InitalCommit

2025-11-16 10:30:26 +01:00
parent 8b0b73bba8
commit d2e409d10f
73 changed files with 3209 additions and 0 deletions
@@ -0,0 +1,42 @@
+using System;
+using System.Collections.Generic;
+using System.Linq;
+using System.Text;
+using System.Threading.Tasks;
+
+namespace BaseCellSimulation.Enzyms.Membrane.GLUT
+{
+    public class GLUT1 : MembranEnzyme
+    {
+        public GLUT1()
+        {
+            Km = 1.5; // Example Km value in mM
+            Vmax = 0.5; 
+
+            KmRange = new(1.0, 3.0);
+            VmaxRange = new(0.1, 10.0);
+        }
+
+        public override void ApplyChanges(CellRessources res, double dt)
+        {
+            double flux = Math.Min(res.Env.Glucose, rate * dt);
+            res.Env.Glucose -= flux;
+            res.Res.Carbon.Glucose += flux;
+        }
+
+        public override double CalculateGradient(CellRessources res)
+        {
+            return res.Env.Glucose - res.Res.Carbon.Glucose;
+        }
+
+        public override void ComputeRate(double gradient, EnviromentState Env)
+        {
+            if (gradient <= 0) 
+            {
+                rate = 0;
+                return;
+            }
+            Michaelis_Menten(gradient);
+        }
+    }
+}
@@ -0,0 +1,21 @@
+using System;
+using System.Collections.Generic;
+using System.Linq;
+using System.Text;
+using System.Threading.Tasks;
+
+namespace BaseCellSimulation.Enzyms.Membrane.GLUT
+{
+    public class GLUT2 : GLUT1
+    {
+        public GLUT2()
+        {
+            Km = 17.0; // Example Km value in mM
+            Vmax = 1.2;
+
+            KmRange = new(15.0, 20.0);
+            VmaxRange = new(1.0, 50.0);
+        }
+
+    }
+}
@@ -0,0 +1,20 @@
+using System;
+using System.Collections.Generic;
+using System.Linq;
+using System.Text;
+using System.Threading.Tasks;
+
+namespace BaseCellSimulation.Enzyms.Membrane.GLUT
+{
+    public class GLUT3 : GLUT1
+    {
+        public GLUT3()
+        {
+            Km = 1.0; 
+            Vmax = 0.8; 
+
+            KmRange = new(0.3, 1.0);
+            VmaxRange = new(0.5, 20.0);
+        }
+    }
+}
@@ -0,0 +1,36 @@
+using System;
+using System.Collections.Generic;
+using System.Linq;
+using System.Text;
+using System.Threading.Tasks;
+
+namespace BaseCellSimulation.Enzyms.Membrane.GLUT
+{
+    public class GLUT4 : GLUT1
+    {
+        public GLUT4()
+        {
+            Km = 5.0; // Example Km value in mM for GLUT4
+            Vmax = 0.6; // Higher Vmax for GLUT4
+            ActivationThreshold = 0.3; // Example threshold for insulin activation
+
+            KmRange = new(4.0, 6.0);
+            VmaxRange = new(0.2, 15.0);
+        }
+
+        public double ActivationThreshold { get; set; }
+
+        public override void ComputeRate(double gradient, EnviromentState Env)
+        {
+            if (gradient <= 0)
+            {
+                rate = 0;
+                return;
+            }
+            // GLUT4 is insulin-responsive, so we can add an insulin factor
+            double insulinFactor = 0.5 * (Math.Tanh((Env.Insulin - ActivationThreshold) / 0.1) + 1.0); // Example: insulin increases rate up to 3x
+            Michaelis_Menten(gradient);
+            rate *= insulinFactor;
+        }
+    }
+}
@@ -0,0 +1,30 @@
+using System;
+using System.Collections.Generic;
+using System.Linq;
+using System.Text;
+using System.Threading.Tasks;
+
+namespace BaseCellSimulation.Enzyms.Membrane
+{
+    public class KLeakChannel : MembranEnzyme
+    {
+        public double Permeability = 0.01; // 1/s, diffusionsbasiert
+
+        public override void ComputeRate(double gradient, EnviromentState env)
+        {
+            rate = Permeability * gradient;
+        }
+
+        public override void ApplyChanges(CellRessources res, double dt)
+        {
+            double flux = rate * dt;
+            res.Res.Ions.K -= flux; // aus der Zelle raus
+            res.Env.K += flux;
+        }
+
+        public override double CalculateGradient(CellRessources res)
+        {
+            return res.Res.Ions.K - res.Env.K;
+        }
+    }
+}
@@ -0,0 +1,39 @@
+using System;
+using System.Collections.Generic;
+using System.Linq;
+using System.Text;
+using System.Threading.Tasks;
+
+namespace BaseCellSimulation.Enzyms.Membrane
+{
+    public class MCT : MembranEnzyme
+    {
+        
+        public override double CalculateGradient(CellRessources res)
+        {
+            double hGradient = Math.Pow(10, -res.pH_in) / Math.Pow(10, -res.pH_ext);
+            return res.Res.Carbon.Lactate - res.Env.Lactate * hGradient;   
+        }
+
+        public override void ComputeRate(double Gradient, EnviromentState env)
+        {
+            if (Gradient <= 0)
+            {
+                rate = 0;
+                return;
+            }
+
+            Michaelis_Menten(Gradient);
+        }
+
