Ypso-Ionic

Ypso-Ionic is a mechanistic modelling and simulation software tool developed by Ypso-Facto for chromatography process development in biologics downstream processing. It is designed for downstream scientists and process modellers working in pharmaceutical and biotech environments who need to simulate chromatographic processes and reach optimal conditions with fewer experiments than traditional one-factor-at-a-time (OFAT) or design of experiments (DoE) approaches.

The platform combines a structured data management interface with a physics-based simulation engine, and also includes a dedicated buffer preparation tool. It is built to adapt to varying project needs, from simple process flows to complex multi-column configurations with advanced flow settings.

Interface and Data Management

• A structured project arborescence supports fast navigation through experimental data and process descriptions.
• Units can be selected and changed on-the-fly to suit momentary needs.
• Built-in data treatment functions include: generation of fractions from continuous data, calculation of key performance indicators such as purity and yield, mass/mol conversions, and time/volume/bed volume (BV) conversions.
• Automatic sequencing of multiple data treatments is supported to reduce manual steps.
• Graphing tools allow process steps to be displayed on curves; charts can be customised and formatted using custom templates.
• All tabular results can be exported to Excel.
• Word reports can be generated, including detailed process descriptions accompanied by charts.

Process Configuration Capabilities

• Process descriptions are stored alongside experimental data within the same project structure.
• Both online and offline data are organised in clearly labelled tables with units.
• Initial conditions can be specified for each process.
• Step names, durations, and configuration details are fully configurable.
• Multiple columns, dead volumes, and collection tanks can be added in any number and connected without restrictions.
• Advanced flow configurations, including gradient flows, are available.
• Backflush operation is supported.
• Column dimensions and raw material composition data entered elsewhere in the project can be consulted directly within the process setup.
• Built-in automatic checks help detect and troubleshoot issues in the process setup.
• Notes and comments can be stored alongside data.

Mechanistic Modelling Engine

Ypso-Ionic uses a first-principles mechanistic modelling approach rather than simplified empirical correlations or purely data-driven models. The engine is built on four physico-chemical foundations:

1. Kinetics: Reaction and transport rates are incorporated to describe the formation, transformation, and consumption of species between solution and the chromatographic medium. Kinetics is described as one of the two factors that can worsen separation.
2. Hydrodynamics: Flow, mixing, and mass transfer are explicitly represented to account for spatial heterogeneities and transport limitations. The model links fluid dynamics with species distribution to support realistic scale-up and process design. Hydrodynamics is described as the other factor that can worsen separation.
3. Thermodynamics: Captures the behaviour of species within solution and their interactions with the chromatographic medium at equilibrium. Thermodynamics is described as the primary driver of separation.
4. Solution Chemistry: Represents chemical interactions occurring in solution, enabling accurate prediction of pH, conductivity, and ionic composition.

Buffer Preparation Tool

• Supports selection of an unlimited number of starting materials from a built-in database containing over 50 species and more than 50 common starting materials used in buffer preparation.
• The total quantity of buffer solution required can be entered in either mass or volume.
• Different target constraints can be specified, including pH, concentration, and conductivity.
• The tool generates a detailed recipe that can be shared with other users.
• A summary of calculated buffer properties is provided.