How spectroscopy and materials characterization tools work within drug development

Thermo Fisher Scientific provides an extensive range of spectroscopy instruments and software, extrusion and rheological tools and service and support.

This allows pharmaceutical labs to secure quality and product safety while complying with regulatory standards throughout the drug development and formulation processes.

Chemical and biological must meet rigorous quality and regulatory requirements in order to develop drugs that are safe.

The Thermo Scientific spectroscopic and extrusion portfolio promotes the research work and facilitates quality and regulatory compliance throughout the drug formulation, development and manufacturing processes.

Thermo Scientific’s experienced team functions as a pharmaceutical lab partner to always assist its customer’s efforts. This is made possible due to the available selection of advanced spectrophotometers and software to guarantee compliance with the latest regulatory requirements.

In addition to spectroscopy and materials characterization tools, Thermo Scientific offers solutions in:

  • Bioproduction
  • Chromatography and mass spectrometry
  • Assays, media and other consumables for drug discovery research
  • Services and support for drug development, clinical trial logistics, commercial manufacturing • Clinical research

A comprehensive array of instruments

Thermo Scientific’s extensive portfolio includes X-ray plasmon spectroscopy (XPS), energy-dispersive spectroscopy (EDS), Raman, Fourier-transform infrared (FTIR), near-infrared (NIR), X-ray diffraction (XRD), rheometers and ultraviolet-visible (UV-Vis) spectroscopy.

Using advanced and innovative instruments, customers are guaranteed quality control across all steps and phases of the workflow, supplying drug product consistency from early formulations to large-scale production, utilizing rapid, non-destructive methods.

Thermo Scientific Pharmaceutical Extruders enable the production of consistent API dispersion in drug formulation labs, from initial research through clinical trials and production.

This is made possible with three different sizes of twin-screw extruders that present the possibility of hot melt extrusion (HME) and wet granulation (twin-screw granulation or TSG) capabilities.

When additional help or service is required, Thermo Scientific’s services and support teams can offer the repair of key instruments as well as after-sales service and support.

Data security to meet compliance requirements

Concerning software requirements, customers can secure laboratory data confidently, ensuring that it is compliant with data security regulations using Thermo Scientific’s latest software solutions.

Thermo Scientific Security Suite Software can be paired with several analytical software tools to supply the data integrity required to meet 21 CFR Part 11 regulations for electronic documents.

The Thermo Scientific™ SolstiX™ XRD Software with Security Suite package is readily available with the company’s complete ARL™ EQUINOX XRD range and permits 21 CFR Part 11 compatibility.

Many of Thermo Scientific’s instruments allow customers to take advantage of crucial compliance solutions built into the instrument software (for instance, the Thermo Scientific Evolution™ 350 UV/Vis Spectrophotometer includes 21 CFR Part 11, USP and PHEUR compliance).

The Thermo Scientific Nicolet™ Summit FTIR Spectrometers, NanoDrop™ One UV-Vis, Evolution UV-Vis and ARL EQUINOX XRD systems all promote endorsed configurations for pharmaceutical QA/QC that follow the strict 21 CFR Part 11 requirements.

Thermo Scientific OMNIC™ Paradigm Software gathers data, evaluates samples and produces workflows. All spectral data is saved in a central database, which offers increased data storage flexibility and security.

Many of these software solutions supply traceability with complete audit trails, always making sure the integrity of data is well-maintained throughout its life cycle.

From research to production, Thermo Fisher Scientific allows pharmaceutical labs to create safe and effective drugs that comply with stringent regulatory requirements.

By offering a complete spectroscopy and materials characterization tool set, intuitive data analysis software and one of the industry’s biggest service and support organizations, Thermo Scientific helps drug producers guarantee quality from start to finish.

