New Method Development Solution

Efficient identification of optimum separation conditions/

DoE ensures robust method conditions/

Visualization of design space and retention modelling

Shimadzu, one of the world leaders in analytical instrumentation, has announced the release of its “LabSolutions MD” software for analytical method development for high-performance liquid chromatography (HPLC). In addition to established “Method Scouting” functionality that enables automated, quick 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 Harmonisation of Technical Requirements for Pharmaceuticals for Human Use (ICH), to emphasize scientific foundations and risk assessment for 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 the system setup, as well as automated batch creation, to provide reliable data while minimizing the risk of human error. It enables screening of various combinations of different mobile phases and separation columns to rapidly identify a suitable combination visually and quantitatively according to specified parameters, such as number of separated peaks and resolution. With the selected combination, LabSolutions MD can then create a multifactorial experimental design, where using only limited input data, the software is able to determine optimum separation conditions within the design space. Accurate retention modelling allows an estimation of method robustness in minimal time.

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

LabSolutions MD key features

1. Rapid Identification of Optimum Separation Conditions using Design of Experiments (DoE)

Using the “trial-and-error” approach, a large number of experiments can be necessary to establish a suitable separation method, especially with complex samples. With a multifactorial experimental design, only a limited amount of experimental data is required to create a defined design space. Computer simulation and retention modeling within this design space allow for fast, statistically informed decisions on suitable separation conditions, while reducing the risk of human error.

2. Visualization of Optimum Separation Conditions in a Resolution Map

The effect of changes in analytical conditions on chromatographic resolution within the design space is visualized in a color-coded map that enables 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 view of analysis with the specified conditions.

3. Integrated Database Management of the Analytical Method Development Process

LabSolutions CDS creates summary reports that include all collected data. In addition, 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 drug products during development as well as production. HPLC and UHPLC are most often the methods of choice in pharmaceutical QA/QC departments. To ensure patient safety, development of accurate, highly reliable analytical methods is a pre-requisite for pharmaceutical manufacturers. Using a “trial-and-error” approach often leads to less than optimum separation conditions and little robustness against small changes in one or two method parameters. Also, it can be time consuming, even for experienced scientists with the necessary expertise.

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

Web summary

Shimadzu has announced the release of its “LabSolutions MD” software for analytical HPLC method development. In addition to established “Method Scouting” functionality that enables automated, quick and simple column and solvent screening, the new LabSolutions MD method development solution supports “Analytical Quality by Design” (AQbD). With a multifactorial experimental design, only a limited amount of experimental data is required to create a defined design space. Computer simulation and retention modeling within this design space allow for fast, statistically informed decisions on suitable, robust separation conditions, while reducing the risk of human error. LabSolutions MD, in combination with the Shimadzu LabSolutions chromatography data system, provides data management, evaluation, and intuitive reporting, all in a LabSolutions database, ensuring data integrity.

Figure 1: LabSolutions MD Software Window