function [VOI, STATES, ALGEBRAIC, CONSTANTS] = mainFunction() % This is the "main function". In Matlab, things work best if you rename this function to match the filename. [VOI, STATES, ALGEBRAIC, CONSTANTS] = solveModel(); end function [algebraicVariableCount] = getAlgebraicVariableCount() % Used later when setting a global variable with the number of algebraic variables. % Note: This is not the "main method". algebraicVariableCount =13; end % There are a total of 8 entries in each of the rate and state variable arrays. % There are a total of 25 entries in the constant variable array. % function [VOI, STATES, ALGEBRAIC, CONSTANTS] = solveModel() % Create ALGEBRAIC of correct size global algebraicVariableCount; algebraicVariableCount = getAlgebraicVariableCount(); % Initialise constants and state variables [INIT_STATES, CONSTANTS] = initConsts; % Set timespan to solve over tspan = [0, 10]; % Set numerical accuracy options for ODE solver options = odeset('RelTol', 1e-06, 'AbsTol', 1e-06, 'MaxStep', 1); % Solve model with ODE solver [VOI, STATES] = ode15s(@(VOI, STATES)computeRates(VOI, STATES, CONSTANTS), tspan, INIT_STATES, options); % Compute algebraic variables [RATES, ALGEBRAIC] = computeRates(VOI, STATES, CONSTANTS); ALGEBRAIC = computeAlgebraic(ALGEBRAIC, CONSTANTS, STATES, VOI); % Plot state variables against variable of integration [LEGEND_STATES, LEGEND_ALGEBRAIC, LEGEND_VOI, LEGEND_CONSTANTS] = createLegends(); figure(); plot(VOI, STATES); xlabel(LEGEND_VOI); l = legend(LEGEND_STATES); set(l,'Interpreter','none'); end function [LEGEND_STATES, LEGEND_ALGEBRAIC, LEGEND_VOI, LEGEND_CONSTANTS] = createLegends() LEGEND_STATES = ''; LEGEND_ALGEBRAIC = ''; LEGEND_VOI = ''; LEGEND_CONSTANTS = ''; LEGEND_VOI = strpad('time in component environment (second)'); LEGEND_STATES(:,1) = strpad('Pyr in component Pyr (micromolar)'); LEGEND_CONSTANTS(:,25) = strpad('v1 in component v1 (micromolar_per_second)'); LEGEND_ALGEBRAIC(:,1) = strpad('v2 in component v2 (micromolar_per_second)'); LEGEND_ALGEBRAIC(:,6) = strpad('v7 in component v7 (micromolar_per_second)'); LEGEND_STATES(:,2) = strpad('AcCoA in component AcCoA (micromolar)'); LEGEND_ALGEBRAIC(:,2) = strpad('v3 in component v3 (micromolar_per_second)'); LEGEND_STATES(:,3) = strpad('Cit in component Cit (micromolar)'); LEGEND_ALGEBRAIC(:,3) = strpad('v4 in component v4 (micromolar_per_second)'); LEGEND_STATES(:,4) = strpad('KG in component KG (micromolar)'); LEGEND_ALGEBRAIC(:,4) = strpad('v5 in component v5 (micromolar_per_second)'); LEGEND_ALGEBRAIC(:,5) = strpad('v6 in component v6 (micromolar_per_second)'); LEGEND_STATES(:,5) = strpad('OAA in component OAA (micromolar)'); LEGEND_ALGEBRAIC(:,7) = strpad('v8 in component v8 (micromolar_per_second)'); LEGEND_STATES(:,6) = strpad('NAD in component NAD (micromolar)'); LEGEND_ALGEBRAIC(:,10) = strpad('vresp in component vresp (micromolar_per_second)'); LEGEND_STATES(:,7) = strpad('ATP in component ATP (micromolar)'); LEGEND_ALGEBRAIC(:,13) = strpad('vATP in component vATP (micromolar_per_second)'); LEGEND_ALGEBRAIC(:,8) = strpad('vANT in component vANT (micromolar_per_second)'); LEGEND_STATES(:,8) = strpad('delta_psi in component delta_psi (millivolt)'); LEGEND_CONSTANTS(:,1) = strpad('C in component delta_psi (millimolar_per_millivolt)'); LEGEND_ALGEBRAIC(:,9) = strpad('vleak in component vleak (micromolar_per_second)'); LEGEND_CONSTANTS(:,2) = strpad('k1 in component v1 (micromolar_per_second)'); LEGEND_CONSTANTS(:,3) = strpad('k2 in component v2 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,4) = strpad('k3 in component v3 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,5) = strpad('k4 in component v4 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,6) = strpad('k5 in component v5 (third_order_rate_constant)'); LEGEND_CONSTANTS(:,7) = strpad('At in component model_parameters (millimolar)'); LEGEND_CONSTANTS(:,8) = strpad('k6 in component v6 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,9) = strpad('k7 in component v7 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,10) = strpad('k8 in component v8 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,11) = strpad('kANT in component vANT (first_order_rate_constant)'); LEGEND_CONSTANTS(:,12) = strpad('kleak in component vleak (molar_per_millivolt_per_second)'); LEGEND_CONSTANTS(:,13) = strpad('kresp in component vresp (millimolar_per_second)'); LEGEND_CONSTANTS(:,14) = strpad('K in component vresp (millimolar)'); LEGEND_CONSTANTS(:,15) = strpad('a in component vresp (per_millivolt)'); LEGEND_CONSTANTS(:,16) = strpad('delta_psi_m in component vresp (millivolt)'); LEGEND_CONSTANTS(:,17) = strpad('Nt in component model_parameters (millimolar)'); LEGEND_CONSTANTS(:,18) = strpad('kATP in component vATP (millimolar_per_second)'); LEGEND_CONSTANTS(:,19) = strpad('b in component vATP (per_micromolar)'); LEGEND_ALGEBRAIC(:,12) = strpad('ATP_crit_delta_psi in component ATP_crit_delta_psi (micromolar)'); LEGEND_CONSTANTS(:,20) = strpad('R in component ATP_crit_delta_psi (joule_per_mole_kelvin)'); LEGEND_CONSTANTS(:,21) = strpad('T in component ATP_crit_delta_psi (kelvin)'); LEGEND_CONSTANTS(:,22) = strpad('F in component ATP_crit_delta_psi (coulomb_per_mole)'); LEGEND_CONSTANTS(:,23) = strpad('Kapp in component ATP_crit_delta_psi (per_millimolar)'); LEGEND_CONSTANTS(:,24) = strpad('Pi in component ATP_crit_delta_psi (millimolar)'); LEGEND_ALGEBRAIC(:,11) = strpad('delta_G_transport in component