Peak Purity / Deconvolution

This podcast will examine peak deconvolution with photodiode array detectors and how a unique software function can separate peaks that are not resolved on-column, yielding better detection results and minimizing method development and analysis time. The podcast will explore the development of this tool with a leading pharmaceutical company and provide examples of how it can have an impact across a wide range of disciplines in the pharma/biopharma arena, from development to production.

An i-PDeA II (Intelligent Peak Deconvolution Analysis II) data analysis technique was developed for extracting target peaks from unseparated peaks by analyzing photodiode array (PDA) detector data using the chemometrics multivariate curve resolution alternating least squares (MCR-ALS) technique. The i-PDeA II function can separate peaks for multiple components in absorption spectra and chromatograms by simply specifying the wavelength and time ranges. The i-PDeA II function can be used to identify spectra and quantitate peaks after separation of individual components, even for difficult-to-separate peaks for which a standard sample cannot be prepared. Furthermore, because i-PDeA II separates peaks based only on differences in spectral shape, it can also be used to separate and quantitate peaks for co-eluted isomers. This report explains the principle used by the i-PDeA II technique to separate peaks, describes an example of using i-PDeA II to analyze a sample with isomers of three components, and evaluates the spectral identification and quantitation performance.

The following procedure is commonly used to measure the concentration of impurities in pharmaceutical products using area percentage normalization: prepare and analyze the standard solution at a concentration such that the height of the main peak will be within the linear range of the detector, then analyze multiple dilutions of the sample. Since the new photodiode array detector SPD-M40 has completely eliminated the effects of stray light during detection, it not only provides a wide dynamic range (linearity up to 2.5 AU as a specification value, typical value is more than 2.5 AU) but also achieves low noise and high sensitivity.

Measuring molecular weight distribution of polymer compounds by size exclusion mode is one of the typical parts of HPLC and generally called gel permeation chromatography (GPC). Nowadays there is an increasing demand demand for high throughput analysis even in well-established GPC. Here we introduce a novel GPC analysis that affords both high throughput GPC results by overlapped injection using conventional size of columns and simultaneous determination of polymer additives.

Significant progress has been made in automating analytical operations in an effort to improve productivity and prevent human errors. Nevertheless, differences in the functionality, performance, and operability of instruments and software and also in the level of analytical chemistry knowledge and expertise can affect the reliability of results and the condition of instruments. Analytical Intelligence is a new concept for analytical instruments offered by Shimadzu. Analytical Intelligence consists of systems and software that simulate expert operators automatically determining whether or not conditions and results are good or bad, providing feedback to users, and solving common problems. It increases data reliability by compensating for any differences between users in their instrument knowledge or experience. This Technical Report bulletin describes the new Analytical Intelligence functionality included in the new Nexera™ series.

Significant progress has been made in automating analytical operations as more efficient and flexible work styles are required. The integrated i-Series contains all the functions required for LC analysis in a compact unit. These functions have been optimized for ease of operation and maintenance. In addition to the exceptional instrument performance offered in previous models, the new i-Series (LC-2050/LC-2060) models also feature Analytical Intelligence functionality for supporting automation of analytical operations and ensuring acquisition of highly reliable data. Analytical Intelligence is a new concept for analytical instruments offered by Shimadzu. Analytical Intelligence consists of systems and software that simulate expert operators automatically determining whether or not conditions and results are good or bad, providing feedback to users, and solving common problems. It increases data reliability by compensating for any differences between users in their instrument knowledge or experience. This Technical Report bulletin describes the new Analytical Intelligence functionality included in the new i-Series.