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 complementary base pair monomer in the presence of the template not observed in its absence. Templates achieved from uridine, adenosine, cytidine and guanosine substituted methacrylate monomers were successfully prepared. Uridine derived templates were found to provide good fidelity of replication by incorporating mainly adenosine monomer in the final polymer, from a mixture of monomers. The latter was separated from its template and characterized demonstrating the preparation of polymers of approximately half of the template length. A model for the templating process is proposed.

Automated computational docking of large libraries of chemical compounds to a protein can aid in pharmaceutical drug design and gives scientists with basic computer experience a tool to help plan wet laboratory investigations when exploring the combination of chemical and pharmacological spaces. The use of open source tools to develop and select ligands for subsequent screening is outlined. A protocol leveraging the power of Open Babel and AutoDock Vina to perform file conversion, minimization, and docking implemented as a Python script is offered.Keywords: Biochemistry; Chemoinformatics; Collaborative/Cooperative Learning; Discovery Learning; Drugs/Pharmaceuticals; Graduate Education/Research; Medicinal Chemistry; Upper-Division Undergraduate;

Selective oxidation of ω-tertiary amine self-assembled thiol monolayers to tertiary amine N-oxides is shown to transform the adhesion of model proteins lysozyme and fibrinogen upon them. Efficient preparation of both secondary and tertiary linker amides as judged by X-ray photoelectron spectroscopy (XPS) and water droplet contact angle was achieved with an improved amide bond formation on gold quartz crystal microbalance (QCM) sensors using 2-(1H-7-azabenzotriazol-1-yl)-1,1,3,3-tetramethyl hexafluorophosphate methanaminium uronium (HATU). Oxidation with hydrogen peroxide was similarly assessed, and adhesion of lysozyme and fibrinogen from phosphate buffered saline was then assayed by QCM and imaged by AFM. Tertiary amine-functionalized sensors adsorbed multilayers of aggregated lysozyme, whereas tertiary amine N-oxides and triethylene glycol-terminated monolayers are consistent with small protein aggregates. The surface containing a dimethylamine N-oxide headgroup and ethyl secondary amide linker showed the largest difference in adsorption of both proteins. Oxidation of tertiary amine decorated surfaces therefore holds the potential for selective deposition of proteins and cells through masking and other patterning techniques.

We demonstrate that ca. 5 nm nanodiamond particles dramatically improve triglyceride lipid removal from a hydrophobic surface at room temperature using either anionic or nonionic surfactants. We prepare nanodiamond–surfactant colloids, measure their stability by dynamic light scattering and use quartz crystal microbalance–dissipation, a technique sensitive to surface mass, in order to compare their ability to remove surface–bound model triglyceride lipid with ionic and nonionic aqueous surfactants at 15–25 °C. Oxidized, reduced, ω-alkylcarboxylic acid, and ω-alkylamidoamine surface-modified adducts are prepared, and then characterized by techniques including 13C cross-polarization (CP) magic-angle spinning (MAS) NMR. Clear improvement in removal of triglyceride was observed in the presence of nanodiamond, even at 15 °C, both with nanodiamond–surfactant colloids, and by prior nanoparticle deposition on interfacial lipid, showing that nanodiamonds are playing a crucial role in the enhancement of the detergency process, providing unique leads in the development of new approaches to low-temperature cleaning.Keywords: detergency; lipid removal; nanodiamond; QCM with dissipation monitoring (QCM-D); quartz crystal microbalance (QCM); surfactant; tristearin; zeta potential;

We demonstrate the expected preference of an immobilised oligosaccharide Man9(GlcNAc)2 upon a 96-well photochemical array, for its known receptor, the cell-surface lectin Dendritic Cell-Specific ICAM3 Grabbing Nonintegrin (DC-SIGN) when compared to immobilised competing monosaccharides.

Analysis of stepwise association constants for guests binding to more than one site in a receptor is expected to give a ratio of the first association constant to the second of about 4 : 1 on statistical grounds (since a second guest should have an equal chance of binding to a different site on the same, or a new molecule). Taking account of self-association in our analysis of a system in which the binding sites are close together, we observe a ratio closer to 1 : 1, indicative of non-statistical, or cooperative binding. The longer homologue built around two alkynes displays a very different ratio of stepwise association constants of about 7 : 1. We discuss the origins of this unusual behaviour in terms of steric interactions within the receptors and their corresponding complexes with guanosine derivatives.

We show that the use of multiple photochemistries is necessary to ensure diverse immobilisation of small molecules for binding of polypeptides using phage display and antibody libraries.

Short and high-yielding syntheses of enantiomerically pure (S)-(+) and (R)-(−)-abscisic acid are described. The syntheses proceed through key intermediates that preferentially recrystallise as single diastereoisomers for each enantiomer. This route allows the preparation of either enantiomer of abscisic acid in ca. 30% overall yield, and as demonstrated, gives access to an enantiomerically pure abscisic acid analogue.

Copper(I) mediated radical polymerisation is used to polymerise uridine and adenosine substituted methacrylates onto a silica surface giving supported polymers with potential as re-usable templates and for interaction with nucleic acids.

Analysis of stepwise association constants for guests binding to more than one site in a receptor is expected to give a ratio of the first association constant to the second of about 4 : 1 on statistical grounds (since a second guest should have an equal chance of binding to a different site on the same, or a new molecule). Taking account of self-association in our analysis of a system in which the binding sites are close together, we observe a ratio closer to 1 : 1, indicative of non-statistical, or cooperative binding. The longer homologue built around two alkynes displays a very different ratio of stepwise association constants of about 7 : 1. We discuss the origins of this unusual behaviour in terms of steric interactions within the receptors and their corresponding complexes with guanosine derivatives.

We show that the use of multiple photochemistries is necessary to ensure diverse immobilisation of small molecules for binding of polypeptides using phage display and antibody libraries.