{"text_format":"1","workbook":"xlsx","n_sheets":11,"sheets":["About","Test Conditions","Organism","Chemical","Steady State Output","Fugacities","Concentration","Compartment Concentrations","Graphs","Parameters Summary","Fish Database"],"not_rendered":{"charts":10,"images":0,"macros":1,"external_links":0,"defined_names":1,"comments":3,"pivot_tables":0},"unopened":[],"bounds":{"document_bytes":16777216,"sheet_cells":100000,"rows_first":2000,"rows_last":500,"rows_between":2000,"halvings":0,"cell_chars":16384,"cell_head_chars":4096},"cells_cut":0,"cells_raw":0,"read":"whole","date_system":"1900"}

{"sheet":"About","index":0,"n_rows":20,"n_cols":3,"rows_kept":20,"cut":false,"hidden":false,"merged":[[19,1,19,22],[1,1,1,22],[2,1,2,22],[3,1,3,22],[18,1,18,22],[4,1,4,22]]}
[]
[null,"Physiologically-Based ToxicoKinetic (PBTK) Fish model"]
[null,"This model is a multicompartment (membrane, liver, richly perfused, slowly perfused) model that can be used to estimate uptake, distribution, and toxicity of neutral organic chemicals in fish"]
[null,"The PBTK Fish Model is based on the publication: \nCelsie, A.K.D., Mackay, D., Parnis, J.M. Arnot, J.A. \"A fugacity-based toxicokinetic model for narcotic organic chemicals in fish\". Environ. Toxicol. Chem. 35(5), 1257-1267, 2016.  "]
[null,"https://doi.org/10.1002/etc.3270"]
[null,"Instructions:"]
[null,"Input values are required in Test Conditions, Organism, And Chemical sheets"]
[null,"Inputs are indicated by coloured cells, calculated cells are white"]
[null,"Some cells contain helpful notes. See the publication for a more detailed explanation or further guidance"]
[null,"The 'Fish Database' sheet contains organism values for a Fathead minnow and Rainbow trout. Additional organisms can be added by the user."]
[null,"Once all inputs have been set, click the 'Run Model' button in the \"Test Conditions' sheet"]
[null,"Results include steady-stade fugacities and concentrations, fugacities and concentrations at each timestep, and graphs of results plotted against time, including: "]
[null,null,"- Concentration (whole-body)"]
[null,null,"- Concentration (lipid-normalized)"]
[null,null,"- Concentration in cell membrane "]
[null,null,"- Volume fraction in cell membrane"]
[null,null,"- Chemical activity in cell membrane"]
[null,null,"- Corresponding probability of death corresponding to each result"]
[null,"In the 'Graphs' sheet the closest value calculated to probability of death for 50% of the population i.e., P(50) will be shown (or first calculated value greater than 50% probability of death) along with the corresponding concentration and time"]
[null,"Any questions about the model please feel free to contact alenacelsie@trentu.ca or mparnis@trentu.ca"]

{"sheet":"Test Conditions","index":1,"n_rows":10,"n_cols":10,"rows_kept":10,"cut":false,"hidden":false,"merged":[[4,9,4,18]]}
["PBTK model to apply a neutral organic chemical to a fish"]
[]
["Test Conditions","Symbol","Value","Eqn"]
