The Use of Electrospray Mass Spectrometry to Determine Speciation in a Dynamic Combinatorial Library for Anion Recognition

The composition of a dynamic mixture of similar 2,2'-bipyridine complexes of iron(II) bearing either an amide (5-benzylamido-2,2'-bipyridine and 5-(2-methoxyethane)amido-2,2'-bipyridine) or an ester (2,2'-bipyridine-5-carboxylic acid benzylester and 2,2'-bipyridine-5-carboxylic acid 2-methoxyethane ester) side chain have been evaluated by electrospray mass spectroscopy in acetonitrile. The time taken for the complexes to come to equilibrium appears to be dependent on the counteranion, with chloride causing a rapid redistribution of two preformed heteroleptic complexes (of the order of 1 hour), whereas the time it takes in the presence of tetrafluoroborate salts is in excess of 24^^h. Similarly the final distribution of products is dependent on the anion present, with the presence of chloride, and to a lesser extent bromide, preferring three amide-functionalized ligands, and a slight preference for an appended benzyl over a methoxyethyl group. Furthermore, for the first time, this study shows that the distribution of a dynamic library of metal complexes monitored by ESI-MS can adapt following the introduction of a different anion, in this case tetrabutylammonium chloride to give the most favoured heteroleptic complex despite the increasing ionic strength of the solution. 

Characterisation of pavement profile heights using accelerometer readings and a combinatorial optimisation technique

Pavement surface profiles induce dynamic ride responses in vehicles which can potentially be used to classify road surface roughness. A novel method is proposed for the characterisation of pavement roughness through an analysis of vehicle accelerations. A combinatorial optimisation technique is applied to the determination of pavement profile heights based on measured accelerations at and above the vehicle axle. Such an approach, using low-cost inertial sensors, would provide an inexpensive alternative to the costly laser-based profile measurement vehicles. The concept is numerically validated using a half-car roll dynamic model to infer measurements of road profiles in both the left and right wheel paths.

Combinatorial Frequency Generation in Quasi-Periodic Stacks of Nonlinear Dielectric Layers

Three-wave mixing in quasi-periodic structures (QPSs) composed of nonlinear anisotropic dielectric layers, stacked in Fibonacci and Thue-Morse sequences, has been explored at illumination by a pair of pump waves with dissimilar frequencies and incidence angles. A new formulation of the nonlinear scattering problem has enabled the QPS analysis as a perturbed periodic structure with defects. The obtained solutions have revealed the effects of stack composition and constituent layer parameters, including losses, on the properties of combinatorial frequency generation (CFG). The CFG features illustrated by the simulation results are discussed. It is demonstrated that quasi-periodic stacks can achieve a higher efficiency of CFG than regular periodic multilayers.

Quasi-periodic stacks of semiconductor layers: Combinatorial frequency generation

The nonlinear scattering and combinatorial frequency generation by the quasi-periodic Fibonacci and Thue-Morse stacks of semiconductor layers have been investigated taking into account the nonlinear charge dynamics. It has been shown that the mixing processes in passive semiconductor structures are driven by the competitive effects of the collision of charges and resonance interactions of carriers with pump waves. The effects of the stack arrangements and constituent layer parameters on the efficiency of the combinatorial frequency generation are discussed. 

A novel method of microsatellite genotyping-by-sequencing using individual combinatorial barcoding

This study examines the potential of next-generation sequencing based ‘genotyping-by-sequencing’ (GBS) of microsatellite loci for rapid and cost-effective genotyping in large-scale population genetic studies. The recovery of individual genotypes from large sequence pools was achieved by PCR-incorporated combinatorial barcoding using universal primers. Three experimental conditions were employed to explore the possibility of using this approach with existing and novel multiplex marker panels and weighted amplicon mixture. The GBS approach was validated against microsatellite data generated by capillary electrophoresis. GBS allows access to the underlying nucleotide sequences that can reveal homoplasy, even in large datasets and facilitates cross laboratory transfer. GBS of microsatellites, using individual combinatorial barcoding, is potentially faster and cheaper than current microsatellite approaches and offers better and more data.

Analogies between linguistics and information theory

An analogy is established between the syntagm and paradigm from Saussurean linguistics and the message and messages for selection from the information theory initiated by Claude Shannon. The analogy is pursued both as an end itself and for its analytic value in understanding patterns of retrieval from full text systems. The multivalency of individual words when isolated from their syntagm is contrasted with the relative stability of meaning of multi-word sequences, when searching ordinary written discourse. The syntagm is understood as the linear sequence of oral and written language. Saussureâ??s understanding of the word, as a unit which compels recognition by the mind, is endorsed, although not regarded as final. The lesser multivalency of multi-word sequences is understood as the greater determination of signification by the extended syntagm. The paradigm is primarily understood as the network of associations a word acquires when considered apart from the syntagm. The restriction of information theory to expression or signals, and its focus on the combinatorial aspects of the message, is sustained. The message in the model of communication in information theory can include sequences of written language. Shannonâ??s understanding of the written word, as a cohesive group of letters, with strong internal statistical influences, is added to the Saussurean conception. Sequences of more than one word are regarded as weakly correlated concatenations of cohesive units.