Table 1. Source: Thermo Fisher Scientific – Materials & Structural Analysis

 
Twin-screw
Extrusion
Raman FTIR NIR XRD Rheometry UV-Vis
Enhancing
bioavailability
and enabling
continuous
granulation
Chemical
compound
identification

Identification
of both organic
and inorganic
materials
Chemical
compound
identification

Identification of
organic materials
in bulk state
Chemical
compound
identification

QA/QC and
process control
Crystalline phase
identification and
amorphous content
determination
Characterization
of fluid properties
and other
complex materials
Quantitative
measurements
of reflection or
transmission properties of
a material

 

Comprehensive, full-spectrum support

When purchasing instrumentation from Thermo Fisher Scientific, customers are introduced to a partnership with an experienced team who they can count on for assistance throughout the workflow.

Thermo Scientific delivers comprehensive, worldwide application support and training, after-sales customer service, instrument compliance solutions and an international, world-class support network.

Thermo Scientific can use the combined experience of its entire organization to assist customers in the successful navigation of the drug discovery and development environment to distinguish, assess and obtain regulatory approval for marketing a drug product.

Thermo Scientific is on hand to support its customers along the complex pathway, no matter how challenging, from R&D through to preclinical studies and clinical trials, to the final review and approval of a commercial product.

Unique capabilities

How do the Thermo Scientific spectroscopic analytical instruments and services optimize the pharma/biopharma workflow?

Thermo Scientific’s instruments provide dependable, stable performance with great reproducibility. Its team can help customers select, use and service their tools to guarantee drug quality, safety and speed to market.

When paired with cutting-edge software, an instrument can capture the data required throughout the workflow to meet quality needs. This includes 21 CFR Part 11 compliance, GMP guidelines, pharmacopoeia (USP and EP) requirements while producing the reports necessary for regulatory filings.

Each qualified installation, in cooperation with world-leading technical service and support experts, sets the stage for a successful journey through the workflow. The technology and method that customers choose can help release analytical benefits at each stage of the process:

Table 2. Source: Thermo Fisher Scientific – Materials & Structural Analysis

Technology Benefit example
FTIR
  • Contaminant identification
  • Identify molecular polar substructure
  • Couple with Raman to assess molecular structure and stereochemistry
NIR
  • Inline monitoring of extrusion process
  • As a process analytical tool (PAT), allows real-time monitoring of product quality attributes to help deliver a constant desired product quality
  • Final product quality control in QC lab
Raman
  • Can map areas of a sample (e.g., tablet) to screen for component distribution or contamination
  • Reveal subtle structural and orientation differences in molecules
  • Facilitate quantitative analysis at micro levels
UV-Vis
  • Minimize sample
    handling
  • Assess concentration and purity in small or large molecule formulations
  • Micro UV spectrometry offers a large dynamic range to eliminate dilution
Rheometry
  • Measure critical rheological properties of compounds and extrusions
  • Use with polarization microscopy to study crystallization behavior to manage compounding and extrusion
  • Efficiently screen delivery parameters
XRD
  • Ensure product safety with the ability to assess polymorphs and amorphous content
  • Speed up analysis time for organic samples
  • Measure samples in reflection or transmission mode in the same configuration
HME
  • Enhance drug characteristics, including solubility enhancement, drug stability, consistent API dispersion, taste-masking, specialized dosing forms, and reformulation
  • Shorten the path from feasibility studies to production
  • Enable easy implementation of in-line monitoring, reduction of offline sampling, and minimization of reagents and disposables
TSG
  • Facilitates implementation of continuous manufacturing
  • Use the hybrid mode to run HME and TSG
Software
solutions
  • State-of-the-art software with a dedicated development team following updates in regulations requirements, full audit trails
  • Unified data security suite across product lines
  • Homogenized IT administrative tasks with a common security framework

 

Solutions for scaling-up and partnering instruments

Thermo Scientific’s team of pharmaceutical experts will assist its customers and help them achieve product development goals.

They can also help customers select the right instrument for any given workflow, whether just starting or ready to move from the pilot-scale in research and discovery to the small-to-medium scale batches needed in the development and clinical study phases and ultimately to commercial-scale manufacturing with continuous processes.

