CV = (QLIV*CVL+QADIP*CVF+QREST*CVR+QBRAIN*CVB)/CARDOUTP
CPL_um = CPLS
CPL = CPLS*MW*0.001
#Oral Exposure
RTOTDOSE <- 0
avlbl_dose<- DecrBolusRt * DOSE
RODOSE <- -avlbl_dose
#Equations
RAVL = QLIV*(CPLS - CVL) + avlbl_dose +PAL*(CL/PLIV - CVL) # liver blood
RAL = PAL*(CVL-CL/PLIVER)-LRAM #liver tissue
LRAM = VKM1*(CL*FuLIV) #liver metabolism
RAVF = QADIP*(CPLS - CVF) + PAF*(CF/PADIP - CVF) #fat blood
RAF = PAF*(CVF-CF/PADIP) #fat tissue
RAVR = QREST*(CPLS - CVR) + PAR*(CR/PREST - CVR) #Rest of the body tissue blood
RAR = PAR*(CVR-CR/PREST) #REst of the body tissue
RAVB = QBRAIN*(CPLS - CVB) + PAB*(CB/PBRAIN - CVB) #brain blood
RAB = PAB*(CVB-CB/PBRAIN) #brain tissue
RAPLS = CARDOUTP *(CV-CPLS)-BRAM #blood plasma
BRAM = VKM2*(CPLS*FuPLS) #blood metabolism
# Area Under Curves
RAUCBRAIN <- CBRN
RAUCLIVER <- CLIV
RAUCADIPOSE <- CFAT
RAUCBLOOD <- CPL
# MAss Balance
TOTBOD<-AVL+AL+AVF+AF+AVR+AR+AVB+AB+APLS
TOTCLEAR<- ALRAM+ABRAM
TMASS<- TOTDOSE-TOTBOD - TOTCLEAR
list(c(RAVL, RAL,LRAM, RAVF, RAF, RAVR, RAR, RAVB, RAB, RAPLS, BRAM,RAUCBRAIN, RAUCLIVER, RAUCADIPOSE, RAUCBLOOD),
"cvl"= CVL,"cl"=CL,"cliv_um"=CLIV_uM,"cliv"=CLIV,"cvf"= CVF,"cf"=CF,"cfat_um"=CFAT_uM,"cfat"=CFAT,"cvr"=CVR,"cr"=CR,
"crest_um"=CREST_uM,"crest"=CREST,"cvb"=CVB,"cb"=CB,"cbrn_um"=CBRN_uM,"cbrn"=CBRN,"cpls"=CPLS,"cv"=CV,"cpl_um"=CPL_um,
"cpl"=CPL,"bal"=TMASS,"dose"=TOTDOSE)
}
)
}
genericModel <- function(t,state,parameters){
with(
as.list(c(state,parameters)), {
# PARAMETER SCALING
#TISSUE VOLUME CHECK
VOLTOTALC <- VOLBLOODC + VOLADIPC + VOLBONEC + VOLBRAINC + VOLHEARTC + VOLKIDNEYC + VOLINTESTC + VOLLIVERC + VOLLUNGSC + VOLMUSCLEC + VOLSKINC + VOLMARROWC
#BLOOD FLOW CHECK
FRTOTALC <- FRADIPC + FRBONEC + FRBRAINC + FRHEARTC + FRKIDNEYC + FRLIVVENC +FRLIVARTC + FRLUNGC + FRMUSCLEC + FRSKINC + FRMARROWC
# SCALED PULMONARY VENTILATION RATE
ALVVENT <- ALVVENTC * BODYWT # L/HR; SCALED PULMONARY VENTILATION RATE
# SCALED TISSUE VOLUMES (L)
VOLBLOOD <- VOLBLOODC * BODYWT # L; BLOOD
VOLBLUNGART <- FRART * VOLBLOOD # L; ARTERIAL BLOOD
VOLBLUNGVEN <- FRVEN * VOLBLOOD # L; VENOUS BLOOD
VOLADIP <- VOLADIPC * BODYWT # L; ADIPOSE TISSUE
VOLBONE <- VOLBONEC * BODYWT # L; BONE TISSUE
VOLBRAIN <- VOLBRAINC * BODYWT # L; BRAIN TISSUE
