Here is the hard truth: in most cases, the material is fine. The instrument is fine. The problem is a misunderstanding of what FTIR matching actually measures, and it is costing pharmaceutical QC labs hours of unnecessary retesting, false rejections and eroded confidence in a technology that is genuinely excellent at its job.

This article unpacks the three real causes of low match scores, what FTIR can and cannot tell you, and how to build a workflow that turns your spectrometer into the trusted identification workhorse it was designed to be.

Why does my FTIR keep giving me low match scores?

Walk into most pharmaceutical QC labs and you will see some version of the same frustration. A technician places a powder loosely on the diamond crystal, presses the plunger halfway down, gets a poor match score and logs it as a suspected material failure. After years of working alongside QC teams across hundreds of laboratories, the Chemetrix team can tell you that this scenario almost always comes down to one of three things.

Poor ATR crystal contact: Infrared light only penetrates a few micrometres into the sample surface. Air gaps or inconsistent pressure mean the evanescent wave never reaches the material properly, producing a weak and noisy spectrum that will not match any reference cleanly.

Generic reference libraries: Most labs rely on commercial libraries built from a single reference sample under ideal conditions. When your actual material arrives with slight batch variation, a different particle size or minor additives, it will not match that idealised reference, even if it is exactly the right material.

Misplaced expectations: A match score measures similarity under the conditions of measurement. It is not an absolute verdict on material identity. Even a correct material from the correct supplier can return a score well below 100% if technique or library quality is off.

The good news is that all three of these problems are fixable.

What is FTIR actually measuring?

FTIR spectroscopy works by focussing on infrared light at a sample and measuring which wavelengths the material absorbs. Every compound has a unique pattern of absorption peaks, its molecular fingerprint. The ATR (attenuated total reflectance) method makes this fast and practical by bouncing the infrared beam off a diamond crystal in contact with the sample, requiring no preparation beyond placing the material on the sensor.

Library matching then compares your sample’s fingerprint to a reference spectrum using a mathematical correlation algorithm. The result is a match score, not a binary yes or no,
but a measure of how similar the two spectra are under the conditions of that measurement. Importantly, standard library search methods are designed to detect differences in the 5 to 10% range between a sample and its reference, which means some variation is expected
and entirely normal.

This is a critical distinction. Natural spectral variation occurs between batches of the same material due to:

• Moisture content and surface effects
• Particle size differences between suppliers or manufacturing runs
• Trace additives or stabilisers that are entirely acceptable within specification

None of these make the material wrong. But all of them will affect your match score if your reference library was not built to account for them.

Here is the insight that changes everything:

Most importantly, the Cary 630 runs Agilent MicroLab software, a method-driven and pictorial interface that makes building site-specific libraries an intuitive task rather than a data science project. MicroLab supports advanced classification methods including PLS-DA (partial least squares discriminant analysis). In published testing using the Cary 630 with MicroLab, a PLS-DA method achieved 100% correct classification of pharmaceutical samples and detected contaminants at levels as low as 0.5%. Results are displayed as colour-coded pass/fail indicators and automatically logged in 21 CFR Part 11 compliant audit trails.

This is what Chemetrix calls the Golden Reference Library: a site-specific and validated collection of spectra that reflects your materials, your suppliers and your real-world conditions. Not a generic database. Yours.

Join leading experts for an illuminating day of discussions and discovery in Atomic Spectroscopy and Total Organic Carbon (TOC) analysis. Learn how these technologies are driving smarter, more sustainable decisions across industries – from environmental testing to industrial process control.

Agenda

Veolia Sievers TOC Analyzers for Industrial & Environmental Applications

• Introduction to the Sievers I&E Product Portfolio
• M-Series Technology
• Condensate & Boiler Feed Water Applications
• Drinking Water & Reuse Applications

• InnovOx Technology
• Industrial Water Applications
• Food & Beverage Applications
• Desalination & Brine Applications

Agilent Atomic Spectroscopy Solutions for Industrial & Environmental Applications

• Agilent Atomic Spectroscopy Portfolio Overview
• Analysis of Water Samples using Agilent ICP-MS Systems
• Overcoming High-Matrix Sample Challenges through Optimized ICP Methods

• Unlocking Mining, Food & Environmental Applications with Agilent ICP-OES 5800/5900
• Choosing Between Single-Quad ICP-MS and Triple-Quad ICP-MS/MS
• Coupling HPLC to ICP-MS for Speciation Applications

Chemetrix Consumables & Sample Preparation

• New consumable products to optimise performance and reduce downtime
• Practical guidance on sample preparation workflows

Why Attend?

