Software support for analytical HPLC method development and optimization Labmate Online


Shimadzu, a world leader in analytical instrumentation, announced the release of its “LabSolutions MD” software for the development of analytical methods for high performance liquid chromatography (HPLC). In addition to established “method scouting” functionality that enables automated, fast and simple column and solvent screening, the new LabSolutions MD method development solution supports “Analytical Quality by Design” (AQbD) as proposed by the International Council for Harmonization of Technical Requirements for Pharmaceuticals for Human Use (ICH), to emphasize the scientific basis and risk assessment of newly developed analytical methods.

LabSolutions MD software supports method development according to AQbD principles. In combination with the Nexera UHPLC Method Scouting System, it offers a graphical user interface to simplify system setup, as well as automated batch creation, to deliver reliable data while minimizing the risk of human error. It allows screening of various combinations of different mobile phases and separation columns to quickly identify an appropriate combination visually and quantitatively based on specified parameters, such as number of peaks separated and resolution. With the combination selected, LabSolutions MD can then create a multifactorial experimental design, where using only limited input data, the software is able to determine the optimal separation conditions in the design space. Accurate retention modeling allows an estimation of the robustness of the method in a minimum of time.

LabSolutions MD, in combination with the Shimadzu LabSolutions Chromatography Data System (CDS), provides data management, statistical evaluation, and intuitive reporting, all within a LabSolutions database, ensuring data integrity .

LabSolutions MD Key Features

LabSolutions MD is seamlessly integrated into the LabSolutions CDS and features the same graphical user interface as the Method Scouting Solution software, ensuring quick and easy system setup. In addition to fully automated method screening, it offers:

Quickly identify optimal separation conditions using Designs of Experiments (DoE)

Using the “trial and error” approach, a lot of experimentation may be required to establish an appropriate separation method, especially with complex samples. With multifactorial experimental design, only a limited amount of experimental data is needed to create a defined design space. Computer simulation and modeling of retention in this design space enables rapid, statistically informed decisions on appropriate separation conditions, while reducing the risk of human error.

Visualization of optimal separation conditions in a resolution map

The effect of changes in analytical conditions on chromatographic resolution in the design space is visualized in a color-coded map that allows effortless identification of robust method conditions, where a separation is less likely to be affected by small variations in method parameters. Computer simulation can be used to create a virtual chromatogram analysis view with specified conditions.

Integrated database management of the analytical method development process

LabSolutions CDS creates summary reports that include all the data collected. Additionally, the software can provide integrated management of the entire sequence of files in a database to ensure data integrity.

Strict quality control is required for new and established pharmaceutical products during development as well as during production. HPLC and UHPLC are most often the methods of choice in pharmaceutical QA/QC departments. To ensure patient safety, the development of precise and highly reliable analytical methods is a prerequisite for pharmaceutical manufacturers. Using a “trial and error” approach often leads to less than optimal separation conditions and poor robustness to small changes in one or two method parameters. Also, it can be time consuming even for experienced scientists with the necessary expertise.

AQbD promotes a comprehensive assessment of analytical conditions, without relying on an operator’s experience or intuition. It increases reliability and enables the efficient development of accurate and robust analytical methods.

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