Bakhtiyor Rasulev, research associate at the Center for Computationally Assisted Science and Technology, had a paper published in Chemistry of Materials.

The paper, titled “Zeta Potential for Metal Oxide Nanoparticles: A Predictive Model Developed by a Nano-Quantitative Structure–Property Relationship Approach,” was co-written by Rasulev, Alicja Mikolajczyk, Agnieszka Gajewicz, Bakhtiyor Rasulev, Nicole Schaeublin, Elisabeth Maurer-Gardner, Saber Hussain, Jerzy Leszczynski and Tomasz Puzyn.

According to Rasulev, physico–chemical characterization of nanoparticles in the context of their transport and fate in the environment is an important challenge for risk assessment of nanomaterials. One of the main characteristics that defines the behavior of nanoparticles in solution is zeta potential.

“In this paper, we have demonstrated the relationship between zeta potential and a series of intrinsic physico–chemical features of 15 metal oxide nanoparticles revealed by computational study,” Rasulev said. “It was shown that zeta potential depends on spherical size of nanomaterial and electron orbital energy.”

To view the paper, visit http://pubs.acs.org/doi/abs/10.1021/cm504406a.

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