VOLHEART <- VOLHEARTC * BODYWT # L; HEART TISSUE
VOLKIDNEY <- VOLKIDNEYC * BODYWT # L; KIDNEY TISSUE
VOLINTEST <- VOLINTESTC * BODYWT # L; INTESTINE TISSUE
VOLLIVER <- VOLLIVERC * BODYWT # L; LIVER TISSUE
VOLLUNGS <- VOLLUNGSC * BODYWT # L; LUNG TISSUE
VOLMUSCLE <- VOLMUSCLEC * BODYWT # L; MUSCLE TISSUE
VOLSKIN <- VOLSKINC * BODYWT # L; SKIN TISSUE
VOLMARROW <- VOLMARROWC * BODYWT # L; MARROW TISSUE
# SCALED BLOOD FLOWS (L / HR)
CARDOUTP <- CARDOUTPC * BODYWT # L/HR; CARDIAC OUTPUT
QADIP <- FRADIPC * CARDOUTP # L/HR; ADIPOSE BLOOD FLOW
QBONE <- FRBONEC * CARDOUTP # L/HR; BONE BLOOD FLOW
QBRAIN <- FRBRAINC * CARDOUTP # L/HR; BRAIN BLOOD FLOW
QHEART <- FRHEARTC * CARDOUTP # L/HR; HEART BLOOD FLOW
QKIDNEY <- FRKIDNEYC * CARDOUTP # L/HR; KIDNEY BLOOD FLOW
QLIVVEN <- FRLIVVENC * CARDOUTP # L/HR; LIVER VENOUS BLOOD FLOW
QLIVART <- FRLIVARTC * CARDOUTP # L/HR; LIVER ARTERIAL BLOOD FLOW
QLUNG <- FRLUNGC * CARDOUTP # L/HR; LUNG BLOOD FLOW
QMUSCLE <- FRMUSCLEC * CARDOUTP # L/HR; MUSCLE BLOOD FLOW
QSKIN <- FRSKINC * CARDOUTP # L/HR; SKIN BLOOD FLOW
QMARROW <- FRMARROWC * CARDOUTP # L/HR; MARROW BLOOD FLOW
# TIME CONVERSIONS
HOURS<-T
DAYS<- 0.0416666666666667*T
MINUTES<- 60.0*T
WEEKS<-0.142857142857143*DAYS
YEARS<-0.000114077116130504*HOURS
MONTHS<-0.0328542094455852*DAYS
# Concentrations
CMUSCLE<-AMUSCLE/VOLMUSCLE
CVMUSCLE<-CMUSCLE/PMUSCLE
CSKIN<-ASKIN/VOLSKIN
CVSKIN <- CSKIN / PSKIN
CBONE<-ABONE/VOLBONE
CVBONE<-CBONE/PBONE
CMARROW<-AMARROW/VOLMARROW
CVMARROW<-CMARROW/PMARROW
CADIPOSE<-AADIPOSE/VOLADIP
CVADIPOSE <- CADIPOSE / PADIP
CSTOM<-ASTOM/VOLINTEST
CVSTOM<-CSTOM/PSTOM
CLIVER<-ALIVER/VOLLIVER
CVLIVER <- CLIVER / PLIVER
CMET<-AMET/VOLLIVER
CHEART<-AHEART/VOLHEART
CVHEART <- CHEART / PHEART
CLUNG<-ALUNG/VOLLUNGS
CVLUNG <- CLUNG / PLUNG
CINH<-0#*CEXP/(MW*RESPPROT)
CKIDNEY<-AKIDNEY/VOLKIDNEY
CVKIDNEY<-CKIDNEY/PKIDNEY
CEXC<-AEXC/URINVOL
CBRAIN<-ABRAIN/VOLBRAIN
CVBRAIN<-CBRAIN/PBRAIN
CVEN<-AVEN/VOLBLUNGVEN
CART<- AART/VOLBLUNGART
CALV<-CART/RCBA
#MASSINITABS<-2*DENS*KPW0/FPART - 2*DENS*KPW0*STRATCORN/(FPART*MASSLOAD)
#RTSCMC<-2*STRATCORN/MAXCAP
#SKINFLUX<-1000.0*RAMTABS*SKINAREA/MW
#Oral Exposure
RTOTDOSE <- 0
avlbl_dose<- DecrBolusRt * DOSE