["Water concentration, mg/L, g/m3","CWMGL",20]
[null,null,null,null,null,null,null,null,"Trial is simulating:","INSERT REFERENCE HERE"]
["Timestep","deltat",0.05]
["number of steps","N",200]
["Starting time","TIM",0]
["Total time hours","TIMT",{"$f":"C7*C6","v":10},"N*deltat"]
["Print frequency, 1 in x","PRINF",1]

{"sheet":"Organism","index":2,"n_rows":59,"n_cols":5,"rows_kept":59,"cut":false,"hidden":false,"merged":[]}
["INSERT FISH SPECIES HERE"]
[]
["Organism Properties ","Symbol","Value","Equation"]
["Organism volume, cm3","VFCM",0.6]
["Temperature, degrees C","TC",20]
["Saturation oxygen conc. mg/L","LOXS",{"$f":"14.04-0.24*C5","v":9.2399999999999984},"14.04-0.24*TC"]
["Respiration efficiy  A-G corrln","EV",{"$f":"1/(1.85+155/Chemical!C9)","v":0.52188627154116751},"1/(1.85+155/Kow)"]
["Percent oxygen saturation in water","POX",{"$f":"80","v":80}]
["Actual oxygen concn mg/L ","COX",{"$f":"C8*C6/100","v":7.3919999999999986},"POX*LOXS*100"]
["Growth Rate constant (days-1)","kG",{"$f":"0.00001","v":1.0000000000000001E-5}]
["Gill Ventilation Rate L/day A-G","GVLD",{"$f":"1400*(C17^0.65)/C9","v":1.5246297511908296},"1400*(masskg^0.65)/COX"]
["Gill Ventilation Rate m3/h","GVLM",{"$f":"C11/24/1000","v":6.3526239632951233E-5},"GVLD/24/1000"]
["Water respiration rate (m3/h)","GR",{"$f":"C12*C7","v":3.3153472347071666E-5},"EV*GVLM"]
["Weibull slope factor","S",{"$f":"5","v":5}]
["Respiration rate constant (hour-1)","kv",{"$f":"C7*C12*1000/C17","v":55.25578724511945},"EV*GVLM*1000/masskg"]
["Respiration rate constant (day-1)","k1",{"$f":"C15*24","v":1326.1388938828668},"kv*24"]
["Organism mass kg","masskg",{"$f":"C4/1000","v":5.9999999999999995E-4},"VFCM/1 000"]
["Organism total volume, m3","VFT",{"$f":"C4/1000000","v":5.9999999999999997E-7},"VFCM/1 000 000"]
["Compartment volume fractions","VFx"]
["Vol. fraction membrane","VFM",0.01]
["Vol. fraction liver","VFL",1.2999999999999999E-2]
["Vol. fraction fast","VFF",7.0000000000000007E-2]
["Vol fraction slow","VFS",0.90700000000000003]
["Vol. fraction total",null,{"$f":"SUM(C20:C23)","v":1}]
["Compartment Lipid Fraction","LCx"]
["Lipid compartment - membrane","LCM",1]
["Lipid compartment - Liver","LCL",3.5000000000000003E-2]
["Lipid compartment - Fast","LCF",0.03]
["Lipid compartment - Slow","LCS",0.06]
["Blood lipid fraction","LCB",1.2500000000000001E-2]
["Compartment lipid volumes m3","VLx"]
["Membrane","VLM",{"$f":"C26*C20*C18","v":6E-9},"LCM*VFM*VFT"]
["Liver","VLL",{"$f":"C27*C21*C18","v":2.7299999999999999E-10},"LCL*VFL*VFT"]
["Fast","VLF",{"$f":"C28*C22*C18","v":1.2600000000000002E-9},"LCF*VFF*VFT"]
["slow","VLS",{"$f":"C29*C23*C18","v":3.2652E-8},"LCS*VFS*VFT"]
["Selected Toxic endpoints","CBRxx"]
["CBR wet wt mmol/kg","CBRWW",8]
["CBR lipid wt mmol/kg","CBRLW",120]
["Conc membrane mmol/kg","CBRLM",91]
["Vol frn lipid membrane %","CBRVF",1.3]
["Chemical activity in membrane","CBRAC",4.5999999999999999E-2]
["Corresponding fugacity endpoints ","FXxx"]
