1. Biomimetic Synthesis of Natural Products

1) Studies of the Biomimetic Total Synthesis of Providencin.

Key paper: Org. Lett. 2019, 21, 1243–1247.

The unique structure of furanocembranoid natural product providencin has provoked biosynthetic hypotheses, especially in respect of the formation of its cyclobutanol ring. One such hypothesis for the formation of providencin involves a photochemically-induced Norrish-Yang cyclisation in bipinnatin E. We used quantum chemical calculations to assess the feasibility and the stereochemical outcome of this proposed biosynthetic transformation.

2) Thermal and Photochemical Mechanisms for Cyclobutane Formation in Bielschowskysin Biosynthesis. 

Key paper: Synlett, 2015, 26, 501-507

Bielschowskysin is a complex furanocembranoid natural product, exhibiting impressive antiplasmodial and anticancer activity. The structure and biological profile of bielschowskysin, coupled with its natural scarcity, have provoked a number of biosynthetic hypotheses. Quantum chemical calculations provide a means to assess the feasibility of postulated mechanisms in the construction of this unusual carbon skeleton. We use calculations to biosynthesis of bielschowskysin in nature.  

2. Computational Studies for CO₂ Reduction Reactions for Small Molecular Fuels

Fossil fuels (coal, oil and natural gas) are the main energy sources and the primary raw material sources for chemical industry. However, these are natural gifts are unrenewable energy resources. The society is facing challenging problems caused by over consumption of fossil fuels, i.e. decreased easily accessible fossil fuels and increased release of carbon dioxide (CO₂), leading to serious environmental problems. We aim to contribute to solving this challenging, by developing technology to convert atmospheric CO₂ into useful fuels, through a theoretical investigation and experiment combined approach.

3. Computational Studies of Novel Reaction Mechanisms

Mechanistic studies using quantum chemical calculations by working with experiment research groups. 

1) Gold-Catalyzed Reactions:Eur.J.Org. Chem. 2017, 11, 1561-1565;

2) Copper-catalyzed Reactions:Green Chem. 2017, 19, 4509-4514;

3) DFT Study of Pericyclic Reactions for Natural Product Synthesis: Nature Communications, 2018, 9, 4040-4046; 

• Physical and Process Chemistry
• Engineering Principles 1
• Heat and Mass Transfer
• Interfacial Chemistry
• Analytical Measurement
• Academy Organic Chemistry
• An Introduction to Organic Molecules and their Reactivity