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Solid state development and processing of pharmaceutical molecules : salts, cocrystals, and polymorphism /

Bibliographic Details
Main Author: Gruss, Michael (Author)
Format: eBook
Language:English
Published: Weinheim : Wiley-VCH, [2022]
Series:Methods and principles in medicinal chemistry ; v. 79.
Subjects:
Pharmaceutical chemistry.
Solid state chemistry.
Solid dosage forms.
Drug development.
Chemistry, Pharmaceutical
Electronic books.
Online Access:Connect to the full text of this electronic book
Table of Contents:
  • Cover
  • Title Page
  • Copyright
  • Contents
  • Series Editors Preface
  • Preface
  • Chapter 1 Aspects for Developing and Processing Solid Forms
  • 1.1 Aspects for Developing and Processing Solid Forms
  • 1.1.1 Introduction
  • 1.1.2 Education and Personal Background
  • 1.1.3 Societal Impact - Fishing in Foreign Waters
  • 1.1.3.1 Motivation
  • 1.1.3.2 The Personal Dimension
  • 1.1.3.3 Beyond the Impact on Individuals
  • 1.1.3.4 Understanding the Market - Not an Easy Task
  • 1.1.3.5 Benefits of an Interdisciplinary Mindset
  • 1.1.4 The Basis for Mutual Understanding
  • 1.1.5 Crystallization is a Separation, Not a Separated Process
  • 1.1.6 Some Early Information About Solid-state Properties
  • 1.1.7 Digitalization (Not Only) in the Laboratory
  • 1.1.7.1 Prerequisites - Technology and People
  • 1.1.7.2 Connect Data and the Right Information from Synthesis and Analysis
  • 1.1.7.3 Contributions and Choices
  • 1.1.7.4 Application of Digitalization
  • 1.1.7.5 Fully Digitalized Infrastructure
  • 1.1.8 Basic Terms and Concepts in the World of Solid State
  • 1.1.8.1 Crystalline and Amorphous
  • 1.1.8.2 Crystallization and Precipitation
  • 1.1.8.3 Understanding the Phase Diagram - Analytical Characterization of the Solid-Liquid and Solid-Solid Systems
  • 1.1.8.4 Polymorphism
  • 1.1.8.5 Multi-component Compounds - Salt, Cocrystal, Solvate, and Hydrate
  • 1.1.8.6 Solvates, Hydrates, Non-solvated Forms, or Ansolvates
  • 1.1.8.7 Dispersed Primary Particles, Aggregates, and Agglomerates
  • 1.1.8.8 Particle Size and Particle Size Distribution (PSD)
  • 1.1.9 Investigating and Understanding the Polymorphic Landscape
  • 1.1.10 Performing the Crystallization
  • 1.1.11 Objectives for the Optimization of Crystallization Processes and Solid-State Properties
  • 1.1.12 Implementation of In Silico and Simulation Techniques.
  • 1.1.13 Saving the Investment - Addressing Intellectual Property Rights
  • 1.1.14 Concluding Remarks
  • List of Abbreviations
  • References
  • Chapter 2 Determination of Current Knowledge
  • 2.1 Why Is it Important to Search for Relevant Information Before Starting a Solid-State Project?
  • 2.2 Where to Begin a Literature Search for a Solid-State Project?
  • 2.2.1 Literature Search
  • 2.2.1.1 Focusing Your Literature Search
  • 2.2.2 Staying on Top of the Latest Publications
  • 2.3 Patent Search
  • 2.3.1 Types of Patent Reports
  • 2.3.2 Understanding the Elements of Patents
  • 2.3.3 Patent Classification
  • 2.3.4 Patent Databases
  • 2.3.4.1 Free Patent Databases
  • 2.4 Other Useful Resources for Solid-State Projects
  • 2.4.1 Cambridge Structural Database
  • 2.4.2 Crystallography Open Database
  • List of Abbreviations
  • References
  • Chapter 3 Systematic Screening and Investigation of Solid-State Landscapes
  • 3.1 Introduction
  • 3.2 General Aspects of Solid-State Investigations in Early Drug Discovery Phase
  • 3.3 Transition Phase from Late Stage Research to Early Stage Development
  • 3.4 Solid-State Characteristics in Preclinical Formulations
  • 3.5 API-crystallization Strategy in Candidate Profiling Phase
  • 3.6 Selection Criteria of a Suitable Solid Form
  • 3.7 Knowledge Management
  • 3.8 Control of Solid Form Properties in Development
  • 3.9 Exploratory Crystallization Experiments
  • List of Abbreviations
  • References
  • Chapter 4.1 Solid-State Characterization Techniques: Microscopy
  • 4.1.1 Microscopy
  • 4.1.1.1 Optical Microscopy
  • 4.1.1.1.1 Bright-Field Microscopy
  • 4.1.1.1.2 Dark-Field Microscopy
  • 4.1.1.1.3 Polarized Light Microscopy
  • 4.1.1.1.4 Other Optical Microscopy Variants
  • 4.1.1.2 Electron Microscopy
  • 4.1.1.2.1 Scanning Electron Microscopy
  • 4.1.1.2.2 Transmission Electron Microscopy
  • 4.1.1.3 Atomic Force Microscopy.