• Gain insight into real-world industrial and environmental applications.
• Learn from industry and technical experts on how to enhance precision, productivity, and sustainability in your lab.
• Network with fellow professionals shaping the future of analytical science.

Spaces are limited

Register now for the event now!

This is the remarkable capability of spectroscopy – a technique that allows scientists to “see” the invisible by analysing how light interacts with matter. In South African laboratories, spectroscopy plays a crucial role in ensuring the safety of our water, the efficacy of our medications, and the quality of our food.

The challenge of accurate, non-destructive analysis

In laboratories across South Africa, identifying and quantifying complex substances is a key challenge. Traditional methods often require time-consuming preparation and can be destructive. FTIR spectroscopy offers a non-destructive solution, making it ideal for lithium-ion battery (LIB) research. The Agilent Cary 630 FTIR spectrometer helps scientists analyse critical battery components, such as electrodes, electrolytes, and polymers, with speed and precision. This allows for better optimisation of materials, leading to more efficient, durable, and cost-effective batteries; paving the way for safer and high-performance energy storage solutions.

There is a growing need for techniques that are both precise and non-invasive, allowing for rapid analysis without compromising the integrity of the sample.

📚 Download the Improving Battery Production Yield, Performance, and Stability Using FTIR application note for insights on why battery manufacturers are under immense pressure to boost productivity and enhance product quality, performance, and safety.

Understanding spectroscopy and its applications

Spectroscopy encompasses a range of techniques that measure the interaction between light and matter to identify and quantify various substances.

Key methods include:

• UV-Vis Spectroscopy: Utilises ultraviolet and visible light to determine the concentration of analytes in solution, commonly used in pharmaceutical and environmental testing.
• FTIR Spectroscopy: Employs infrared light to obtain an absorption spectrum, useful for identifying organic compounds and functional groups in a sample.
• Raman Spectroscopy: Measures the scattering of light to provide information about molecular vibrations, aiding in the identification of chemical structures.

These techniques are valued for their ability to provide detailed information with minimal sample preparation and without destroying the sample, making them indispensable tools in modern laboratories.

Simplifying analysis

The Agilent Cary 630 FTIR Spectrometer offers a compact and robust solution for laboratories requiring rapid and accurate infrared analysis. Its user-friendly interface and quick sampling capabilities make it ideal for routine testing in various industries, including pharmaceuticals and food safety.

Key benefits include:

• Ease of Use: Designed for simplicity, allowing users to perform analyses with minimal training.
• Speed: Delivers quick results, enhancing laboratory efficiency.
• Accuracy: Provides reliable data for quality control and assurance processes.

By integrating the Cary 630 FTIR into their workflows, South African laboratories can achieve faster turnaround times and maintain high standards of analytical accuracy.

🖥️ Can the TopScan 4300 FTIR test liquid?  What is the detection limit of the 4300 FTIR? Is ambient light an issue for Vaya Raman spectrometer? Watch the Common Handheld FTIR and Raman Questions Answered webinar to find out.

Advancements in UV-Vis

The Agilent Cary 3500 UV-Vis Spectrophotometer represents a significant advancement in ultraviolet-visible spectroscopy. Its innovative design and advanced features support a wide range of applications, from pharmaceutical development to environmental monitoring.

Highlights include:

• Multicell Capability: Allows simultaneous measurements, increasing throughput.
• Temperature Control: Enables precise thermal regulation for temperature-sensitive analyses.
• Robust Software: Offers comprehensive data analysis and reporting tools.

Implementing the Cary 3500 UV-Vis in South African labs enhances analytical capabilities, ensuring compliance with regulatory standards and supporting high-quality research outcomes.

🖥️ Watch the How a UV-Vis-NIR System can be Applied to Solar Panel Evaluation webinar and explore how to utilise the Agilent Intuvo 9000’s ferrule-free, click-and-run connections and the inlet splitter flow chip, dual-column analysis is simplified.

Building a future of reliable and efficient laboratories

The adoption of advanced spectroscopy instruments like the Agilent Cary 630 FTIR and Cary 3500 UV-Vis empowers South African laboratories to meet the increasing demands for accurate, efficient, and non-destructive analysis.

