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Full-Text Articles in Chemistry

Substituent Effects On The Solubility And Electronic Properties Of The Cyanine Dye Cy5: Density Functional And Time-Dependent Density Functional Theory Calculations, Austin Biaggne, William B. Knowlton, Bernard Yurke, Jeunghoon Lee, Lan Li Feb 2021

Substituent Effects On The Solubility And Electronic Properties Of The Cyanine Dye Cy5: Density Functional And Time-Dependent Density Functional Theory Calculations, Austin Biaggne, William B. Knowlton, Bernard Yurke, Jeunghoon Lee, Lan Li

Materials Science and Engineering Faculty Publications and Presentations

The aggregation ability and exciton dynamics of dyes are largely affected by properties of the dye monomers. To facilitate aggregation and improve excitonic function, dyes can be engineered with substituents to exhibit optimal key properties, such as hydrophobicity, static dipole moment differences, and transition dipole moments. To determine how electron donating (D) and electron withdrawing (W) substituents impact the solvation, static dipole moments, and transition dipole moments of the pentamethine indocyanine dye Cy5, density functional theory (DFT) and time-dependent (TD-) DFT calculations were performed. The inclusion of substituents had large effects on the solvation energy of Cy5, with pairs of …


In Depth Characterisation Of The Biomolecular Coronas Of Polymer Coated Inorganic Nanoparticles With Differential Centrifugal Sedimentation, André Perez-Potti, Hender Lopez, Beatriz Pelaz, Abuelmagd Abdelmonem, Mahmoud G. Soliman, Ingmar Schoen, Philip M. Kelly, Kenneth A. Dawson, Wolfgang J. Parak, Zeljka Krpetic, Marco P. Monopoli Jan 2021

In Depth Characterisation Of The Biomolecular Coronas Of Polymer Coated Inorganic Nanoparticles With Differential Centrifugal Sedimentation, André Perez-Potti, Hender Lopez, Beatriz Pelaz, Abuelmagd Abdelmonem, Mahmoud G. Soliman, Ingmar Schoen, Philip M. Kelly, Kenneth A. Dawson, Wolfgang J. Parak, Zeljka Krpetic, Marco P. Monopoli

Articles

Advances in nanofabrication methods have enabled the tailoring of new strategies towards the controlled production of nanoparticles with attractive applications in healthcare. In many cases, their characterisation remains a big challenge, particularly for small-sized functional nanoparticles of 5 nm diameter or smaller, where current particle sizing techniques struggle to provide the required sensitivity and accuracy. There is a clear need for the development of new reliable characterisation approaches for the physico-chemical characterisation of nanoparticles with significant accuracy, particularly for the analysis of the particles in the presence of complex biological fluids. Herein, we show that the Differential Centrifugal Sedimentation can …