+        public override void ApplyChanges(CellRessources res, double dt)
+        {
+            double flux = rate * dt;
+
+            res.Res.Carbon.Lactate -= flux; // Laktat raus
+            res.Env.Lactate        += flux;
+            res.Res.Ions.Protons   -= flux;             // Protonen raus (Symport)
+            res.Env.Protons        += flux;
+        }
+    }
+}
@@ -0,0 +1,55 @@
+using System;
+using System.Collections.Generic;
+using System.Linq;
+using System.Text;
+using System.Threading.Tasks;
+
+namespace BaseCellSimulation.Enzyms.Membrane
+{
+    /// <summary>
+    /// Na+/Ca2+ Exchanger (3 Na⁺ in / 1 Ca²⁺ out)
+    /// Einfaches Michaelis-Menten-basiertes Modell mit Gradienten
+    /// </summary>
+    public class NCX : MembranEnzyme
+    {
+        public double NaStoich = 3.0; // Na⁺ pro Ca²⁺
+        public double CaStoich = 1.0;
+
+        /// <summary>
+        /// Berechnet die Transport-Rate abhängig von zellinternen und externen Ionenkonzentrationen
+        /// </summary>
+        public override void ComputeRate(double gradient, EnviromentState env)
+        {
+
+            // Michaelis-Menten-ähnliche Sättigung
+            rate = Vmax * gradient / (Km + Math.Abs(gradient));
+        }
+
+        /// <summary>
+        /// Wendet den Transport auf die Zellressourcen an
+        /// </summary>
+        public override void ApplyChanges(CellRessources res, double dt)
+        {
+            double flux = rate * dt;
+
+            // Na+ in die Zelle
+            res.Res.Ions.Na += NaStoich * flux;
+            res.Env.Na -= NaStoich * flux;
+
+            // Ca2+ aus der Zelle
+            res.Res.Ca.CytosolicCa -= CaStoich * flux;
+            res.Env.Ca += CaStoich * flux;
+
+        }
+
+        public override double CalculateGradient(CellRessources res)
+        {
+            // Gradienten: innen - außen
+            double naGradient = res.Res.Ions.Na - res.Env.Na;       // mM
+            double caGradient = res.Res.Ca.CytosolicCa - res.Env.Ca;       // mM
+
+            // Richtung: positiv = Ca raus / Na rein
+            return (naGradient / NaStoich) - (caGradient / CaStoich);
+        }
+    }
+}
@@ -0,0 +1,43 @@
+using System;
+using System.Collections.Generic;
+using System.Linq;
+using System.Text;
+using System.Threading.Tasks;
+
+namespace BaseCellSimulation.Enzyms.Membrane
+{
+    public class NaK_ATPase : MembranEnzyme
+    {
+        public double ATPperCycle = 1.0;
+        public double NaOutStoich = 3.0;
+        public double KInStoich = 2.0;
+
+        public override void ComputeRate(double gradient, EnviromentState env)
+        {
+            
+            // niedriger Gradient → höhere Rate
+            double effective = 1.0 / (1.0 + gradient);
+            rate = Vmax * effective;
+        }
+
+        public override void ApplyChanges(CellRessources res, double dt)
+        {
+            double flux = rate * dt;
+
+            // Verbrauch von ATP
+            double atpNeeded = flux * ATPperCycle;
+            if (res.Res.Energy.ATP < atpNeeded) flux *= res.Res.Energy.ATP / atpNeeded;
+
+            res.Res.Ions.Na -= NaOutStoich * flux;   // Na raus
+            res.Res.Ions.K += KInStoich * flux;      // K rein
+            res.Env.Na += NaOutStoich * flux;
+            res.Env.K -= KInStoich * flux;
+            res.ConsumeATP(atpNeeded);
+        }
+
+        public override double CalculateGradient(CellRessources res)
+        {
+            return (res.Res.Ions.Na / res.Env.Na) * (res.Env.K / res.Res.Ions.K);
+        }
+    }
+}
@@ -0,0 +1,39 @@
+using System;
+using System.Collections.Generic;
+using System.Linq;
+using System.Text;
+using System.Threading.Tasks;
+
+namespace BaseCellSimulation.Enzyms.Membrane
+{
+    // ----------------------------------------------------------
+    // 3. PMCA – Ca²⁺-ATPase (Ca raus, ATP-abhängig)
+    // ----------------------------------------------------------
+    public class PMCA : MembranEnzyme
+    {
+        public double ATPperCycle = 1.0;
+
+        public override void ComputeRate(double caCyt, EnviromentState env)
+        {
+            // klassisch: Michaelis-Menten mit Ca²⁺-Abhängigkeit
+            rate = Michaelis_Menten(caCyt, Vmax, Km);
+        }
+
+        public override void ApplyChanges(CellRessources res, double dt)
+        {
+            double flux = rate * dt;
+            double atpNeeded = flux * ATPperCycle;
+
+            if (res.Res.Energy.ATP < atpNeeded) flux *= res.Res.Energy.ATP / atpNeeded;
+
+            res.Res.Ca.CytosolicCa -= flux;    // Ca raus
+            res.Env.Ca += flux;
+            res.ConsumeATP(atpNeeded);
+        }
+
+        public override double CalculateGradient(CellRessources res)
+        {
+            return res.Res.Ca.CytosolicCa; // PMCA is not driven by a concentration gradient
+        }
+    }
+}