These technologies not only improve current testing capabilities but also position labs to tackle future analytical challenges with confidence.

By partnering with Chemetrix, laboratories gain access to cutting-edge instruments, expert support, and comprehensive training, ensuring they remain at the forefront of scientific innovation.

📚 Download the Advancing Research of Lithium-Ion Batteries Using the Agilent Cary 630 FTIR Spectrometer white paper and explore how researchers around the globe are looking at ways to increase the energy capacity of batteries, reduce charging times, and find cheaper and safer alternative materials for LIB components.

Partner with Chemetrix for spectroscopy solutions

Elevate your laboratory’s analytical performance by integrating state-of-the-art spectroscopy solutions. Chemetrix offers a range of Agilent instruments, including the Cary 630 FTIR and Cary 3500 UV-Vis, tailored to meet the specific needs of South African laboratories.

Contact Chemetrix today to learn more about how our spectroscopy solutions can enhance your laboratory’s capabilities and support your commitment to excellence in scientific analysis.

The growth of the African dairy market is driven by factors such as changing consumer preferences, increased demand, and local special circumstances. The International Finance Corporation (IFC) projects that the African dairy sector will continue to grow by 30% which is drawing attention from investors.

Milk: The essentials

Milk is a natural source of the fats, minerals, nutrients, micronutrients, and vitamins required for a balanced diet. It is also essential for the growth and development of babies and infants into early childhood. Either breast or infant formula milk is given to babies for at least the first six months of their lives, and between the ages of one and two years, whole milk and dairy products are recommended to ensure that babies receive essential vitamins they may not otherwise obtain from lower fat alternatives.

Preserving nutritional values, safety, and authenticity

Milk and its related products are tested for three main reasons within the food and beverage industry:

1. Nutrition — ensuring the required nutritional value of milk is present in its products.
2. Safety — confirming the absence of suspected harmful chemicals in milk.
3. Authenticity — determining if milk products are adulterated and therefore compromised in any way.

By testing these three factors, consumers are more protected from mislabelled, fraudulent, and potentially contaminated milk products that may have reached the marketplace unregulated.

The importance of testing nutritional values of milk and infant formulas

Testing the nutritional values of milk is important so that consumers can make informed decisions about their purchases. Above all, manufacturers of specified products — such as infant formulas for example — must adhere to uncompromising nutritional values determined by regional, national, or international regulatory bodies.

To support consumers making these decisions about their milk and/or infant formula purchases, it is crucial for manufacturers to label their products accurately. In doing so, food testing labs may carry out experiments using HPLC, LC/MS/MS, and GC systems to accurately measure milk content for sugars, fats, vitamins, and amino acids.

Measuring the levels of vitamins as well as beneficial (and some essential) elements such as sodium, potassium, magnesium, calcium, selenium, phosphorus, manganese, and zinc, provides insightful nutritional information. It’s also important to monitor for potentially toxic elements such as arsenic, cadmium, tin, mercury, and lead in animal-derived milk as contamination could originate from animal feed, fertiliser, soil, or processing equipment.

In one study, the Agilent 5800 VDV ICP-OES system used with an SPS 4 autosampler determined calcium, copper, iron, potassium, magnesium, manganese, sodium, phosphorous, and zinc in milk powder and infant formula samples according to the ISO 15151 method. Results showed that the recoveries for all analytes with certified or reference values were within ±10% of the expected value, thus confirming its nutritional labelling.

Other experimental examples include the rapid analysis of major and trace elements in milk and milk products using an Agilent 7900 ICP-MS with optional Ultra High Matrix Introduction UHMI technology and Integrated Sample Introduction System (ISIS 3).

Examining the safety of milk

Foods of animal origins such as dairy milk go through additional scrutiny to detect levels of veterinary drugs. Without a sophisticated approach for testing dairy milk samples, analytical challenges are likely to arise due to the complexity of the matrix and the number of pharmaceutical analogues needed to monitor. Furthermore, the different legislative requirements of various countries require sample referencing that meets a wide variety of regulatory conditions.

Watch our webinar on Food Testing Using Atomic Spectroscopy>

Another factor to consider when examining the safety of milk is the responsible use of pesticides within established limits in animal feeds from which dairy milk is extracted, and in other plant-based ingredients which may be added to other milk products. To validate this, LC/MS, GC/MS, and Q-TOF workflows offer food testing labs the solutions needed to accurately measure pesticide levels in milk samples.

