Experiment and molecular dynamics simulation of methylglyoxal aqueous solution under weak microwave irradiation

It is counter-intuitive that the density of methylglyoxal aqueous solution increases under weak microwave irradiation. This research does make sense as methylglyoxal is a familiar substance in both atmospheric environments and organisms. To solve the apparent mystery, microwave irradiation experiments with complementary ab initio calculations and molecular dynamics simulations were used. We find that this phenomenon is caused by the number of hydrogen bonds and the kinetics process changed by the external electric field. The results indicate that microwave radiation may have a potential impact on the atmospheric environment and even the organism.