ThermalAnalysisDSC_TGAQualityChecker

Thermal Analysis DSC/TGA Quality Checker — Thermal Analysis (DSC/TGA)

ℹ️  Utility assesses thermal properties of pharmaceutical substances using Differential Scanning Calorimetry (DSC) and Thermogravimetric Analysis (TGA):
     • Melting Onset and Peak Temperature — criteria for identity and purity
     • Enthalpy of Fusion (ΔH) — indicator of crystallinity degree and energy stability
     • Thermal Decomposition Onset (TGA Onset) — thermal stability limit
     • Mass Loss on Heating (LOD) — moisture or volatile solvent content
     • Residue after Ignition (Ash) — inorganic impurity content
     • Polymorphic form identification by thermal profile

⚠️  CRITICAL: Shift in melting temperature or change in enthalpy may indicate impurities, solvates, or polymorph change!
     Polymorphism critically affects drug solubility and bioavailability.

Usage:
  ThermalAnalysisDSC_TGAQualityChecker.exe                            → demo mode (console output)
  ThermalAnalysisDSC_TGAQualityChecker.exe input.csv output.json      → evaluate your data

Input format:
BatchNumber,ProductName,DSC_OnsetTemp_C,DSC_PeakTemp_C,DSC_Entalpy_Jg,TGA_OnsetDecomp_C,TGA_WeightLossPercent_105C,TGA_ResiduePercent_600C,PolymorphForm

Example:
  TA-2026-API-001,Carbamazepine,189.5,191.2,145.0,210.0,0.15,0.05,Form III

— WHY IS THIS NEEDED?
Thermal analysis is a key tool for characterizing the solid state of a substance.
It allows distinguishing amorphous form from crystalline, identifying polymorphs, detecting solvates, and assessing thermal stability of drying or sterilization processes.

⚠️  CRITICAL:
• DSC Onset/Peak: Must match reference standard within ±1-2°C.
• Enthalpy: Decrease in enthalpy may indicate reduced crystallinity (amorphization).
• TGA Onset: Substance must not decompose at processing temperatures (e.g., during granulation).
• Mass Loss: Sharp mass loss before melting point often indicates presence of solvate (pseudopolymorph).
• Polymorphism: Different forms have different melting points and enthalpies. Wrong form can lead to batch recall.

Key features:
• Comprehensive analysis of DSC and TGA data
• Control of polymorphic purity
• Assessment of thermal stability and volatiles
• Generation of reports for regulatory dossiers and LIMS LabWare
• Compliance with USP <891> and Ph. Eur. 2.2.34 / 2.2.35

Critical parameters:
• DSC Onset: within specification (e.g., 188-192°C)
• DSC Peak: within specification
• Enthalpy: ≥ specified minimum (e.g., 130 J/g)
• TGA Onset Decomposition: ≥ specified minimum
• Mass Loss (105°C): ≤ 0.5% (example)
• Residue (600°C): ≤ 0.1%
• Polymorphic Form: Strict compliance (e.g., Form III)

💡 Usage tips:
1. Calibration: Instrument must be calibrated with indium, tin, and zinc before measurement series.
2. Heating Rate: Standard rate 10°C/min. Deviations affect peak temperature.
3. Atmosphere: Use nitrogen or argon to prevent sample oxidation.
4. Sample Mass: Usually 2-10 mg. Too large mass worsens heat transfer.
5. Interpretation: Broad endothermic peak may indicate mixture of polymorphs or amorphous phase.

⚠️ Note: DSC and TGA are often used together. DSC shows phase transitions (melting, glass transition), while TGA confirms whether the transition is accompanied by mass loss (evaporation, decomposition) or not.