["CBR wet wt mmol/kg","FXWW",{"$f":"C37/Chemical!C34","v":9.084350305223607},"CBRWW/Zt"]
["CBR lipid wt mmol/kg","FXLW",{"$f":"C38/Chemical!C28","v":2.2013651877133107},"CBRLW/Zo"]
["Conc membrane mmol/kg","FXLM",{"$f":"C39/Chemical!C30","v":1.6693686006825939},"CBRLM/Zm"]
["Vol frn lipid membrane %","FXVF",{"$f":"C40/100/Chemical!C7/Chemical!C30*10^6","v":1.6157264814968972},"CBRVF/100/MV/Zm*10^6"]
["Compartment volumes cm3 ",null,null,null,"Compartment volumes (m3)"]
["membrane",null,{"$f":"C4*C20","v":6.0000000000000001E-3},"VFCM*VFM",{"$f":"C48/10^6","v":6E-9}]
["liver",null,{"$f":"C4*C21","v":7.7999999999999996E-3},"VFCM*VFL",{"$f":"C49/10^6","v":7.8000000000000004E-9}]
["fast",null,{"$f":"C4*C22","v":4.2000000000000003E-2},"VFCM*VFF",{"$f":"C50/10^6","v":4.2000000000000006E-8}]
["slow",null,{"$f":"C4*C23","v":0.54420000000000002},"VFCM*VFS",{"$f":"C51/10^6","v":5.4420000000000002E-7}]
["total",null,{"$f":"C48+C49+C50+C51","v":0.6},"SUM(Compartment Volumes)",{"$f":"E48+E49+E50+E51","v":5.9999999999999997E-7}]
["Compartment lipid volumes cm3",null,null,null,"Compartment lipid volumes (m3)"]
["membrane",null,{"$f":"C32*10^6","v":6.0000000000000001E-3},"VLM*10^6",{"$f":"C54/10^6","v":6E-9}]
["liver",null,{"$f":"C33*10^6","v":2.7299999999999997E-4},"VLL*10^6",{"$f":"C55/10^6","v":2.7299999999999999E-10}]
["fast",null,{"$f":"C34*10^6","v":1.2600000000000003E-3},"VLF*10^6",{"$f":"C56/10^6","v":1.2600000000000002E-9}]
["slow",null,{"$f":"C35*10^6","v":3.2652E-2},"VLS*10^6",{"$f":"C57/10^6","v":3.2652E-8}]
["total",null,{"$f":"C54+C55+C56+C57","v":4.0184999999999998E-2},"SUM(Compartment Volumes)",{"$f":"E54+E55+E56+E57","v":4.0184999999999999E-8}]
["Fraction Total Lipid in fish",null,{"$f":"C58/C4","v":6.6975000000000007E-2},"Lipid volume total/VFCM"]

{"sheet":"Chemical","index":3,"n_rows":79,"n_cols":4,"rows_kept":79,"cut":false,"hidden":false,"merged":[[28,4,28,5]]}
["CEFIC Biouptake Model"]
[]
["Chemical Properties","Symbol","Value","Equation"]
["Chemical name","NAME","Naphthalene"]
["Molar Mass, g/mol","MW",128.19999999999999]
["Liquid vapour pressure (Pa)","VPL",36.200000000000003]
["Molar Volume (cm3/mol)","MV",147.6]
["Henry's Law constant (Pa m3/mol)","H",43]
["Octanol-Water partition ratio","Kow",2344]
["Air-Water partition ratio","Kaw",{"$f":"C8/(8.314*(273.15+Organism!C5))","v":1.764284167752898E-2},"H/(8.314*(273.15+TC))"]
["Liquid solubility  mol/m3","SOLY",0.8427]
["Scaling factors for Kow to each compartment","KLWOEQx"]
["Membrane","KLWOEQM",{"$f":"1","v":1}]
["Liver","KLWOEQL",{"$f":"1","v":1}]
["Fast","KLWOEQF",{"$f":"1","v":1}]
["Slow","KLWOEQS",{"$f":"1","v":1}]
["Lipid-W partn coeffs ie KLWOEx*Kow","KLWx"]
["Membrane","KLWM",{"$f":"$C$9*C13","v":2344},"Kow*KLWOEQM"]
["Liver","KLWL",{"$f":"$C$9*C14","v":2344},"Kow*KLWOEQL"]
["Fast","KLWF",{"$f":"$C$9*C15","v":2344},"Kow*KLWOEQF"]
["Slow","KLWS",{"$f":"$C$9*C16","v":2344},"Kow*KLWOEQS"]
["Metabolic halflife, whole body  days","TAUM",500]
