Peeling phylogenetic ‘oranges’

We investigate the combinatorics of a topological space that is generated by the set of edge-weighted finite trees. This space arises by multiplying the weights of edges on paths in trees and is closely connected to tree reconstruction problems involving finite state Markov processes. We show that this space is a contractible finite CW-complex whose face poset can be described via a partial order on semilabelled forests. We then describe some combinatorial properties of this poset, showing that, for example, it is pure, thin and contractible.     

Supramolecular isomerism in coordination compounds: nanoscale molecular hexagons and chains

A nanoscale supramolecular hexagon, 1, and its supramolecular isomeric chain structure, 2, have been prepared from self-assembly of 5-NO2-bdc and Cu(II) cations. The hexagon is neutral and soluble and has outer and inner diameters of 3.1 and 0.8 nm, respectively.     

Crystal engineering of novel cocrystals of a triazole drug with 1,4-dicarboxylic acids

Cocrystals of the poorly soluble antifungal drug cis-itraconazole (1) with 1,4-dicarboxylic acids have been prepared. The crystal structure of the succinic acid cocrystal with 1 was determined to be a trimer by single-crystal X-ray. The trimer is comprised of two molecules of 1 oriented in antiparallel fashion to form a pocket with a triazole at either end. The extended succinic acid molecule fills the pocket, bridging the triazole groups through hydrogen-bonding interactions rather than interacting with the more basic piperazine nitrogens. The solubility and dissolution rate of some of the cocrystals are approximately the same as those of the amorphous drug in the commercial formulation and are much higher than those for the crystalline free base. The results suggest that cocrystals of drug molecules have the possibility of achieving the higher oral bioavailability common for amorphous forms of water-insoluble drugs while maintaining the long-term chemical and physical stability that crystal forms provide.     

Delocalized quasiparticles in the vortex state of an overdoped high-T(c) superconductor probed by 63Cu NMR

We report the spin Knight shift (K(s)) and the nuclear spin-lattice relaxation rate (1/T1) in the vortex state as a function of magnetic field (H) up to 28 T in the high-Tc superconductor TlSr2CaCu2O6.8 (Tc = 68 K). At low temperatures well below Tc, both K(s) and 1/T1 measured around the middle point between the two nearest vortices (saddle point) increase substantially with increasing field, which indicate that the quasiparticle states with an ungapped spectrum are extended outside the vortex cores in a d-wave superconductor. The density of states (DOS) around the saddle point is found to be kappaN(0)square root[H/H(c2)], with kappa = 0.5-0.7 and N0 being the normal-state DOS.     

Crystal engineering of the composition of pharmaceutical phases

The carboxylic acid-pyridine supramolecular heterosynthon can be exploited to predictably generate binary crystalline phases involving rac-ibuprofen, rac-flurbiprofen or aspirin.     

Template synthesis and single-molecule magnetism properties of a complex with spin S = 16 and a [Mn8O8]8+ saddle-like core

The compound [CeIVMnIII8O8(O2CMe)12(H2O)4].4H2O (1.4H2O) has been obtained from a template synthesis involving the reaction of the chain polymer {[MnIII(OH)(O2CMe)2] .(MeCO2H).(H2O)}n (3) with Ce(IV). Compound 1 contains a MnIII8 loop inside which is held the Ce(IV) ion by the bridging oxide ions. Magnetization and magnetic susceptibility studies establish that 1 has an S = 16 spin ground state, the largest yet for a Mn cluster, and displays the slow magnetization relaxation and hysteresis behavior of a single-molecule magnet (SMM). It is thus the highest spin Mn SMM discovered to date.     

Critical points in heavy ion irradiated untwinned YBa(2)Cu3O(7-delta) crystals

The critical points in untwinned YBa(2)Cu(3)O(7-delta) crystals with dilute columnar defects are investigated. We find a convergence of a first order vortex melting line with an irreversibility line associated with the onset of the Bose glass critical regime at the lower critical point. In addition, we find that columnar defects raise the upper critical point, implying that vortex line meandering is a basic feature controlling its position.     

PERSISTENCE IN AN AGE-STRUCTURED POPULATION FOR A PATCH-TYPE ENVIRONMENT

A discrete-time model for an age-structured population in a patch-type environment is presented and analyzed. Comparison techniques for difference equations are used to find sufficient conditions for population persistence or extinction. The persistence and extinction theorem is used to define the critical patch number, the threshold for population persistence. Several examples are presented which illustrate the results of the theorems. The model is applied to a watersnake population.     

Electro‐oxidation and reduction of H2 on platinum studied by scanning electrochemical microscopy for the purpose of local detection of H2 evolution

Electrochemical detection of H₂ using scanning electrochemical microscopy (SECM) has shown to hold great promise as a sensitive characterization method with high spatial resolution for active surfaces generating H₂. Herein, the factors contributing to the current that is measured by SECM in generation/collection mode for H₂ detection are studied. In particular, the concentration gradient of H₂ at the substrate, the H₂/H⁺ recycling between the SECM tip and substrate and hemispherical profile of H₂ diffusion has been discussed. It was postulated that H₂/H⁺ recycling plays a dominant role in the oxidative current measured in generation/collection mode of SECM when the microelectrode is positioned in close vicinity of substrate. Copyright © 2015 John Wiley & Sons, Ltd.