For granulation and extrusion, Thermo Scientific’s support experts can help customers make the best choices on size and compatibility with upstream and downstream processes that satisfy formulation needs at all research, development and production stages.

When working through the feasibility studies phase, the Thermo Scientific™ Pharma mini HME Micro-Compounder can conduct rapid and early assessment of new API/excipient formulations and help determine drug candidates for hot melt extrusion by combining as little as three grams of material.

When customers are ready to scale up, especially when in possession of a promising, new API that cannot otherwise be solubilized, Pharma 11, Pharma 16 and Pharma 24 twin-screw extrusion technology can help overcome such obstacles.

Finally, when customers are ready to streamline manufacturing, Thermo Scientific are on hand to help seamlessly integrate in-line analysis equipment and accessories upstream (like feeders) and downstream (like dryer, coating and forming technology) for an improved, continuous production process.

Table 3. Source: Thermo Fisher Scientific – Materials & Structural Analysis

 
Twin-Screw
Extruders
Pharma mini
HME
Pharma 11 Pharma 16 Pharma 24
Recommended for
  • Feasibility
  • Small-scale HME
  • Implants (ophthalmic and injectable)
  • Research and discovery
  • Laboratory scale
  • Development pilot scale
  • Production scale
  • Manufacturing
  • Production scale
Suitable for
  • Co-extrusion
  • Implant production
  • Co-extrusion
  • Sheet extrusion
  • Implant production
  • Co-extrusion
  • Sheet extrusion
  • Implant production
  • Sheet extrusion
  • High-volume HME production
Downstream options
  • Take off belt
  • Conveyor belt
  • Pelletizer
  • Conveyor belt
  • Pelletizer
  • Chill roll
  • Conveyor belt
  • Pelletizer
  • Chill roll
Typical throughput HME** 3 g batch
or 100 g/h
20 g/h –
2.5 kg/h
0.5 kg/h –
10 kg/h
1 kg/h –
30 kg/h
Typical throughput TSG** * Up to
3 kg/h
Up to
20 kg/h
Up to
80 kg/h
Unit
type
Benchtop
model
Benchtop
model
Floor
model
Floor
model
Screw design Conical, co-/counter-rotating Parallel, co-rotating Parallel, co-rotating Parallel,
co-rotating

* No TSG option
* Depending on formulation
* All parallel screw designs are interchangeable between HME and TSG operation
All extrusion instruments are made of pharma-grade steel and allow you to meet GMP compliance standards.

The workflow

Table 4. Source: Thermo Fisher Scientific – Materials & Structural Analysis

Research
and
discovery
Development Clinical study Manufacturing
Identify & validate target of interest and identify leads Advance a lead through testing, formulation & synthesis scale-up Experiment & observe to generate safety & efficacy data Industrial-scale synthesis of pharmaceuticals
FTIR, LC-MS, Micro UV, Raman, SPM, UV-Vis, XRD FTIR, HME, NIR, Raman, TSG, XRD FTIR, HME, NIR, Raman, TSG FTIR, HME, IR microscopy, NIR, NMR, Raman, TSG, UV-Vis, XRD
High-end instrumentation gives you the edge to discover your next breakthrough in a shorter timeframe Multi-purpose equipment enables you to develop the right analytics to ensure your drug quality and performance Reliable equipment and analyzers empower you to confidently produce your small-to-medium batches Highly automated workflows and analyzers help you safeguard your process from incoming material through production and final product ID

 

❱ Simultaneous analysis of multiple components

❱ Discover pioneering solutions faster

❱ Comply with quality and regulatory standards

Step 1: Research and discovery

Basic research and feasibility study methods motivate an understanding of the underlying disease mechanism while identifying the therapeutic target and facilitating appropriate selection of likely drug candidates for that target to progress to the next step in the process.

Discovery integrates assay development and high-throughput screening methods to advance the identification, analysis and characterization of the most promising small molecule and biotherapeutic compounds.