ATP_crit_delta_psi (joule_per_mole)'); LEGEND_RATES(:,1) = strpad('d/dt Pyr in component Pyr (micromolar)'); LEGEND_RATES(:,2) = strpad('d/dt AcCoA in component AcCoA (micromolar)'); LEGEND_RATES(:,3) = strpad('d/dt Cit in component Cit (micromolar)'); LEGEND_RATES(:,4) = strpad('d/dt KG in component KG (micromolar)'); LEGEND_RATES(:,5) = strpad('d/dt OAA in component OAA (micromolar)'); LEGEND_RATES(:,6) = strpad('d/dt NAD in component NAD (micromolar)'); LEGEND_RATES(:,7) = strpad('d/dt ATP in component ATP (micromolar)'); LEGEND_RATES(:,8) = strpad('d/dt delta_psi in component delta_psi (millivolt)'); LEGEND_STATES = LEGEND_STATES'; LEGEND_ALGEBRAIC = LEGEND_ALGEBRAIC'; LEGEND_RATES = LEGEND_RATES'; LEGEND_CONSTANTS = LEGEND_CONSTANTS'; end function [STATES, CONSTANTS] = initConsts() VOI = 0; CONSTANTS = []; STATES = []; ALGEBRAIC = []; STATES(:,1) = 0.154; STATES(:,2) = 0.063; STATES(:,3) = 0.44; STATES(:,4) = 0.225; STATES(:,5) = 0.005; STATES(:,6) = 0.856; STATES(:,7) = 3.536; STATES(:,8) = 150.0; CONSTANTS(:,1) = 6.75e-06; CONSTANTS(:,2) = 38.0; CONSTANTS(:,3) = 152.0; CONSTANTS(:,4) = 57142.0; CONSTANTS(:,5) = 53.0; CONSTANTS(:,6) = 82361.0; CONSTANTS(:,7) = 4.160; CONSTANTS(:,8) = 3.2e-3; CONSTANTS(:,9) = 40.0; CONSTANTS(:,10) = 3.6; CONSTANTS(:,11) = 0.1; CONSTANTS(:,12) = 0.426; CONSTANTS(:,13) = 2.5; CONSTANTS(:,14) = 2; CONSTANTS(:,15) = 0.1; CONSTANTS(:,16) = 150.0; CONSTANTS(:,17) = 1.070; CONSTANTS(:,18) = 131.9; CONSTANTS(:,19) = 4; CONSTANTS(:,20) = 8.314; CONSTANTS(:,21) = 298; CONSTANTS(:,22) = 96485; CONSTANTS(:,23) = 4.4e-6; CONSTANTS(:,24) = 2.440; CONSTANTS(:,25) = CONSTANTS(:,2); if (isempty(STATES)), warning('Initial values for states not set');, end end function [RATES, ALGEBRAIC] = computeRates(VOI, STATES, CONSTANTS) global algebraicVariableCount; statesSize = size(STATES); statesColumnCount = statesSize(2); if ( statesColumnCount == 1) STATES = STATES'; ALGEBRAIC = zeros(1, algebraicVariableCount); utilOnes = 1; else statesRowCount = statesSize(1); ALGEBRAIC = zeros(statesRowCount, algebraicVariableCount); RATES = zeros(statesRowCount, statesColumnCount); utilOnes = ones(statesRowCount, 1); end ALGEBRAIC(:,1) = CONSTANTS(:,3).*STATES(:,1).*STATES(:,6); ALGEBRAIC(:,2) = CONSTANTS(:,4).*STATES(:,5).*STATES(:,2); RATES(:,2) = ALGEBRAIC(:,1) - ALGEBRAIC(:,2); ALGEBRAIC(:,3) = CONSTANTS(:,5).*STATES(:,3).*STATES(:,6); RATES(:,3) = ALGEBRAIC(:,2) - ALGEBRAIC(:,3); ALGEBRAIC(:,4) = CONSTANTS(:,6).*STATES(:,4).*STATES(:,6).*(CONSTANTS(:,7) - STATES(:,7)); ALGEBRAIC(:,5) = CONSTANTS(:,8).*(STATES(:,5) - STATES(:,4)); RATES(:,4) = (ALGEBRAIC(:,3)+ALGEBRAIC(:,5)) - ALGEBRAIC(:,4); ALGEBRAIC(:,6) = CONSTANTS(:,9).*STATES(:,1).