Exposing fraudulent milk to preserve its authenticity

Globally, milk continues to be one of the most adulterated food and beverage products on the market. For example, in 2008 the analysis of dairy milk powder from Minhe Hui County, China, revealed the contamination of melamine—an organic compound used to manufacture fertilisers and concrete—to be 500 times the maximum limit of melamine found in test samples at that time.

More recently in Southern Asia, the Punjab Food Authority seized almost 80,000 litres of milk to combat the adulteration of dairy products in the local metropolis. The milk was flagged due to the addition of urea and water.

In addition to deceiving consumers and manufacturing producers, food fraudsters can seriously affect the health outcomes of individuals. Fortunately, innovations in analytical instrumentation and testing methods are exposing these unlawful acts to reinstall consumer confidence by validating the authenticity and safety of products such as milk and infant formulas.

For example, the Agilent 8890 GC and the Agilent 5977B GC/MS single quadrupole mass spectrometer have been used to detect and quantify β-sitosterol in ghee (milk fat) samples to check for vegetable oil adulteration. The presence of β-sitosterol is associated with low quality and is a potential indicator of adulterated milk. Results showed that 2.24 ppm β-sitosterol was found in the ghee sample on which the study was performed.

Both targeted and non-targeted approaches can be used to identify known compounds in milk and other food authenticity testing. The latter is beneficial if adulterants in milk are new or have not been previously identified by food testing labs. Non-targeted methods using quadrupole time-of-flight mass spectrometers, for example, create a chemical fingerprint of authentic foods, making it more difficult for food fraudsters to cheat the global food supply chain.

Forming partnerships to eliminate milk fraud

As milk sale projections are estimated to increase over the next few years, and with wider varieties of product choices in stores and online, it is important that companies like Chemetrix continue to work in partnership with its food testing customers to eliminate the threat of milk fraud while preserving its nutritional values, safety, and authenticity. Above all, manufacturers of milk products must adhere to multiple food regulations relating to quality and safety which are constantly being updated. Chemetrix is here to support our customers so that consumers of their products have confidence in their purchase choice for the nourishment of themselves and their families.

Parts of this article have been adapted from the original published by Agilent.

]]> https://chemetrix.co.za/how-real-is-your-milk/feed/ 0 https://chemetrix.co.za/spectroscopy-digital-workshops-bootcamps-webinar-series/ https://chemetrix.co.za/spectroscopy-digital-workshops-bootcamps-webinar-series/#respond Mon, 04 Mar 2024 21:00:44 +0000 https://chemetrix.co.za/?p=5372 Continue reading "Spectroscopy Digital Workshops & Bootcamps Webinar Series"]]> Hone your lab skills, outside the lab, with our live, interactive series of virtual workshops and software bootcamps! Learn about the latest in software solutions for Spectroscopy, discuss the entire analytical process from method development to data analysis, and participate in live analytical runs with our experts. We hope these will prepare you for future hands-on events in the future.

From Single Cell and Nanoparticle Analysis to Laser Ablation and Beyond: Advanced ICP-MS Research Applications

This discussion will include an overview of NanoParticle, Single Cell, Speciation, Laser Ablation, and other hyphenated ICP-MS applications that can advance your research and development with unparalleled insights.

Speaker

L. Craig Jones
ICP-MS Application Scientist,
Agilent Technologies, Inc.

Microplastic Pollution: IR Microspectroscopy is Enhancing Chemical Identification

Speaker

Dave Schiering
Founder & Chief Technology Officer
RedWave

Tips and Tricks Workshop on ICP-OES: Smarter Method Development

Techniques on how to achieve the best sensitivity and detection limits through tuning techniques and strategies.

Speakers

Ana García González
Atomic Spectroscopy Application Scientist
Agilent Technologies, Inc.

Christopher Conklin
Product Specialist
Agilent Technologies, Inc.

Microplastics in Wastewater: A Population-Based Approach to Identifying Potential Sources

Speaker

Ian Eggleston
Masters Student in Plant and Soil Sciences
Stockbridge School of Agriculture, UM, Amherst

Innovations in ICPMS Software: Making the Most of Your Analysis

Recent innovations in ICPMS MassHunter and how these innovations can assist analysts be more confident in their data.

Speaker

Bert Woods
Application Scientist
Agilent Technologies, Inc.