  • 4.1.1.4 Microscopy in Regulatory Documents
  • List of Abbreviations
  • References
  • Chapter 4.2 Standards and Trends in Analytical Characterization - X-ray Diffraction (XRD)
  • 4.2.1 X-ray Diffraction
  • 4.2.1.1 Introduction
  • 4.2.1.2 Measurement Principles
  • 4.2.1.2.1 The Crystal Lattice
  • 4.2.1.2.2 The Space Group Symmetry
  • 4.2.1.2.3 What Determines a Diffraction Peak
  • 4.2.1.2.4 X-ray Scattering Technics
  • 4.2.2 Technics
  • 4.2.2.1 Single Crystal X-ray Diffraction
  • 4.2.2.2 Powder X-ray Diffraction
  • 4.2.2.2.1 Alternative Methods for Structure Determination
  • 4.2.3 Instrumentation
  • 4.2.3.1 X-ray Sources
  • 4.2.3.2 Diffractometer Geometries
  • 4.2.3.2.1 Reflection Geometry
  • 4.2.3.2.2 Transmission Geometry
  • 4.2.3.2.3 Benchtop Diffractometers
  • 4.2.3.3 Detectors
  • 4.2.3.4 Peak Asymmetry
  • 4.2.3.5 Reproducibility of Diffraction Patterns: The Texture Effect (Preferred Orientation)
  • 4.2.3.6 Databases of Known Diffraction Patterns
  • 4.2.4 Measurement
  • 4.2.4.1 Instrument Calibration
  • 4.2.4.2 Sample Preparation
  • 4.2.5 Data Evaluation
  • 4.2.5.1 Qualitative Phase Analysis
  • 4.2.5.1.1 Phase Identification or Identity Check
  • 4.2.5.1.2 Amorphous Content
  • 4.2.5.2 Quantification
  • 4.2.5.2.1 Based on Calibration Curve
  • 4.2.5.2.2 Based on Internal Standard Addition
  • 4.2.5.2.3 Based on Rietveld Refinement
  • 4.2.5.3 Advanced Phase Analysis
  • List of Abbreviations
  • References
  • Further Reading
  • Chapter 4.3 Standards and Trends in Solid-State Characterization Techniques - Thermal Analysis
  • 4.3.1 Introduction
  • 4.3.2 Thermal Analysis in Drug Development
  • 4.3.2.1 Solid form Landscape
  • 4.3.2.2 Compatibility Studies
  • 4.3.2.3 Other Applications
  • 4.3.3 Methods
  • 4.3.3.1 Differential Scanning Calorimetry
  • 4.3.3.1.1 Techniques
  • 4.3.3.1.2 Sample Preparation and Measuring Parameters
  • 4.3.3.1.3 Evaluation.
  • 4.3.3.1.4 Special Applications
  • 4.3.3.1.5 Detection Limits
  • 4.3.3.2 Thermogravimetric Analysis
  • 4.3.3.2.1 Technique
  • 4.3.3.2.2 Sample Preparation and Measuring Parameters
  • 4.3.3.2.3 Evaluation
  • 4.3.3.2.4 Special Applications
  • 4.3.4 Case Studies
  • 4.3.4.1 Understanding Polymorphic Transitions
  • 4.3.4.2 The Power of Ultra-fast Heating Rates
  • 4.3.4.3 Understanding Amorphous Phases
  • 4.3.4.4 Identification of Solvate Structures
  • 4.3.5 Quality and Regulatory Aspects
  • 4.3.6 Outlook
  • Acknowledgments
  • List of Abbreviations
  • Notes
  • References
  • Chapter 4.4 Standards and Trends in Solid-State Characterization Techniques: Infrared (IR) Spectroscopy
  • 4.4.1 Infrared (IR) Spectroscopy
  • 4.4.1.1 Introduction
  • 4.4.1.2 IR Spectroscopy as Identity Method for Drug Substances
  • 4.4.1.2.1 Transmission Mode
  • 4.4.1.2.2 Attenuated Total Reflectance (ATR)
  • 4.4.1.2.3 Sample preparation
  • 4.4.1.2.4 Analysis and Reporting
  • 4.4.1.2.5 Examples and Limitations
  • 4.4.1.2.6 Method Validation of IR Spectroscopy Identification and Quantification Methods
  • 4.4.1.3 Application of IR Microscopy-Imaging Methods in Drug Development
  • 4.4.1.3.1 Spatial Resolution
  • 4.4.1.3.2 Measurement Setups
  • 4.4.1.3.3 Case Studies
  • 4.4.1.4 Conclusion
  • List of Abbreviations
  • References
  • Chapter 4.5 Transmission Raman Spectroscopy - Implementation in Pharmaceutical Quality Control
  • 4.5.1 Raman Spectroscopy - From Research to Broad Applications in Industry
  • 4.5.1.1 Objective
  • 4.5.1.1.1 History
  • 4.5.1.1.2 Introduction
  • 4.5.1.1.3 The Raman Effect
  • 4.5.2 Analytical use of Raman Spectroscopy for Pharmaceutical Purposes
  • 4.5.2.1 Transmission Raman Spectroscopy (TRS)
  • 4.5.2.1.1 Principles of Transmission Raman Spectroscopy
  • 4.5.2.1.2 A Practical Guide to a Successful Business Case.