Shimadzu’s New Analytical HPLC Method Development Support Software Follows “Quality-by-Design” Principle Using Design of Experiments


Shimadzu, one of the world leaders in analytical instrumentation, introduces LabSolutions MD software for analytical method development for high-performance liquid chromatography (HPLC). In addition to featuring established Method Scouting functionality that enables automated, quick and simple column and solvent screening, LabSolutions MD provides rapid identification of optimum separation conditions using Design of Experiments (DoE).

When using the traditional “trial-and-error” approach, a large number of experiments can be necessary to establish a suitable separation method, especially with complex samples. LabSolutions MD, by using a multifactorial design, requires only a limited amount of experimental data 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.

In addition, LabSolutions MD 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.

In combination with Shimadzu’s Nexera UHPLC Method Scouting System, LabSolutions MD software offers a graphical user interface to simplify the system setup, as well as automated batch creation to provide reliable data that minimizes 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, while using only limited input data, to determine optimum separation conditions within the design space. Accurate retention modelling allows an estimation of method robustness in minimal time.

Users of LabSolutions MD can also visualize the effect of changes in analytical conditions on chromatographic resolution within the design space 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.

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 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.