It also assesses how the candidates act in testing in vitro and in vivo with drug, metabolism and pharmacokinetic (DMPK) studies and subsequently choosing how to appropriately formulate the drug for delivery.

Table 5. Source: Thermo Fisher Scientific – Materials & Structural Analysis

The process of identifying and validating the target of interest and identifying potential lead compounds.
TSG/HME Raman FTIR XRD UV-Vis Micro UV
Produce extruded and granulated formulations
  • Perform rapid, quantitative analysis at micro levels with minimal sample preparation
  • Equipment with open architecture
  • Streamline material analysis with OMNIC Paradigm Desktop Software
  • Streamline material analysis with OMNIC Paradigm Desktop Software
  • Simplify data collection and rely on the security of database storage
  • Acquire spectra from far-infrared to visible
  • Identify polymorphs
  • Validate crystalline structure and amorphous content
  • Non-destructive analysis
  • Suitable for very small quantities
  • Count on accurate, reliable performance
  • Meet quality and 21 CFR Part 11, USP, EP compliance with Evolution 350 UV-Vis software
  • Minimize sample
    handling
  • Measure highly concentrated analytes
  • Meet quality and 21 CFR Part 11 compliance with NanoDrop One UV-Vis software

 

Table 6. Source: Thermo Fisher Scientific – Materials & Structural Analysis

Method/application Spectroscopy tools
Understanding the disease mechanism LC-MS, Raman, UV-Vis
New chemical synthesis FTIR, MS, UV-Vis
Biomolecule analysis (proteins, peptides, nucleic acids) Micro UV, UV-Vis, FTIR, Raman
Material characterization (physicochemical properties,
secondary structure and conformation, crystallography/crystallinity,
API domain, morphology)
UV-Vis, EM, XRD, SPM, Raman
Assay development FTIR, Raman, NIR, UV-Vis
Process development MS, NMR, NIR, HME, TSG, Raman
Crystallography XRD
DMPK studies Raman, UV-Vis

 

Step 2: Development

This step moves into pilot-scale development of the drug, tackling the analytical methods, process chemistry, process development and optimization and approaches for scale-up.

Early development also embraces the formulation process to evaluate the optimal composition and compounding method of the active pharmaceutical ingredient (API) and other components necessary for safe, timely and effective delivery to the therapeutic target.

Table 7. Source: Thermo Fisher Scientific – Materials & Structural Analysis

The process for advancing a lead compound from discovery to clinical trial through testing (pharmacokinetics, toxicology, and more), formulation, and synthesis scaleup.
TSG NIR Raman FTIR XRD HME
Produce extruded and granulated formulations
  • Monitor and analyze the workflow inline
  • Quality control process and method development
  • Assess bioavailability, molecular structure, and stereochemical conformation of formulation and corrections
  • Visualize API/excipient distribution
  • Streamline material analysis with OMNIC Paradigm Desktop Software
  • Analyze powders and liquids directly
  • Streamline material analysis with OMNIC Paradigm Desktop Software
  • Simplify data collection and rely on the security of database storage
  • Identify and investigate all polymorphs
  • Assess API stability with aging/temperature & humidity
  • Meet GMP recommendations and 21 CFR part 11 requirements
  • Enhance solubility of API
  • Create consistent dispersion of API
  • Address stability, taste, dosage form, and other characteristics

 

Table 8. Source: Thermo Fisher Scientific – Materials & Structural Analysis

Method/application Spectroscopy tools
Formulation design and optimization (proportion of ingredients, polymer composition) XRD, FTIR, HME, Raman, TSG
Drug delivery systems (injectable implant, tablet, powder, softgel, nanoparticle, orally disintegrating films, patches, other) and dosage forms (solid oral, transdermal, transmucosal, subcutaneous, buccal) FTIR, HME, TSG
Coating analysis Raman, FTIR microscopy, NIR
Solubility enhancement HME
Timed delivery enhancement (controlled, extended, sustained,
delayed release)
HME, TSG
Compounding HME, FTIR
Extrusion (coextrusion, hot melt extrusion) HME
Granulation (twin-screw, wet, dry, continuous)) TSG
Continuous manufacturing NIR, Raman, HME, TSG
Dispersion analysis (amorphous solid dispersion, crystalline solid dispersion) XRD
Stability testing Raman, XRD
Raw material testing FTIR, XRD
API distribution Raman
Polymorphism analysis XRD, Raman