["Metab rate constant, h-1 whole body","kM",{"$f":"0.693/C22/24","v":5.7749999999999994E-5},"0.693/TAUM/24"]
["Metab rate const in liver (m3/h)","kML",{"$f":"C23*C72/C69","v":8.5006730769230758E-3},"kM*VZT/Fraction of Lipid in Liver"]
["Z-Values (mol/m3 Pa)","Zx"]
["air","Za",{"$f":"1/(8.314*(273.15+Organism!C5))","v":4.1029864366346467E-4},"1/(8.314*(273.15+TC)"]
["water","Zw",{"$f":"C26/C10","v":2.3255813953488372E-2},"Za/Kaw"]
["octanol","Zo",{"$f":"C27*C9","v":54.511627906976742},"Zw*Kow"]
["blood ","Zb",{"$f":"C27+Organism!C30*C28","v":0.70465116279069773},"Zw+LCB*Zo"]
["membrane","Zm",{"$f":"C27*C18*Organism!C26","v":54.511627906976742},"Zw*KLWM*LCM"]
["liver","ZL",{"$f":"C27*C19*Organism!C27","v":1.9079069767441861},"Zw*KLWL*LCL"]
["fast","Zf",{"$f":"C27*C20*Organism!C28","v":1.6353488372093021},"Zw*KLWF*LCF"]
["slow","Zs",{"$f":"C27*C21*Organism!C29","v":3.2706976744186043},"Zw*KLWS*LCS"]
[null,"Zt",{"$f":"(C30*Organism!C20)+(Chemical!C31*Organism!C21)+(Chemical!C32*Organism!C22)+(Chemical!C33*Organism!C29)","v":0.88063534883720929},"(Zm*VFM)+(ZL*VFL)+(Zf*VFF)+(Zs*VFS)"]
["Concentration in Water (mol/m3)","Cw",{"$f":"'Test Conditions'!C4/Chemical!C5","v":0.15600624024960999},"CWMGL/MW"]
["Fugacity in Water (Pa)","fw",{"$f":"C35/C27","v":6.7082683307332296},"Cw/Zw"]
["Percent cardiac output to each compartment","%Gx"]
["Membrane","%Gm",7]
["Liver","%GL",3]
["Fast","%Gf",25]
["Slow","%Gs",65]
["Blood Flow Rates (cm3/hr)","Gx"]
["Total Cardiac output","Gt",1.6459999999999999]
["Membrane","Gm",{"$f":"$C$43*C38/100","v":0.11521999999999999},"Gm=Gt * %Gm"]
["Liver","GL",{"$f":"$C$43*C39/100","v":4.938E-2},"GL=Gt * %GL"]
["Fast","Gf",{"$f":"$C$43*C40/100","v":0.41149999999999998},"Gf=Gt * %Gf"]
["Slow","Gs",{"$f":"$C$43*C41/100","v":1.0698999999999999},"Gs=Gt * %Gs"]
["Blood Flow Rates (m3/h)","Gx"]
["Total Cardiac output","Gt",{"$f":"C43/1000000","v":1.646E-6}]
["Membrane","Gm",{"$f":"C44/1000000","v":1.1522E-7},"Gm/1 000 000"]
["Liver","GL",{"$f":"C45/1000000","v":4.9380000000000003E-8},"GL/1 000 000"]
["Fast","Gf",{"$f":"C46/1000000","v":4.115E-7},"Gf/1 000 000"]
["Slow","Gs",{"$f":"C47/1000000","v":1.0698999999999999E-6},"Gs/1 000 000"]
["Compartment Blood Residence Times (h)","CTTBx","(Characteristic Access Times)"]
["Membrane","CTTBM",{"$f":"Organism!E48/Chemical!C50","v":5.2074292657524737E-2},"CTTbm=VFm/Gm"]
[" Liver","CTTBL",{"$f":"Organism!E49/C51","v":0.15795868772782504},"CTTbL=VFL/GL"]
[" Fast","CTTBF",{"$f":"Organism!E50/Chemical!C52","v":0.1020656136087485},"CTTbf=VFf/Gf"]
[" Slow","CTTBS",{"$f":"Organism!E51/Chemical!C53","v":0.50864566781942244},"CTTbs=VFs/Gs"]
["D-Values ie G*ZB (mol/h*Pa)"]
["Membrane to Blood","DBM",{"$f":"$C$29*C50","v":8.1189906976744189E-8},"Zb*Gm"]
["Liver to blood","DBL",{"$f":"$C$29*C51","v":3.4795674418604653E-8},"Zb*Gl"]
["Fast to Blood","DBF",{"$f":"$C$29*C52","v":2.8996395348837212E-7},"Zb*Gf"]
["Slow to Blood","DBS",{"$f":"$C$29*C53","v":7.5390627906976746E-7},"Zb*Gs"]
