Modeling Analyte Transport and Capture in Porous Bead Sensors

High sensitivity and analyte capture with desorption/ionization mass spectrometry on silylated porous silicon.

Silylation chemistry on porous silicon provides for ultrahigh sensitivity and analyte specificity with desorption/ionization on silicon mass spectrometry (DIOS-MS) analysis. Here, we report that the silylation of oxidized porous silicon offers a DIOS platform that is resistant to air oxidation and acid/base hydrolysis. Furthermore, surface modification with appropriate hydrophobic silanes allow...

Molecular modeling of polymer composite-analyte interactions in electronic nose sensors.

We report a molecular modeling study to investigate the polymer-carbon black (CB) composite-analyte interactions in resistive sensors. These sensors comprise the JPL electronic nose (ENose) sensing array developed for monitoring breathing air in human habitats. The polymer in the composite is modeled based on its stereoisomerism and sequence isomerism, while the CB is modeled as uncharged napht...

Modeling ion transport mechanisms in unsaturated porous media

“Coarse Grained" Bead Modeling of Macromolecules Transport in Free Solution and in a Gel

The modeling of transport behavior of charged particles carried out in our laboratory is based on classical continuum electro kinetic theory. It is applied to a variety of systems from small electrolyte ions to macromolecules including peptides, DNA and nanoparticles. Systems range from weakly charged particles to highly charged ones. Transport properties studied include conductance, electropho...

Bead Modeling of Transport Properties of Macromolecules in Free Solution and in a Gel