Moving from R&D and Limited QC on a UV-Vis-NIR instrument to Large Scale QC Using an Autosampler

Speaker

Mark Fisher, PhD
Application Engineer, Molecular Spectroscopy
Agilent Technologies, Inc.

Tips and Tricks on ICP-OES for Best Detection Limits and Less Carryover

When it comes to detection limits we all want to achieve the lowest possible values. Learn all the tips and tricks and select the proper components of an ICP-OES sample introduction system to optimize your data quality. Take advantage of the smart and easy features of Agilent’s ICP-Expert software to enhance instrument performance and remove carryover.

Speaker

Sima Singha, PhD
ICP-OES Application Scientist, Atomic Spectroscopy
Agilent Technologies, Inc.

Identification of Incoming Raw Materials in Paper Bags, Sacks, Tubs, Bottles, and Barrels

Speaker

Luciana Terra
Application Scientist, Molecular Spectroscopy
Agilent Technologies, Inc.

Register now >

Pharmaceutical and biopharmaceutical materials have become more sophisticated in life science research across fields (such as cancer research, drug development, vaccines, and quality control in regulated environments). The technology used for the analysis should evolve, too.

This webinar will highlight the benefit of the new Agilent Cary 3500 Flexible UV-Vis spectrophotometer and its capabilities in improving workflows in the pharmaceutical industry.

Speaker

Geethika Weragoda
Application Scientist
Agilent Technologies, Australia

Register and watch on demand >

This will include use of transmission Raman as an alternative to UPHPLC for content uniformity and polymorph studies. Furthermore, use of a next generation IR instrument using a quantum cascade laser will be described for chemical imaging studies including analysis of tablet component distribution, polymorph distribution, salt exchange and stability studies. New breakthrough technologies for ultra-fast and productive parallel temperature based kinetic studies, protein folding, DNA melting and other temperature related UV-Vis measurements will end this overview.

Speaker

Speaker

During this webinar, we will explore the development of these standard methodologies and some of the key challenges faced in their implementation.

What will you learn

• What progress has been made in the development of standardised methodologies for microplastics?
• What are some of the key challenges that remain in implementing these methodologies?
• How might these developments impact other areas and the potential for implementing regulations?

Who should attend this webinar

• Microplastics researchers
• Microplastics analysts from commercial, QA, or research labs who seek to understand how their methods might be compatible with developing standardised methodologies
• Those interested in the contamination of wastewater, seawater, freshwater, air, sediments, and food (such as fish, shellfish, crustaceans, and bottled water)

Speaker

ICP-OES

Troubleshooting and Maintenance

725 ICP-OES, 735 ICP-OES, 5100 ICP-OES, 5110 ICP-OES, 5800 VDV ICP-OES, 5800 RV ICP-OES, 5900 SVDV ICP-OES

Tips and Tricks

Tips & Tricks to Increase Productivity on ICP-OES

Watch Webinar

Discover How to Simplify Method Development and Data Analysis on ICP-OES

Watch Webinar

Tutorials

How to Optimize Your ICP-OES Sample Introduction System for Your Samples Type

Watch Webinar

Method Development Tips for ICP-OES: Wavelength Selection Considerations for Optimal Sensitivity and Linearity

Watch Webinar

Are ICP-OES Interferences Giving You Concern? Learn How to Remove Spectral Interferences and Improve Accuracy

Watch Webinar

Atomic Absorption

Troubleshooting and Maintenance

AA240, AA240FS, AA280FS

AA240Z, AA280Z

Tips and Tricks

View Tips and Tricks to ensure you are getting the Correct Results from your Flame Atomic Absorption

Watch Webinar

Tips and Tricks Workshop on Flame AA: Demystify Optimization & Operation

Watch Webinar

UV-VIS

Fundamentals

Back To Basics Workshop with UV-Vis: Part 1

Watch Webinar

Back To Basics Workshop with UV/Vis: Part 2

Watch Webinar

Tutorials

Scans, Kinetics, and Thermal Melts: An UV/Vis Application Workshop

Watch Webinar

UV-Vis Quantitative Method Development Workshop

Watch Webinar

FTIR

Fundamentals

A Workshop on the Fundamentals and Tips & Tricks of FTIR

Watch Webinar

Tips and Tricks

How to Perform Routine Quantification by FTIR: Tips & Tricks Workshop

Watch Webinar

Fluorescence

Fundamentals

View A Workshop on the Fundamentals and Tips and Tricks of Fluorescence Measurement

Watch Webinar