APPLICATION NOTE

XRPD Quantification of Crystalline Forms in Amorphous API Formulations

Detection and quantification of unwanted crystallization in amorphous solid dispersions

Method: Quantitative XRPD
Sample Type: Amorphous solid dispersion
Application: Stability & batch release
LOQ: ~1% wt crystallinity

Summary

Amorphous formulations are used to enhance bioavailability of poorly water-soluble APIs. However, amorphous forms are thermodynamically unstable and may crystallize during processing or storage, posing significant risk for product performance.

This application note demonstrates development and validation of an XRPD method to quantify low levels of crystalline forms within amorphous API formulations. The study addressed a cholesterol-lowering drug where differential XRPD analysis detected unwanted crystallization during the granulation step. Even small amounts of crystalline API can initiate further recrystallization, making sensitive quantification essential.

Key Achievement: Developed and validated XRPD quantification method with LOQ = 2% wt for crystalline API in amorphous formulation. Method used single-peak marker approach with 7 concentration levels. Correlation found between crystalline content and specific process parameter, enabling process optimization.

Background & Challenge

Why Amorphous Formulations?

Advantages of ASDs:

The Crystallization Risk

Why XRPD is Essential: XRPD is the most direct and sensitive method for detecting crystalline material in amorphous matrices. Even 1-2% crystallinity can indicate instability and predict future product failure.

Methods & Experimental Design

Sample Information

Drug product: Cholesterol-lowering formulation

API state (design): Amorphous

Problem detected: During granulation step, amorphous API partially converts to crystalline form

XRPD Measurement

Instrument Parameters

  • X-ray sourceCu Kα
  • InstrumentLaboratory XRPD at DANNALAB
  • Angular Range0-40 deg 2θ

Method Development

Approach: Single-peak marker method using differential XRPD

Calibration: 7 concentration levels of crystalline API in amorphous formulation

Analysis: Peak deconvolution to extract integral intensities

Regression: Linear calibration curve built over concentration range

Results Example: Batch Testing

Batch A (Fresh)

< 1% crystalline

Below LOQ — Pass

Batch B (3 months, 25°C)

< 1% crystalline

Stable — Pass

Batch C (6 months, 40°C)

2.3 ± 0.3% crystalline

Within spec — Pass

Batch D (Failed control)

8.5% crystalline

Out of spec — Fail

XRPD detection of crystalline API in amorphous formulation

Figure 1. XRPD patterns showing quantification of crystalline API content in amorphous solid dispersion formulation. Calibration samples at different crystalline levels (black, teal, red curves) enable precise quantification down to LOQ of 2% wt for stability and batch release testing.

Stability Insight

Batch C shows onset of crystallization under accelerated conditions (40°C/75% RH, 6 months) with 2.3% crystalline API detected. While still within specification, this indicates potential stability concern. Real-time stability monitoring recommended.

Conclusion

The quantification of crystalline content in amorphous API formulations is critical for stability and product quality. This application note demonstrates development and validation of XRPD quantification methods with LOQ of 2% wt, suitable for monitoring crystallization in amorphous solid dispersions and other formulations where the API is intended to remain amorphous.

Related Application Notes

Conference Poster

Download: Crystallinity Determination by XRD, NIRS, DSC (PDF)

Work performed in cooperation with industrial partner.

  • Stability prediction: Accelerated studies to predict shelf life
  • Root cause analysis: Investigate batch failures
  • Applications Beyond ASDs

    This methodology applies to:

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