Process analysis can be a protracted and tedious process, requiring numerous touchpoints and a complex array of interrelated instruments. However, the rise of chemometrics has presented new opportunities for users to exploit the potential of new instrumentation. All-in-one process analyzers exemplify the trend towards optimized system design with experimental setups deploying the latest technologies. The prime advantage of using an all-in-one process analyzer is that it provides rapid, robust, scalable, and reliable identification, quantification, and characterization of molecules during any phase of R&D process development. But how does this relate to chemometrics?
Understanding Chemometric Analysis
Chemometrics is using data to create models in order to optimize measurement procedures. With chemometric analysis, users can create a data analysis model to monitor the concentration of various substances. It is crucial that the chemometric model is transferable between instruments to maximize its value and minimize the time and resource investment required for development. Once created, the chemometric model can be used with any compatible device to monitor multiple reactors simultaneously with high model accuracy. Transferring the chemometric model across different instrument hardware helps ensure that customers do not have to recreate the model when using a new instrument or probe.
Some all-in-one analyzers are equipped with easily exchangeable, autoclavable probes to meet various analytical needs, making them versatile and convenient tools for multiple applications. Additionally, the chemometric analysis feature allows users to develop a data analysis model to monitor the concentration of multiple analytes, which can be used across different instruments, maximizing the investment in building an accurate and robust chemometric model. I’ll discuss these advantages in detail with a quick rundown of how chemometric transferability across process analyzers works in the lab.
Chemometric transferability enables models developed in one process analyzer to be used with another, opening inroads to more efficient and cost-effective process monitoring. In the lab, chemometric transferability is achieved by developing robust models that can be easily transferred between instruments.
A chemometric approach is used to analyze data from multiple instruments, such as Raman or near-infrared (NIR) spectrometers, to develop a transferable model. The data is then used to develop a model that can accurately predict the outcome of a process or identify certain characteristics of the product being produced. This model can then be validated to ensure it can truly predict outcomes across different instruments and process conditions with absolute accuracy. Standardized operating and calibration procedures are critical in achieving transferability. It helps to ensure that the data collected is consistent and accurate and that the model developed can be effectively transferred from one process analyzer to another.
Chemometrics and All-in-One Process Analysis
Process analyzers monitor various drug product parameters, ideally in real-time. However, transferring models across different analyzers can be challenging due to differences in instrument configuration, such as the wavelength range, spectral resolution, and instrument settings. This can lead to additional costs and time for calibration and validation. Chemometrics, such as principal component analysis (PCA), partial least squares (PLS), and multivariate curve resolution (MCR), can be used to create transferable models that can be used across different process analyzers. They use mathematical algorithms to extract relevant information from the spectral data and create predictive models. The models can then be used to predict the composition and concentration of drug products in real time.
The advantages of chemometric methods include the ability to create robust and transferable models that can reduce the need for extensive calibration and validation. This can lead to significant cost and time savings for pharmaceutical manufacturers. Furthermore, chemometric methods can improve the accuracy and precision of process analyzers, leading to better quality control (QC) and consistency of drug products.
When coupled with all-in-one process analyzers, a chemometric approach to process analysis provides the greatest possible flexibility, expanding the parameters that can be observed in real-time without compromising on measurement quality.
Authors: Dean Stuart
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