RODOSE <- -avlbl_dose
# Amounts
# muscle
RAMUSCLE<-CART*QMUSCLE - CVMUSCLE*QMUSCLE
#skin
RASKIN<-CART*QSKIN - CVSKIN*QSKIN
# bone
RABONE<-CART*QBONE - CVBONE*QBONE
#Marrow
RAMARROW<-CART*QMARROW - CVMARROW*QMARROW
# fat
RAADIPOSE<-CART*QADIP - CVADIPOSE*QADIP
# Gastric
RASTOM<-avlbl_dose + CART*QLIVVEN - CVSTOM*QLIVVEN
# Liver Metab
RAMET<-CVLIVER*VMAX/(CVLIVER + KM)
#LIVER
RALIVER<-CART*QLIVART - CVLIVER*QLIVART - CVLIVER*QLIVVEN + CVSTOM*QLIVVEN - RAMET
# Heart
RAHEART<-CART*QHEART - CVHEART*QHEART
# Lung
RALUNG<-CART*QLUNG - CVLUNG*QLUNG
# Exhaled from Lung
RAEXH<-ALVVENT*CALV
# Inhaled into Lung
RAINH<-ALVVENT*CINH
# Kidney Exceretion
RAEXC<-CVKIDNEY*FRWSOL*GLOMFILTR*QKIDNEY*REMOVKDN
# Kidney
RAKIDNEY<-CART*QKIDNEY - CVKIDNEY*QKIDNEY - RAEXC
# Urine Generation
RURINVOL<-0.0416666666666667*BODYWT*URINFLOW
#Brain
RABRAIN<-CART*QBRAIN - CVBRAIN*QBRAIN
# Arterial Blood
RAART<--ALVVENT*CALV + ALVVENT*CINH - CART*CARDOUTP + CVEN*CARDOUTP
# venous Blood
RAVEN<-CVADIPOSE*QADIP + CVBONE*QBONE + CVBRAIN*QBRAIN + CVHEART*QHEART + CVKIDNEY*QKIDNEY + CVLIVER*QLIVART + CVLIVER*QLIVVEN + CVLUNG*QLUNG + CVMARROW*QMARROW + CVMUSCLE*QMUSCLE + CVSKIN*QSKIN - CVEN*CARDOUTP
# Area Under Curves
RAUCMUSCLE <- CMUSCLE
RAUCBRAIN <- CBRAIN
RAUCLIVER <- CLIVER
RAUCBONE <- CBONE
RAUCLUNG <- CLUNG
RAUCSKIN <- CSKIN
RAUCMARROW <- CMARROW
RAUCVEN <- CVEN
RAUCADIPOSE <- CADIPOSE
RAUCKIDNEY <- CKIDNEY
RAUCSTOM <- CSTOM
RAUCART <- CART
RAUCHEART <- CHEART
# MAss Balance
TOTBOD<-AADIPOSE + AART + ABONE + ABRAIN + AHEART + AKIDNEY + ALIVER + ALUNG + AMARROW + AMUSCLE + DOSE + ASKIN + ASTOM + AVEN
TOTCLEAR<-AEXC + AEXH + AMET
TMASS<- TOTDOSE-TOTBOD - TOTCLEAR
list(c(RAMUSCLE,RAEXH,RABRAIN,RAEXC,RALIVER,RABONE,RALUNG,RASKIN,RAMARROW,RAINH,RAVEN,RURINVOL,RAADIPOSE,RAKIDNEY,RASTOM,RAMET,RTOTDOSE,RODOSE,RAART,RAHEART,
RAUCMUSCLE,RAUCBRAIN,RAUCLIVER,RAUCBONE,RAUCLUNG,RAUCSKIN,RAUCMARROW,RAUCVEN,RAUCADIPOSE,RAUCKIDNEY,RAUCSTOM,RAUCART,RAUCHEART),
"cmusc"=CMUSCLE,"cbrn"=CBRAIN,"cliv"=CLIVER,"cbne"=CBONE,"clng"=CLUNG,"cskn"=CSKIN,"cmarr"=CMARROW,"cven"=CVEN,"cadip"=CADIPOSE,"ckdn"=CKIDNEY,
"cstm"=CSTOM,"cart"=CART,"chrt"=CHEART,"bal"=TMASS
)
})
}
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