Template-directed radical polymerizations on solid supports are presented, which take advantage of complementary nucleoside interactions in non-polar solvents. The templates are prepared through copper-mediated living radical polymerization allowing control over the length and dispersity of the polymer bound to the support. We report a degree of control over subsequent polymerization of a compl...

The density of states contains all informations on energetic quantities of a statistical system, such as the mean energy, free energy, entropy, and specific heat. As a specific application, we consider in this work a simple lattice model for heteropolymers that is widely used for studying statistical properties of proteins. For short chains, we have derived exact results from conformational enu...

We have carried out a theoretical investigation of the methylalkalimetal monomers CH3M and tetramers (CH3M)4 with M = Li, Na, K, and Rb and, for comparison, the methyl halides CH3X with X = F, Cl, Br, and I, using density functional theory (DFT) at BP86/TZ2P. Our purpose is to determine how the structure and thermochemistry (e.g., C-M bond lengths and strengths, oligomerization energies) of org...

The effect of structural constriction on molecular mobility is investigated by broadband dielectric spectroscopy (BDS) within three types of molecular arrangements: monomers, oligomers and self-assembled monolayers (SAMs). While disordered monomers exhibit a variety of cooperative and local relaxation processes, the constrained nanodomains of oligomers and highly ordered structure of monolayers...

The use of nanodiamonds as anticancer drug delivery vehicles has received much attention in recent years. In this theoretical paper, we propose using different esterification methods for nanodiamonds. The monomers proposed are 2-hydroxypropanal, polyethylene glycol, and polyglicolic acid. Specifically, the hydrogen bonds, infrared (IR) spectra, molecular polar surface area, and reactivity param...

This study reports a new phenomenon whereby the ionic content of random ionomer was increased by introduction hydrophobic modifier. In current study, synthesized from solution polymerization three vinyl monomers, which are polar monomers acrylonitrile (AN), glycidyl methacrylate (GMA), and monomer potassium 3-sulfopropyl (SPM), encountered an early phase separation problem when exceeded certain...

The integration of transmembrane (TM)-spanning regions of many channels and ion transporters is potentially compromised by the presence of polar and charged residues required for biological function. Although the two TMs of the ATP-gated ion channel subunit P2X2 each contain charged/polar amino acids, we found that each TM is efficiently membrane inserted when it is analysed in isolation, and u...