Professor Styliani Constas Delivers Plenary Talk at FOMMS

Prof. S. Constas delivered a plenary talk at FOMMS (Foundation of Molecular Modeling and Simulation) Conference on July 20, 2022 at Delavan, Wisconsin. This is the first participation from Western at this prestigious conference. The talk was entitled "Chemistry in Small Volumes: Bridging Electrostatic Properties between Nanoscopic and Microscopic Droplets". It presented how the simulations allowed to unravel the mechanism of electrospray ionization mass spectrometry starting from the microscale droplets up to nanoscale.  In the presentation, the star-shaped droplets, the electrostatic confinement effect and the chain extrusion mechanisms discovered in the Consta lab were discussed.

Macroion (proteins, nucleic acids) -droplet interactions generated by computational modelling

Macroion (proteins, nucleic acids) -droplet interactions generated by computational modelling 

Former students Dr. Victor Kwan, Dr. Myong In Oh and Dr. Mahmoud Sharawy were acknowledged.

Relevant literature: 

Consta, S.. Manifestation of Rayleigh instability in droplets containing multiply charged macroions. The Journal of Physical Chemistry B, 114 (2010): 5263-5268.

Consta, Styliani, and Jun Kyung Chung. "Charge-induced conformational changes of PEG-(Na+) n in a vacuum and aqueous nanodroplets." The Journal of Physical Chemistry B 115.35 (2011): 10447-10455.

Consta, Styliani, and Anatoly Malevanets. "Manifestations of charge induced instability in droplets effected by charged macromolecules." Physical Review Letters 109.14 (2012): 148301.

Consta, Styliani, Myong In Oh, and Anatoly Malevanets. "New mechanisms of macroion-induced disintegration of charged droplets." Chemical Physics Letters 663 (2016): 1-12.

Malek, S. M., Kwan, V., Saika-Voivod, I., & Consta, S.. "Low density interior in supercooled aqueous nanodroplets expels ions to the subsurface." Journal of the American Chemical Society 143 (2021):  13113-13123

Kwan, V., Maiti, S. R., Saika-Voivod, I., & Consta, S.  "Salt enrichment and dynamics in the interface of supercooled aqueous droplets."  Journal of the American Chemical Society, 144 (2022): 11148-11158.