 

Step 3: Clinical study

This step covers the typical Phase I, Phase II and Phase III clinical trial aspects with human participant groups in increasing scale.

While Thermo Scientific’s instrument portfolio has been designed for research use and not mapped to methods or applications for use with human samples, some of its instruments can be useful when adjusting the upcoming manufacturing process to optimize solubility and bioavailability of the API (HME), or to manage the integration of continuous manufacturing (TSG).

Table 9. Source: Thermo Fisher Scientific – Materials & Structural Analysis

The process of doing experiment or observations done in clinical research to generate data on safety and efficacy.
TSG Raman FTIR HME
  • Produce extruded and granulated formulations
  • Implement continuous manufacturing
  • Reduce human error and enhance productivity
  • Profile drugs in living cells
  • Expect stable performance with minimal downtime
  • Couple and customize to almost any equipment with open architecture
  • Simplified data collection
  • Achieve high-quality results on small samples
  • Can acquire spectra from far-infrared to visible
  • Enhance solubility of API
  • Process scale-up

 

How spectroscopy and materials characterization tools work within drug development

Image Credit: Thermo Fisher Scientific – Materials & Structural Analysis

Table 10. Source: Thermo Fisher Scientific – Materials & Structural Analysis

Method/application Scope
Phase I – safety, tolerability, pharmacokinetic (PK) studies Assess safety in a small population of healthy humans
Phase II – dose range finding, early side effects, GMP formulation Assess therapeutic effects in midsized population of healthy and diseased humans
Phase III – large-scale safety, efficacy studies Assess long-term effects in larger population of humans.

 

How spectroscopy and materials characterization tools work within drug development

Image Credit: Thermo Fisher Scientific – Materials & Structural Analysis

Step 4: Manufacturing

This step addresses the process scale-up that takes place in industrial-scale manufacturing, as well as the tasks associated or involved with surrounding procedure and production.

Table 11. Source: Thermo Fisher Scientific – Materials & Structural Analysis

Industrial-scale production of pharmaceutical drugs: hot-melt extrusion, milling, tablet pressing, coating, etc.
TSG NIR Raman FTIR XRD UV-Vis HME IR Microscopy
Produce extruded and granulated formulations
  • PAT
  • QA/QC
  • Monitor and analyze component mixing inline
  • Test finished products
  • Meet quality and 21 CFR Part 11 compliance with ValPro package and OMNIC Security Suite software
  • Test finished products
  • QA/QC
  • Reduce operator variability
  • Meet quality and 21 CFR Part 11 compliance with ValPro package and OMNIC Security Suite software
  • Test finished products
  • QA/QC
  • Analyze packaging material
  • Simplify data collection and rely on the security of database storage
  • Meet quality and 21 CFR Part 11 compliance with ValPro package and OMNIC Security Suite software
  • Test finished products
  • QA/QC
  • Identify polymorphs
  • Take transmission and reflection measurements in the same configuration
  • Meet quality and 21 CFR Part 11 compliance with ARL EQUINOX XRD system software
  • Assess sample quantity and purity
  • Meet quality and 21 CFR Part 11, USP, EP compliance with Evolution 350 UV-Vis software
  • Process scale-up
  • Create new dosage forms and delivery systems
  • Analyze final packaging material

 

