Quality and regulatory issues are an important part in the prolongation of a chemical from the laboratory to the final product, especially in the pharma and consumer products industry, but also elsewhere. The underlying issues of both aspects arise from physical phenomena that can be well understood and predicted with molecular modeling.  Digital technologies and materials simulations in particular offer the appropriate tools to achieve several of the required targets and more specifically those related to developing and selecting efficient but approved additives, and packaging materials. Dr. David Kane from Rocket research, formerly from ALCS (Altria Client Services) will talk about these points in his presentation for this webinar. Additionally, we will demonstrate, how SCIENOMICS materials simulation technology and research services support the industry to reach their goals in all aspects where the chemistry involved plays a central role in the quality, shelf life and regulatory safety of the product.

SCIENOMICS will present scenarios, where Materials Simulations have been used in virtual experiments to design products which perform well with respect to regulatory issues and quality requirements.

Anyone interested in regulatory issues, and product shelf life will benefit from this free webinar and Q&A session. We will be pleased to have you with us!

The examples presented will demonstrate how to translate a real-life problem into a simulation workflow applied on the digital twin of the product of interest. In particular:

• Flavor scalping of flavor and fragrant molecules
• Regulatory issues in selecting stabilizing agents for emulsions
• Long term shelf life stability of materials

Abstract of the presentation of Dr. David Kane (Rocket research):

Addressing Regulatory and Quality Related Shelf-Life Issues with Materials Modeling

In pharma and consumer products a number of quality and regulatory issues arise from physical phenomena that can be understood and predicted with molecular modeling.  This presentation examines the use of molecular modeling tools in understanding and predicting product quality changes during shelf life. Flavor loss from a consumer product is used as an example and the use of molecular modeling to determine the permeability of different materials is discussed. In this context it is shown how the permeability can be used to estimate flavor loss during shelf life.

Encapsulation of limonene in a pluronic L64 membrane.

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