["Metabolism in Liver","DML",{"$f":"Organism!E49*C31*C24","v":1.2650424906976743E-10},"(VFCM*VFL)/10^6 *ZL*kML"]
["Respiration intake, ZW*GVLM*EV","DR",{"$f":"C27*Organism!C12*Organism!C7","v":7.7101098481562003E-7},"Zw*GVLM*EV"]
[" Gills","DG",{"$f":"(C65*Organism!C7)/(1-Organism!C7)","v":8.4159902598855032E-7},"(DR*EV)/(1-EV)"]
["VZ capacity terms of compartments (mol/Pa)"]
["VZ of membrane ","VZM",{"$f":"Organism!C18*Organism!C20*C30","v":3.2706976744186043E-7},"VFT*VFM*Zm"]
["VZ of liver ","VZL",{"$f":"Organism!C18*Organism!C21*C31","v":1.4881674418604649E-8},"VFT*VFL*ZL"]
["VZof fast responding","VZF",{"$f":"Organism!C18*Organism!C22*C32","v":6.8684651162790694E-8},"VFT*VFF*Zf"]
["VZ of slow responding","VZS",{"$f":"C33*Organism!C23*Organism!C18","v":1.7799136744186045E-6},"VFT*VFS*Zs"]
["VZ total","VZT",{"$f":"SUM(C68:C71)","v":2.1905497674418601E-6},"SUM(VZM:VZS)"]
["Char uptake times VZ/D (h)"]
["VZ/D of membrane ",null,{"$f":"C68/C60","v":4.028453530997953},"VZM/DBM"]
["VZ/D of liver ",null,{"$f":"C69/C61","v":0.42768748320761596},"VZL/DBL"]
["VZ/D of fast responding",null,{"$f":"C70/C62","v":0.2368730676226796},"VZF/DBF"]
["VZ/D  of slow responding",null,{"$f":"C71/C63","v":2.3609216739974772},"VZS/DBS"]
["VZ/DM of liver ",null,{"$f":"C69/C64","v":117.63774361758684},"VZL/DML"]
["VZ/Total D of liver",null,{"$f":"C69/(C61+C64)","v":0.42613820174913125},"VZL/(DBL+DML)"]

{"sheet":"Steady State Output","index":4,"n_rows":33,"n_cols":10,"rows_kept":33,"cut":false,"hidden":false,"merged":[]}
["Steady-State Output"]
[]
["Steady-state fugacities (Pa)","Symbol","Value","Equation",null,"Concentrations"," mol/m3","Equation","g/m3","Equation"]
["water","FW",{"$f":"Chemical!C35/Chemical!C27","v":6.7082683307332296},"Cw/Zw",null,"water",{"$f":"C4*Chemical!C27","v":0.15600624024960999},"fw*Zw",{"$f":"G4*Chemical!$C$5","v":20},"mol/m3*g/mol"]
[" liver","FL",{"$f":"C4/(1+Chemical!C64*(1/Chemical!C65+1/Chemical!C66+1/Chemical!C61))","v":6.6818747820955471},"Fw/[(1+DML)*(1/DR+1/DG+1/DBL)]",null," liver",{"$f":"C5*Chemical!C31","v":12.748395514491133},"fL*ZL",{"$f":"G5*Chemical!$C$5","v":1634.3443049577631},"\""]
["blood","FB",{"$f":"C5*(1+(Chemical!C64/Chemical!C61))","v":6.7061676163575914},"FL*(1+(DML/DBL))",null,"blood",{"$f":"C6*Chemical!C29","v":4.7255088087356985},"fB*Zb",{"$f":"G6*Chemical!$C$5","v":605.81022927991648},"\""]
["membrane","FM",{"$f":"C6","v":6.7061676163575914},"FB",null,"membrane",{"$f":"C7*Chemical!C30","v":365.56411378470216},"fm*Zm",{"$f":"G7*Chemical!$C$5","v":46865.319387198811},"\""]
["fast reacting tissue","FF",{"$f":"C6","v":6.7061676163575914},"FB",null,"fast reacting tissue",{"$f":"C8*Chemical!C32","v":10.966923413541064},"Ff*Zf",{"$f":"G8*Chemical!$C$5","v":1405.9595816159642},"\""]
["slow reacting tissue","FS",{"$f":"C6","v":6.7061676163575914},"FB",null,"slow reacting tissue",{"$f":"C9*Chemical!C33","v":21.933846827082128},"Fs*Zs",{"$f":"G9*Chemical!$C$5","v":2811.9191632319285},"\""]