Molecular Computational Elements Encode Large Populations of Small Objects

Since the introduction of molecular computation1, 2, experimental molecular computational elements have grown3, 4, 5 to encompass small-scale integration6, arithmetic7 and games8, among others. However, the need for a practical application has been pressing. Here we present molecular computational identification (MCID), a demonstration that molecular logic and computation can be applied to a widely relevant issue. Examples of populations that need encoding in the microscopic world are cells in diagnostics or beads in combinatorial chemistry (tags). Taking advantage of the small size9 (about 1 nm) and large 'on/off' output ratios of molecular logic gates and using the great variety of logic types, input chemical combinations, switching thresholds and even gate arrays in addition to colours, we produce unique identifiers for members of populations of small polymer beads (about 100 m) used for synthesis of combinatorial libraries10, 11. Many millions of distinguishable tags become available. This method should be extensible to far smaller objects, with the only requirement being a 'wash and watch' protocol12. Our focus on converting molecular science into technology concerning analog sensors13, 14, turns to digital logic devices in the present work.

Scheduling and Platforming Trains at Busy Complex Stations

We consider the problem of train planning or scheduling for large, busy, complex train stations, which are common in Europe and elsewhere, though not in North America. We develop the constraints and objectives for this problem, but these are too computationally complex to solve by standard combinatorial search or integer programming methods. Also, the problem is somewhat political in nature, that is, it does not have a clear objective function because it involves multiple train operators with conflicting interests. We therefore develop scheduling heuristics analogous to those successfully adopted by train planners using ''manual'' methods. We tested the model and algorithms by applying to a typical large station that exhibits most of the complexities found in practice. The results compare well with those found by traditional methods, and take account of cost and preference trade-offs not handled by those methods. With successive refinements, the algorithm eventually took only a few seconds to run, the time depending on the version of the algorithm and the scheduling problem. The scheduling models and algorithms developed and tested here can be used on their own, or as key components for a more general system for train scheduling for a rail line or network.Train scheduling for a busy station includes ensuring that there are no conflicts between several hundred trains per day going in and out of the station on intersecting paths from multiple in-lines and out-lines to multiple platforms, while ensuring that each train is allowed at least its minimum required headways, dwell time, turnaround time and trip time. This has to be done while minimizing (costs of) deviations from desired times, platforms or lines, allowing for conflicts due to through-platforms, dead-end platforms, multiple sub-platforms, and possible constraints due to infrastructure, safety or business policy.

Graphs of relations and Hilbert series

We are discussing certain combinatorial and counting problems related to quadratic algebras. First we give examples which confirm the Anick conjecture on the minimal Hilbert series for algebras given by $n$ generators and $\frac {n(n-1)}{2}$ relations for $n \leq 7$. Then we investigate combinatorial structure of colored graph associated to relations of RIT algebra. Precise descriptions of graphs (maps) corresponding to algebras with maximal Hilbert series are given in certain cases. As a consequence it turns out, for example, that RIT algebra may have a maximal Hilbert series only if components of the graph associated to each color are pairwise 2-isomorphic.

Liquid source misted chemical deposition process of three-dimensional nano-ferroelectrics with substrate heating

A modification of liquid source misted chemical deposition process (LSMCD) with heating mist and substrate has developed, and this enabled to control mist penetrability and fluidity on sidewalls of three-dimensional structures and ensure step coverage. A modified LSMCD process allowed a combinatorial approach of Pb(Zr,Ti)O-3 (PZT) thin films and carbon nanotubes (CNTs) toward ultrahigh integration density of ferroelectric random access memories (FeRAMs). The CNTs templates were survived during the crystallization process of deposited PZT film onto CNTs annealed at 650 degrees C in oxygen ambient due to a matter of minute process, so that the thermal budget is quite small. The modified LSMCD process opens up the possibility to realize the nanoscale capacitor structure of ferroelectric PZT film with CNTs electrodes toward ultrahigh integration density FeRAMs.

K-Theory of non-linear projective toric varieties

We define a category of quasi-coherent sheaves of topological spaces on projective toric varieties and prove a splitting result for its algebraic K-theory, generalising earlier results for projective spaces. The splitting is expressed in terms of the number of interior lattice points of dilations of a polytope associated to the variety. The proof uses combinatorial and geometrical results on polytopal complexes. The same methods also give an elementary explicit calculation of the cohomology groups of a projective toric variety over any commutative ring.