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 & Wet Chemistry Experimental Laboratory work:

Determine inherent physicochemical properties of active molecules such as solubility, stability, and compatibility with other ingredients and molecules as well as the active molecule’s behavior under different real-time stress conditions like temperature, humidity and light.

Reaction Mechanisms:

Propose reaction mechanisms/ theoretical conjecture using step by step sequence of elementary reactions for active molecules based on structural configurations, physic-chemistry descriptors and classical Organic chemistry reactions rules and implement basic reactions in the laboratory.

Propose and validate the impact of radical mediated oxidations on active molecules often initiated via: fundamental mechanisms: HAT, SET and RAF that occur at a molecular level, including electron movement and transition states, which is vital for proposing and understanding new oxidative transformations.

Reaction types:

Theoretical knowledge and hands on wet laboratory experience in carrying out general types of Organic reactions, additions, eliminations, substitutions, and rearrangements, as well as specific redox (oxidation/reduction) and pericyclic reactions.

Transformation Reactions:

Theoretical knowledge and practical expertise in carrying out targeted oxidative transformation reactions using azobisisobutyronitrile (AIBN) or ABTS as a radical initiator for peroxyl radicals to study the oxidative stability of active molecules, mimicking real-time conditions in aqueous systems.

Propose new technical solutions to inhibit radical mediated transformations and stabilize active molecules in simplex simulated environments.

Measures of Success(Define the Outcomes expected of the role) Successful validation of theoretical hypothesis from elementary reactions and in silico computational tools to solid-liquid state experiments at laboratory level.

Transfer of experimental solutions from basic reactions to simplex systems and demonstrate high level of stability and compatibility of the active molecules.

Secure IP through inventions and technical breakthroughs and build scientific publications to enable strong scientific communication and exclusivity for the group.

Technical Skills / Experience / Certification (If any) Chemistry skills: Expertise in retrosynthetic analysis, reaction design, Organic reaction mechanism elucidation and computational knowledge and interpretation.

Analytical skills: Characterization of organic compounds, requiring expertise in techniques like chromatography (HPLC, GC), spectroscopy (NMR, MS, IR), CW-EPR: expertise to analyze absorption spectrum of unpaired electrons, identify paramagnetic species, determine structure/environment by observing magnetic field sweeps.

Software Proficiency: ChemDraw, Chemsketch, data analysis tools, simulation software

Requirements:

Experience: 5-8 years, MSc, MTech or PhD level

Competencies critical for role with High Proficiency

Proficiency in core organic chemistry techniques and instrumentation is fundamental. Mix of advanced technical laboratory skills, strong analytical and problem-solving abilities,

Open and clear communication and ability to work in a diverse multi-talented team environment.

Ability to generate captive and IP driven solutions for the group. Project management skills and writing skills for Research and patent publications.

Must have Qualification Msc, MTech or PhD (Organic chemistry)

Over All experience in role，5-8 years

Relevant Experience with respect to the role Organic chemistry and basic analytical chemistry background for interpretation of results.

Preferred Industry(If any)：Academics- School of chemistry, Pharmaceutical industry, FMCG, etc

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