["gills","FG",{"$f":"((Chemical!C65*'Steady State Output'!C4)+('Steady State Output'!C6*Chemical!C66))/(Chemical!C66+Chemical!C65)","v":6.707171996740156},"(Fw*DR)+(FB*DG)/(DR+DG)"]
[]
[]
["Mass Balance Checks (mol/h)"]
["Input to Gill from Water","=",{"$f":"(C4*Chemical!C65)","v":5.1721485720860632E-6}]
["Input to Gill from Blood","=",{"$f":"(C6*Chemical!C66)","v":5.6439041340425069E-6}]
["Output to Water from Gill","=",{"$f":"(C10*Chemical!C66)","v":5.6447494195941955E-6}]
["Output to Blood from Gill","=",{"$f":"(Chemical!C65*'Steady State Output'!C10)","v":5.1713032865343764E-6}]
["Gill (input-output)","=",{"$f":"(C14+C15)-(C16+C17)","v":0}]
["Input to Blood from Gill","=",{"$f":"(C10*Chemical!C66)","v":5.6447494195941955E-6}]
["Input to Blood from Membrane","=",{"$f":"C7*Chemical!C60","v":5.4447312494252718E-7}]
["Input to Blood from Liver","=",{"$f":"(Chemical!C61*'Steady State Output'!C5)","v":2.3250033942368158E-7}]
["Input to Blood from Fast","=",{"$f":"C8*Chemical!C62","v":1.9445468747947399E-6}]
["Input to Blood from Slow","=",{"$f":"C9*Chemical!C63","v":5.0558218744663233E-6}]
["Output to Gills from Blood","=",{"$f":"(Chemical!C66*'Steady State Output'!C6)","v":5.6439041340425069E-6}]
["Output to Membrane from Blood","=",{"$f":"C6*Chemical!C60","v":5.4447312494252718E-7}]
["Output to Liver from Blood","=",{"$f":"(C6*Chemical!C61)","v":2.3334562497536878E-7}]
["Output to Fast from Blood","=",{"$f":"C6*Chemical!C62","v":1.9445468747947399E-6}]
["Output to Slow from Blood","=",{"$f":"C6*Chemical!C63","v":5.0558218744663233E-6}]
["Blood (input-output)","=",{"$f":"SUM(C19:C23)-SUM(C24:C28)","v":0}]
["Input to Liver from Blood","=",{"$f":"C6*Chemical!C61","v":2.3334562497536878E-7}]
["Flow output from Liver","=",{"$f":"C5*Chemical!C61","v":2.3250033942368158E-7}]
["Liver Metabolism","=",{"$f":"Chemical!C64*C5","v":8.4528555168721303E-10}]
["Liver (input-output)","=",{"$f":"C30-(C31+C32)","v":0}]

{"sheet":"Fugacities","index":5,"n_rows":202,"n_cols":9,"rows_kept":202,"cut":false,"hidden":false,"merged":[]}
["Fugacities (Pa) over time (h)"]
[null,"TIM","Fw","Fg","Fb","Fm","FL","Ff","Fs"]
[null,0.05,6.7082683307332296,3.2073151831091735,1.3486556280336253,1.6739124432206154E-2,0.15766835376135335,0.28467897206911025,2.8562057837143363E-2]
[null,0.1,6.7082683307332296,3.9111600404166542,1.7000400869501475,3.7631768733263016E-2,0.33791661559918956,0.58343837284986888,6.3960903286405607E-2]
[null,0.15000000000000002,6.7082683307332296,4.0945427655581081,1.8377497758677903,5.9974312782287598E-2,0.51311517515791238,0.84820283417223896,0.10152650514684412]
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{"sheet":"Concentration","index":6,"n_rows":201,"n_cols":12,"rows_kept":201,"cut":false,"hidden":false,"merged":[]}
["TIME (Hours)","Concentration in Whole Body (mol/m3)","Lipid Normalized Whole Body Conc.","Concentration in Membrane Lipids","Volume Fraction Percent in Membrane Lipids","Chemical Activity in Membrane","Probabilities of Death >","P(Concentration in Whole Body)","P(Lipid Normalized Whole Body Conc.)","P(Concentration in Membrane Lipids)","P(Volume Fraction in Membrane Lipids)","P(Chemical Activity in Membrane)"]
