Deterministic chaos in the Belousov-Zhabotinsky reaction: Experiments and simulations

An account of the experimental discovery of complex dynamical behavior in the continuous-flow, stirred tank reactor (CSTR) Belousov-Zhabotinsky (BZ) reaction, as well as numerical simulations based on the BZ chemistry are given. The most recent four- and three-variable models that are deduced from the well-accepted, updated chemical mechanism of the BZ reaction and which exhibit robust chaotic states are summarized. Chaos has been observed in experiments and simulations embedded in the regions of complexities at both low and high flow rates. The deterministic nature of the observed aperiodicities at low flow rates is unequivocally established. However, controversy still remains in the interpretation of certain aperiodicities observed at high flow rates.     

Organic Diselenides and Ditellurides: Disproportionations,Synthesis of Stannyl Selenides,Reactions with Acetylenes

The disproportionation reaction of organic diselenides 1 and ditellurides 2, the synthesis of stannyl selenides 4, and the addition reaction (palladium-catalyzed, thermal) of dialkyl diselenides to acetylenes are discussed.     

Derivation of component aerosol direct radiative forcing at the top of atmosphere for clear-sky oceans

A two-step approach is proposed to derive component aerosol direct radiative forcing (ADRF) at the top of atmosphere (TOA) over global oceans from 60°S to 60°N for clear-sky condition by combining Terra CERES/MODIS-SSF shortwave (SW) flux and aerosol optical thickness (AOT) observations with the fractions of component AOTs from the GSFC/GOCART model. The derived global annual mean component ADRF is +0.08±0.17 W/m² for black carbon, −0.52±0.24 W/m² for organic carbon, −1.10±0.42 W/m² for sulfate, −0.99±0.37 W/m² for dust, −2.44±0.84 W/m² for sea salt, and −4.98±1.67 W/m² for total aerosols. The total ADRF has also been partitioned into anthropogenic and natural components with a value of −1.25±0.43 and −3.73±1.27 W/m², respectively. The major sources of error in the estimates have also been discussed. The analysis adds an alternative technique to narrow the large difference between current model-based and observation-based global estimates of component ADRF by combining the satellite measurement with the model simulation.     

New Conjugated π-Systems Incorporating Phosphole Rings

The synthesis and photophysical properties of mixed thiophene-phosphole oligomers and polymers are described.     

Asymptotic distribution of the eigenvalues of the bending-torsion vibration model with fully nondissipative boundary feedback

Asymptotic and spectral results on the initial boundary-value problem for the coupled bending-torsion vibration model (which is important in such areas of engineering sciences as bridge and tall building designs, aerospace and oil pipes modeling, etc.) are presented. The model is given by a system of two hyperbolic partial differential equations equipped with a three-parameter family of non-self-adjoint (linear feedback type) boundary conditions modeling the actions of self-straining actuators. The system is rewritten in the form of the first-order evolution equation in a Hilbert space of a four-component Cauchy data. It is shown that the dynamics generator is a matrix differential operator with compact resolvent, whose discrete spectrum splits asymptotically into two disjoint subsets called the α-branch and the β-branch, respectively. Precise spectral asymptotics for the eigenvalues from each branch as the number of an eigenvalue tends to ∞ have been derived. It is also shown that the leading asymptotical term of the α-branch eigenvalue depends only on the torsion control parameter, while of the β-branch eigenvalue depends on two bending control parameters.     

Methodological challenges of optical tweezers‐based X‐ray fluorescence imaging of biological model organisms at synchrotron facilities

Recently, a radically new synchrotron radiation‐based elemental imaging approach for the analysis of biological model organisms and single cells in their natural in vivo state was introduced. The methodology combines optical tweezers (OT) technology for non‐contact laser‐based sample manipulation with synchrotron radiation confocal X‐ray fluorescence (XRF) microimaging for the first time at ESRF‐ID13. The optical manipulation possibilities and limitations of biological model organisms, the OT setup developments for XRF imaging and the confocal XRF‐related challenges are reported. In general, the applicability of the OT‐based setup is extended with the aim of introducing the OT XRF methodology in all research fields where highly sensitive in vivo multi‐elemental analysis is of relevance at the (sub)micrometre spatial resolution level.     

Cyclodextrin knowledgebase a web-based service managing CD-ligand complexation data

Cyclodextrins are cyclic oligosaccharides that are able to form water-soluble inclusion complexes with small molecules. Because of their complexing ability, they are widely applied in food, pharmaceutical and chemical industries. In this paper we describe the development of a free web-service, Cyclodextrin KnowledgeBase: (http://www.cyclodextrin.net). The database contains four modules: the Publication, Interaction, Chirality and Analysis Modules. In the Publication Module, almost 50,000 publication details are collected that can be retrieved by text search. In the Interaction and Chirality Modules relevant literature data on cyclodextrin complexation and chiral recognition are collected that can be retrieved by both text and structural searches. Moreover, in the Analysis Module, the geometries of small molecule-cyclodextrin complexes can be predicted using molecular docking tools in order to explore the structures and interaction energies of the inclusion complexes. Complex geometry prediction is made possible by the built-in database of 95 cyclodextrin derivatives, where the 3D structures as well as the partial charges are calculated and stored for further utilization. The use of the database is demonstrated by several examples.