Table 12. Source: Thermo Fisher Scientific – Materials & Structural Analysis

Method/application Spectroscopy tools
Quality checks (raw materials, finished goods, performance qualification consultation, batch and lot analysis, QA/QC) FTIR, XRD, NIR, UV-Vis, Raman
Process control (reaction monitoring, bioreactor monitoring, feedback/feed-forward/real-time monitoring, fluid bed drying/moisture/residual solvent analysis) FTIR, NMR, NIR, XRD
Regulatory compliance (USP/PHEUR, FDA, data security, informatics, traceability, auditing trails, analytical instrument maintenance, calibration, and certification, IQ/OQ/PQ qualification consultation) OMNIC security suite software and ValPro Package
Solubility enhancement of API HME with Raman
Continuous manufacturing TSG
Inline analysis of component mixing NIR
Packaging material analysis IR microscopy, Raman microscopy

 

How spectroscopy and materials characterization tools work within drug development

Image Credit: Thermo Fisher Scientific – Materials & Structural Analysis

Overarching quality from start to finish

Quality control and assurances during the pharma process include routines to help determine potential drug contaminants, guarantee product consistency and safety and maintain regulatory compliance.

Thermo Scientific’s instruments not only develop the drugs but also assist in the analysis and recording of data from inbound and raw materials through outbound and finished goods across the complete workflow process.

Its team can supply excellent service and support critical, making sure downtime remains minimal throughout the process and when a customer is ready to release a batch or crucial product.

How spectroscopy and materials characterization tools work within drug development

Image Credit: Thermo Fisher Scientific – Materials & Structural Analysis

Table 13. Source: Thermo Fisher Scientific – Materials & Structural Analysis

Application Before
you
begin
Research
and
discovery
Development Clinical
study
Manufacturing
Inbound and raw
material analysis
   
Outbound and
finished goods
analysis
   
Data integrity  
Traceability  
Minimize sample
handling
     
Sample purity/
contamination
 
Minimize downtime  
Stable performance  
Service and support

 

Surrounded by support

How spectroscopy and materials characterization tools work within drug development

Image Credit: Thermo Fisher Scientific – Materials & Structural Analysis

Thermo Fisher Scientific’s instruments and services analyze, qualify and manage product quality, helping assure customers in the delivery of safe, world-leading solutions:

  • Analyze the product quality throughout the workflow
  • Assure the results by qualification
  • Manage the data integrity to ensure compliance

Thermo Fisher Scientific recognizes the importance of instrument uptime in pharmaceutical QA/QC labs. Therefore, it offers an extensive range of service offerings to guarantee timely response and repair of mission-critical instruments.

Thermo Fisher Scientific’s comprehensive, global after-sales service and support, including instrument installation, applications support, on-site technical consultancy, instrument qualification, and compliance services.

Thermo Scientific’s customers can also take advantage of its premier offering, which includes a two-day on-site response or industry-exclusive no-charge requalification guarantee when adding OQ to a qualifying plan - hassle-free help with audit readiness for GMP compliance.

Additionally, with a global team of expert consultants, Thermo Scientific can also help its customers understand 21 CFR Part 11 and pharmacopeia requirements as they navigate complex industry demands.

Service

Make use of Thermo Scientific’s extensive expertise to reach the potential of discovery.

With a global business infrastructure and experienced key account management team, Thermo Scientific can offer outstanding post-sale support to follow instrument installation.

This is conducted by certified engineers who are on hand to respond to customer requests for calibration service, routine maintenance, corrective maintenance repairs, emergency response and other warranty and post-warranty service contracts.

Thermo Scientific also has instructors who have developed and used the product, developed the applications and methods and maintained the instruments to help train customer teams.

How spectroscopy and materials characterization tools work within drug development

Image Credit: Thermo Fisher Scientific – Materials & Structural Analysis

About Thermo Fisher Scientific – Materials & Structural Analysis

Thermo Fisher Materials and Structural Analysis products give you outstanding capabilities in materials science research and development. Driving innovation and productivity, their portfolio of scientific instruments enable the design, characterization and lab-to-production scale of materials used throughout industry.


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Last updated: Aug 26, 2021 at 3:44 AM

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