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[null,"Summary of relevant parameters"]
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[null,"Concentration in water:",{"$f":"'Test Conditions'!C4","v":20},"mg/L or g/m3",null,"fw:",{"$f":"'Steady State Output'!C4","v":6.7082683307332296},"Pa"]
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[null,"Parameters","Blood","Membrane","Liver","Fast","Slow","Total"]
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[null,"Lipid %",null,{"$f":"Organism!C26*100","v":100},{"$f":"Organism!C27*100","v":3.5000000000000004},{"$f":"Organism!C28*100","v":3},{"$f":"Organism!C29*100","v":6},112.5]
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[null,"T=VZ/D",null,{"$f":"Chemical!C74","v":4.028453530997953},{"$f":"Chemical!C75","v":0.42768748320761596},{"$f":"Chemical!C76","v":0.2368730676226796},{"$f":"Chemical!C77","v":2.3609216739974772}]
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[null,"Fugacity (steady-state)",{"$f":"'Steady State Output'!C6","v":6.7061676163575914},{"$f":"'Steady State Output'!C7","v":6.7061676163575914},{"$f":"'Steady State Output'!C5","v":6.6818747820955471},{"$f":"'Steady State Output'!C8","v":6.7061676163575914},{"$f":"'Steady State Output'!C9","v":6.7061676163575914}]
[null,"Concentration (steady-state)",{"$f":"'Steady State Output'!G6","v":4.7255088087356985},{"$f":"'Steady State Output'!G7","v":365.56411378470216},{"$f":"'Steady State Output'!G5","v":12.748395514491133},{"$f":"'Steady State Output'!G8","v":10.966923413541064},{"$f":"'Steady State Output'!G9","v":21.933846827082128}]
[null,"Fugacity at 50 hours",{"$f":"Fugacities!E52","v":3.3317025006018111},{"$f":"Fugacities!F52","v":1.2814697027206421},{"$f":"Fugacities!G52","v":3.1429962922421635},{"$f":"Fugacities!H52","v":3.2484412968409693},{"$f":"Fugacities!I52","v":1.848217889891445}]
[null,"Concentration at test time(mol/m^3)",{"$f":"'Compartment Concentrations'!G52","v":2.3476880411217413},{"$f":"'Compartment Concentrations'!B52","v":69.854999608771749},{"$f":"'Compartment Concentrations'!C52","v":5.9965445538499322},{"$f":"'Compartment Concentrations'!D52","v":5.3123346975315568},{"$f":"'Compartment Concentrations'!E52","v":6.0449619542868094}]
[null,"Concentration at test time(g/m^3)",{"$f":"C25*Chemical!$C$5","v":300.97360687180719},{"$f":"D25*Chemical!$C$5","v":8955.4109498445378},{"$f":"E25*Chemical!C5","v":768.75701180356123},{"$f":"F25*Chemical!C5","v":681.04130822354557},{"$f":"G25*Chemical!C5","v":774.96412253956885}]
[null,"Fraction of steady-state completed"]
[null,"(=f @ test time/ f @ steady-state)",{"$f":"C24/C22","v":0.49681169502461708},{"$f":"D24/D22","v":0.19108823042163439},{"$f":"E24/E22","v":0.47037641301869287},{"$f":"F24/F22","v":0.48439607875553486},{"$f":"G24/G22","v":0.27559971590678667}]

