everything inspiring including computational and theoretical chemistry with inclination to experimental verifications
Nowadays I am involved in three types of projects.
Screening of co-crystals: recently we have found that orientation samples offer quite interesting approach for new molecular compounds synthesis in the slid state. The simple droplet evaporation method was found to be efficient, robust, fast and cost-preserving approach for first stage co-crystal screening. Additionally, the application of orientation effect to co-crystal screening simplifies the analysis due to damping of majority of diffraction signals coming from co-formers.
See for details: 10.1007/s00894-015-2599-z , 10.1007/s11224-014-0528-x
This encompasses both practical and theoretical screening. The last aspect is currently under detailed scrutiny.
Ab initio crystals structure prediction and characteristics.
See for details: 10.1007/s00894-015-2635-z, 10.1002/crat.201300197, 10.1007/s00894-014-2276-7
Epigenetic modifications of DNA bases. This exciting aspect has very important practical implications and this project intends to provide chemical rationale of observed biochemical consequecnes.
See for details: 10.1039/C5CP02188J
Please let me know if any new cooperation is possible.
Distinguishing Cocrystals from Simple Eutectic Mixtures: Phenolic Acids as Potential Pharmaceutical Coformers