We applied microreactors to the three following reactions: a consecutive bromination reaction, the two-step Sandmeyer reaction, and an acetylation reaction including solvent effects. We obtained the reaction rate constants from few experimental data or quantum chemical calculations and optimized the reaction conditions such as the reaction times and temperature. We then experimentally validated them by microreactors. A consecutive bromination reaction, where the objective reaction was followed by the side reaction, was one of the processes. The reaction temperature played an important role in the effects of a microreactor. The yield of the objective product was improved by about 40% using a microreactor. The two-step Sandmeyer reaction was also applied, where the 1st-step reaction was followed by the 2nd-step reaction to produce the objective product. The 1st-step reaction had the diffusion-controlled process, while the 2nd-step reaction had the reaction-controlled one. The yield of the objective product was improved when microreactors were used and the reaction time for the 2nd-step reaction was set appropriately. Moreover, an acetylation reaction including solvent effects on reaction rates was considered and the solvent effects could be predicted from quantum chemical calculations. The calculation suggested that acetic acid with the larger electron-accepting property gave more stability to the species formed in the transition state. The reaction time was shortened using a microreactor, when the reaction process was changed from reaction-controlled to diffusion-controlled by changing the solvent used.
Assessment of DNA damage with an adapted independent reaction time approach implemented in Geant4‐DNA for the simulation of diffusion‐controlled reactions between radio‐induced reactive species and a chromatin fiber
