Influence of Polarity and Activation Energy in Microwave–Assisted Organic Synthesis (MAOS)

The aim of this work was to determine the parameters that have decisive roles in microwave-assisted reactions and to develop a model, using computational chemistry, to predict a priori the type of reactions that can be improved under microwaves. For this purpose, a computational study was carried out on a variety of reactions, which have been reported to be improved under microwave irradiation. This comprises six types of reactions. The outcomes obtained in this study indicate that the most influential parameters are activation energy, enthalpy, and the polarity of all the species that participate. In addition to this, in most cases, slower reacting systems observe a much greater improvement under microwave irradiation. Furthermore, for these reactions, the presence of a polar component in the reaction (solvent, reagent, susceptor, etc.) is necessary for strong coupling with the electromagnetic radiation. We also quantified that an activation energy of 20–30 kcal mol⁻¹ and a polarity (μ) between 7–20 D of the species involved in the process is required to obtain significant improvements under microwave irradiation.     

Kuratowski Convergence of Holomorphic Functions

The notion of Kuratowski convergence is applied to describe a kind of convergence in the context of holomorphic functions. We associate it to a convenient topology, explore its relation with the compact-open topology, thus providing a new set theoretic point of view of this classic topology, and present it in the framework of set-valued mappings.     

Territories,corridors, and networks: A biological model for the premodern state

When depicted on maps as homogenous territorial wholes, ancient states are visually summarized as static entities in a way that conceals the highly fluid dynamics of polity formation, maintenance, and growth. Models derived from studies of animal behavior show that “territory” does not consist of an undifferentiated use of the landscape. Instead, the concept of territory can be parsed into a series of resource‐rich nodes linked by corridors of access, surrounded by unutilized regions and boundaries marked at points of competition. Ancient human groups also can be analyzed as having perceived and occupied landscapes through strategies of flexible networks in which nodes and corridors were surrounded by unutilized spaces around which boundaries were selectively identified and defended. This strategy is identifiable in human social groups at different levels of complexity ranging from hunter‐gatherers through ancient chiefdoms and states. © 2007 Wiley Periodicals, Inc. Complexity 12: 28–35, 2007     

Neuropeptide imaging on an LTQ with vMALDI source: The complete ‘all-in-one’ peptidome analysis

Direct tissue imaging was performed on dissected insect tissue using a MALDI ion trap to visualize endogenous neuropeptides. Coupling tissue imaging to tandem MSⁿ allows for the identification of previously known species and the ability to identify new ones by de novo sequencing, as searchable databases for insects are sparse. Direct tissue imaging is an attractive technique for the study of neuropeptides as minimal sample preparation is required prior to mass spectrometry. We successfully identified neuropeptides present in the corpora cardiaca and allata of Acheta domesticus (the house cricket). Diagnostic fragments at low m/z were used to distinguish between lipids and neuropeptides. The distribution of peptides appears to be more differentially localized than that of phospholipids, which seem to be more evenly distributed within the tissue.     

α-Fe2O3-In2O3 mixed oxide nanoparticles synthesized under hydrothermal supercritical conditions

α-Fe₂O₃-In₂O₃ mixed oxide nanoparticles system has been synthesized by hydrothermal supercritical and postannealing route, starting with (1−x)Fe(NO₃)₃·9H₂O·xIn(NO₃)₃·5H₂O aqueous solution (x=0-1). X-ray diffraction and Mössbauer spectroscopy have been used to study the phase structure and substitutions in the nanosized samples. The concentration regions for the existence of the solid solutions in the α-Fe₂O₃-In₂O₃ nanoparticle system together with the solubility limits of In³⁺ ions in the hematite lattice and of Fe³⁺ ions in the cubic In₂O₃ structure have been evidenced. In general, the substitution level is considerably lower than the nominal concentration x. A justification of the processes leading to the formation of iron and indium phases in the investigated supercritical hydrothermal system has been given.     

Solvent-dependent host–guest complexation of two homologous merocyanines by a water-soluble calix[8]arene: Spectroscopic analysis and structural calculations

The sulfonated calixarene I₈C₁₂ acts as a host for homologous merocyanines Mc1 and Mc2 in organic solvents, exhibiting neither selectivity towards the guest dyes nor solvent dependence of the complexation equilibria. In water, on the contrary, only the lower homologue, Mc1, is solubilized in the presence of the calixarene. A combination of UV–visible and fluorescence spectroscopic and photophysical analysis and MD structural simulation of the calixarene-dye complexes was employed to account for the observations, and suggests that a radical change in the complexation mode occurs upon moving from an organic to an aqueous environment.     

Characterization of graded-index planar waveguides and analysis of modal coupling for the design of integrated optical components produced by ion-exchange in glass and induced by Kerr effect

An experimental analysis of graded-index (GRIN) planar waveguides produced by ion exchange in soda-lime glass is presented. This study is based on a recent model describing nonlinear diffusion. Likewise the modal coupling between planar waveguides, produced in the same substrate, is analyzed in order to design efficient integrated optical components. Finally, waveguiding structures induced by Kerr effect in glass are proposed and analyzed.