{"sheet":"Fish Database","index":10,"n_rows":41,"n_cols":34,"rows_kept":41,"cut":false,"hidden":false,"merged":[[1,33,2,33],[1,24,1,31],[1,16,1,23],[1,1,2,1],[1,32,2,32],[1,0,2,0],[1,3,2,3],[1,5,2,5],[1,7,2,7],[1,8,1,15],[1,6,2,6],[1,4,2,4],[1,2,2,2]]}
["Fish properties database"]
["Organism","Organism Latin name","Organism volume (cm3)","Reference","Gill ventilation rate (L/d)","Reference","Cardiac output (cm3/h)","Reference","Volume Fractions",null,null,null,null,null,null,null,"Lipid fractions",null,null,null,null,null,null,null,"% Cardiac output",null,null,null,null,null,null,null,"Blood lipid fraction","Reference"]
[null,null,null,null,null,null,null,null,"Membrane","Reference","Liver","Reference","Richly perfused","Reference","Poorly perfused","Reference","Membrane","Reference","Liver","Reference","Richly perfused","Reference","Poorly perfused","Reference","Membrane","Reference","Liver","Reference","Richly perfused","Reference","Poorly perfused","Reference"]
["Fathead Minnow","Pimephales promelas",0.6,"[1]",1.52,"[3]",1.6459999999999999,"[4]",0.01,"[4][5]",1.2999999999999999E-2,"[2]",7.0000000000000007E-2,"[2]",0.90700000000000003,"[2]",1,"[5]",3.5000000000000003E-2,"[2]",0.03,"[2]",9.5000000000000001E-2,"[1]",7,"-",3,"[2]",25,"[2]",65,"[2]",1.2500000000000001E-2,"[4]"]
["Rainbow Trout","Oncorhynchus mykiss",1000,"[2]",230,"[2]",2070,"[2]",0.01,"[4][5]",1.2999999999999999E-2,"[2]",7.0000000000000007E-2,"[2]",0.90700000000000003,"[2]",1,"[5]",3.5000000000000003E-2,"[2]",0.03,"[2]",0.06,"[2]",7,"-",3,"[2]",25,"[2]",65,"[2]",1.2500000000000001E-2,"[4]"]
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[]
[]
[]
[]
[]
[]
[]
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["References:"]
["[1]","de Maagd P, van de Klundert I, van Wezel A, Opperhuizen A, Sijm D. 1997. Lipid content and time-to-death–dependent lethal body burdens of naphthalene and 1,2,4-trichlorobenzene in fathead minnow (Pimephales promelas).Ecotoxicol Environ Saf 38:232–237."]
["[2]","Nichols JW, McKim JM, Andersen ME, Gargas ML, Clewell HJ III,Erickson RJ. 1990. A physiologically based toxicokinetic model for the uptake and disposition of waterborne organic chemicals in fish.Toxicol Appl Pharmacol 106:433–447."]
["[3]","Arnot J, Gobas F. 2004. A food web bioaccumulation model for organic chemicals in aquatic ecosystems. Environ Toxicol Chem 23:2343–2355."]
["[4]","Krishnan K, Peyret T. 2009. Physiologically-based toxicokinetic (PBTK) modeling in ecotoxicology. In Devillers J, ed, Emerging Topics in Ecotoxicology: Principles, Approaches and Perspectives, Vol 2—Ecotoxicology Modeling. Springer, New York, NY, USA, pp 145–175."]
["[5]","Heijden SS, Hermens JLM, Sinnige TL, Mayer P, Gilbert D, Jonker TO.2015. Determining high-quality critical body residues for multiple species and chemicals by applying improved experimental design and data interpretation concepts. Environ Sci Technol 49:1879–1887."]