*STATES(:,7); RATES(:,1) = CONSTANTS(:,25) - (ALGEBRAIC(:,1)+ALGEBRAIC(:,6)); ALGEBRAIC(:,7) = CONSTANTS(:,10).*STATES(:,5); RATES(:,5) = (ALGEBRAIC(:,4)+ALGEBRAIC(:,6)) - (ALGEBRAIC(:,2)+ALGEBRAIC(:,7)+ALGEBRAIC(:,5)); ALGEBRAIC(:,10) = CONSTANTS(:,13).*((CONSTANTS(:,17) - STATES(:,6))./((CONSTANTS(:,14)+CONSTANTS(:,17)) - STATES(:,6))).*(1.00000./(1.00000+exp( CONSTANTS(:,15).*(STATES(:,8) - CONSTANTS(:,16))))); RATES(:,6) = ALGEBRAIC(:,10) - (ALGEBRAIC(:,1)+ALGEBRAIC(:,3)+ 2.00000.*ALGEBRAIC(:,4)); ALGEBRAIC(:,11) = 0.00120000.*CONSTANTS(:,22).*STATES(:,8); ALGEBRAIC(:,12) = CONSTANTS(:,7)./(1.00000+exp(( -3.00000.*ALGEBRAIC(:,11))./( CONSTANTS(:,20).*CONSTANTS(:,21)))./( CONSTANTS(:,23).*CONSTANTS(:,24))); ALGEBRAIC(:,13) = CONSTANTS(:,18).*(2.00000./(1.00000+exp( CONSTANTS(:,19).*(STATES(:,7) - ALGEBRAIC(:,12)))) - 1.00000); ALGEBRAIC(:,8) = CONSTANTS(:,11).*STATES(:,7); RATES(:,7) = (ALGEBRAIC(:,13)+ALGEBRAIC(:,4)) - (ALGEBRAIC(:,8)+ALGEBRAIC(:,6)); ALGEBRAIC(:,9) = CONSTANTS(:,12).*STATES(:,8); RATES(:,8) = (1.00000./CONSTANTS(:,1)).*( 10.0000.*ALGEBRAIC(:,10) - ( 3.00000.*ALGEBRAIC(:,13)+ALGEBRAIC(:,9)+ALGEBRAIC(:,8))); RATES = RATES'; end % Calculate algebraic variables function ALGEBRAIC = computeAlgebraic(ALGEBRAIC, CONSTANTS, STATES, VOI) statesSize = size(STATES); statesColumnCount = statesSize(2); if ( statesColumnCount == 1) STATES = STATES'; utilOnes = 1; else statesRowCount = statesSize(1); utilOnes = ones(statesRowCount, 1); end ALGEBRAIC(:,1) = CONSTANTS(:,3).*STATES(:,1).*STATES(:,6); ALGEBRAIC(:,2) = CONSTANTS(:,4).*STATES(:,5).*STATES(:,2); ALGEBRAIC(:,3) = CONSTANTS(:,5).*STATES(:,3).*STATES(:,6); ALGEBRAIC(:,4) = CONSTANTS(:,6).*STATES(:,4).*STATES(:,6).*(CONSTANTS(:,7) - STATES(:,7)); ALGEBRAIC(:,5) = CONSTANTS(:,8).*(STATES(:,5) - STATES(:,4)); ALGEBRAIC(:,6) = CONSTANTS(:,9).*STATES(:,1).*STATES(:,7); ALGEBRAIC(:,7) = CONSTANTS(:,10).*STATES(:,5); ALGEBRAIC(:,10) = CONSTANTS(:,13).*((CONSTANTS(:,17) - STATES(:,6))./((CONSTANTS(:,14)+CONSTANTS(:,17)) - STATES(:,6))).*(1.00000./(1.00000+exp( CONSTANTS(:,15).*(STATES(:,8) - CONSTANTS(:,16))))); ALGEBRAIC(:,11) = 0.00120000.*CONSTANTS(:,22).*STATES(:,8); ALGEBRAIC(:,12) = CONSTANTS(:,7)./(1.00000+exp(( -3.00000.*ALGEBRAIC(:,11))./( CONSTANTS(:,20).*CONSTANTS(:,21)))./( CONSTANTS(:,23).*CONSTANTS(:,24))); ALGEBRAIC(:,13) = CONSTANTS(:,18).*(2.00000./(1.00000+exp( CONSTANTS(:,19).*(STATES(:,7) - ALGEBRAIC(:,12)))) - 1.00000); ALGEBRAIC(:,8) = CONSTANTS(:,11).*STATES(:,7); ALGEBRAIC(:,9) = CONSTANTS(:,12).*STATES(:,8); end % Pad out or shorten strings to a set length function strout = strpad(strin) req_length = 160; insize = size(strin,2); if insize > req_length strout = strin(1:req_length); else strout = [strin, blanks(req_length - insize)]; end end