High-throughput manual parallel synthesis using SynPhase crowns and lanterns

The high-throughput manual solid-phase parallel synthesis of libraries comprising thousands of discrete samples using pellicular supports (i.e. SynPhase crowns and lanterns) and a suite of novel tools and techniques is described. Key aspects of this approach include the combination of a split-split-split synthesis strategy with spatial encoding to differentiate thousands of crowns, the rapid washing and filtration of up to 48 reaction vessels in parallel, the application of an inexpensive and environmentally friendly technique to remove trifluoroacetic acid from sixteen 96-well plates in parallel, and a high-throughput method for removing cleaved crowns from reusable pin racks. Tens of thousands of discrete samples have been produced in-house using this conceptually and operationally straightforward strategy.     

Magnetic properties of iron oxides produced by bacterial oxidation of Fe2+ under acid conditions

Iron oxides synthesized under acid conditions in a bioreactor using the bacteriumThiobacillus ferrooxidans or formed in nature under similar conditions resemble relatively “well”-crystallized ferrihydrites. Mössbauer spectra, however, show up significant differences between these and ferrihydrites, indicating sulfate to play a major role in determining the properties of the bacterial samples.     

Near-pole polar diagram of objects and duality

The polar diagram of a set of points in a plane and its extracted dual EDPD were recently introduced for static and dynamic cases. In this paper, the near-pole polar diagram NPPD for a set of points is presented. This new diagram can be considered as a generalization of the polar diagram and has applications in several communication systems and robotics problems. After reviewing the NPPD of points, we solve the problem for a set of line segments and simple polygons in optimal time Θ(n log n), where n is the number of line segments or polygon vertices. We introduce duality for the NPPD of points and identify some applications.     

Converging Branch Multi-Stage Production Schedules with Finite Production Rates and Start-up Delays

This article considers scheduling production in a multi-stage system with converging branches and assumes an infinite time horizon, deterministic parameters, finite production rates, and constant lot sizes at each stage. The objective is the minimization of total time-averaged setup-shutdown and holding cost.The interdependence of successive stages is accounted for by delaying the initial startup at one stage relative to that at its immediate predecessors, to prevent shortages between the stages. Analytical expressions are found for such delay times and written under an "integer multiple" assumption on the cycle times at adjacent stages. Total cost is then minimized for a given set of integer multiples, and a heuristic search procedure for finding the optimal integer multiple values is described. Extensions of this procedure are then discussed.     

Competitive reactions among three monomers over a catalytic surface

We studied in this work a three-monomer reaction model on one- and two-dimensional lattices. We have taken different reactivity rates among pairs of monomers and the reaction between two selected monomers was forbidden. We have employed the mean field and the pair approximation to decouple the equations of motion for the densities of single and pairs of monomers. We found the stationary states and the phase diagram of the model. We have shown that, in two dimensions and within the pair approximation, there is a first-order transition line between active and poisoned steady states.     

4-Cyanopyridine and amide-N and amide-O linkage isomers of 4-pyridinecarboxamide on trans-chloro(1,4,8,11-tetraazacyclotetradecane)ruthenium(II/III)

The synthesis, UV-vis spectra, and electrochemical behavior of the nitrile-bonded trans-[Ru(II)Cl(cyclam)(4-NCpyH(+))](BF(4))(2) (4-Ncpy = 4-cyanopyridine; cyclam = 1,4,8,11-tetraazacyclotetradecane) and of trans-[Ru(III)Cl(cyclam)(NHC(O)-4-pyH(+))](2+) are described. The UV-vis spectrum of the Ru(II) nitrile complex shows a MLCT band at 548 nm at pH 1, which is shifted to 440 nm at pH approximately 6, for the unprotonated species. trans-[Ru(II)Cl(cyclam)(4-NCpyH(+))](2+) was electrolytically oxidized (+600 mV vs Ag/AgCl) at pH 1 to Ru(III), followed by hydrolysis (k = 0.25 s(-1)) of the coordinated nitrile to give trans-[Ru(III)Cl(cyclam)(NHC(O)-4-pyH(+))](2+), in which the amide is deprotonated and coordinated through nitrogen. The identity of the species is pH dependent, the nitrogen-bonded amide prevailing at low pH (< 7), but the oxygen-bonded amide is formed through linkage isomerization at higher pH (>8). Reduction of trans-[Ru(III)Cl(cyclam)(NHC(O)-4-pyH)](2+) in acidic media does not result in fast aquation (k = approximately 2.4 x 10(-5) s(-1)) as for other amides on ruthenium(II) pentaammine, but instead linkage isomerization occurs, resulting in the oxygen-bonded species, with an estimated rate constant of approximately 2 x 10(-2) s(-1), smaller than in the pentaammine analogues.