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Job Description:

Purpose of the Role His/her primary role is to utilize computational chemistry predictive data sets based on molecular behavior (Solubility, stability, compatibility to other ingredients) to guide and carry out real-world wet lab experimental work.

This synergistic approach uses "computational" and "wet" lab strategy to rapidly generate and validate computational scientific insights.

In addition, the aim of the role is to also provide clear and concise theoretical insights through detailed reaction mechanisms which are further subjected to wet lab validation of radical mediated oxidations via: fundamental mechanisms: Hydrogen Atom Transfer (HAT), Single Electron Transfer (SET), and Radical Adduct Formation (RAF) in simplex systems. Furthermore, the role also requires building and validating proof of specific oxidative transformations that include autoxidation, peroxide-mediated reactions, metal ion catalysis reactions involved in active stability. As a next step, the chemist is further responsible to discover new technical solutions aimed to inhibit oxidative radical reactions in active molecules, based on novel radical quenchers, antioxidants, chelators and reducing agents. The experimental handbook generated from the extensive wet lab studies are finally transferred to our formulators to validate the final technical tool-box solutions in real world formulation environments.

The overall goal to initiate stability studies is to predict the active molecule’s shelf life and ensure it remains effective and safe over time. By understanding how an active molecule behaves under various conditions, the formulator can avoid potential alerts in later stages of formulation development.

Basic Responsibilities

Theoretical