dichlorobenzene/dental caries

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Square-grid coordination networks of (5,10,15,20-tetra-4-pyridylporphyrinato)zinc(II) in its clathrate with two guest molecules of 1,2-dichlorobenzene: supramolecular isomerism of the porphyrin self-assembly.

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The title compound, (5,10,15,20-tetra-4-pyridylporphyrinato)zinc(II) 1,2-dichlorobenzene disolvate, [Zn(C(40)H(24)N(8))].2C(6)H(4)Cl(2), contains a clathrate-type structure. It is composed of two-dimensional square-grid coordination networks of the self-assembled porphyrin moiety, which are stacked

Gas chromatographic separation of isotopic molecules using a cavitand-impregnated ionic liquid stationary phase.

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Cavitands, which are a class of compounds with deep open-ended cavities, are known to exhibit remarkable molecular recognition ability through host-guest interactions because of their unique structures. It is known that isotopic molecules can be differentiated in the small spaces provided by

Potassium ion controlled switching of intra- to intermolecular electron transfer in crown ether appended free-base porphyrin-fullerene donor-acceptor systems.

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Photoinduced electron transfer in intramolecularly interacting free-base porphyrin bearing one or four 18-crown-6 ether units at different positions of the porphyrin macrocycle periphery and pristine fullerene was investigated in polar benzonitrile and nonpolar o-dichlorobenzene and toluene

Strategy for polychlorinated biphenyl detection based on specific inhibition of charge transport using a nanogapped gold particle film.

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A new strategy to detection of polychlorinated biphenyls (PCBs) using an electrical nanogap device is presented. This strategy is based on specific inhibition of charge transport when PCBs are captured by the cavities of β-cyclodextrin (β-CD) that are modified onto gold nanogapped electrodes'

Suppression of exciton dephasing in sidewall-functionalized carbon nanotubes embedded into metallo-dielectric antennas.

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Covalent functionalization of single-walled carbon nanotubes (SWCNTs) is a promising route to enhance the quantum yield of exciton emission and can lead to single-photon emission at room temperature. However, the spectral linewidth of the defect-related E11* emission remains rather broad. Here, we

Photodegradation of halobenzenes in water ice.

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Results from the photolysis of o, p-dichlorobenzene, bromobenzene, and p-dibromobenzene in water ice are reported. All phototransformations appeared to be based on dehalogenation, coupling, and rearrangement reactions in ice cavities. No photosolvolysis products, i.e. products from intermolecular

Exploring 3D structural influences of aliphatic and aromatic chemicals on α-cyclodextrin binding.

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Binding of solutes to macromolecules is often influenced by steric effects caused by the 3D structures of both binding partners. In this study, the 1:1 α-cyclodextrin (αCD) binding constants (Ka1) for 70 organic chemicals were determined to explore the solute-structural effects on the αCD binding.

Molecular modeling study of beta- and gamma-cyclodextrin complexes with miconazole.

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Different authors have demonstrated the inclusion of miconazole in cyclodextrins (CD). Miconazole can be included in the CD cavity both in the neutral and in the ionized form. The present study tries to understand which fragment of the miconazole molecule is involved in the inclusion. Austin Model 1

Size- and orientation-selective encapsulation of C(70) by cycloparaphenylenes.

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The size- and orientation-selective formation of the shortest-possible C70 peapod in solution and in the solid state by using the shortest structural unit of an "armchair" carbon nanotube (CNT), cycloparaphenylene (CPP), has been studied. [10]CPP and [11]CPP exothermically formed 1:1 complexes with

Measurement of NMR cross-polarization (CP) rate constants in the slow CP regime: relevance to structure determinations of zeolite-sorbate and other complexes by cp magic-angle spinning NMR.

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When analyzing I --> S variable contact time cross-polarization (CP) curves, the spin dynamics are usually assumed to be describable in the "fast CP regime" in which the growth of the S spin magnetization is governed by the rate of cross polarization while its decay is governed by the rate of I spin

A supramolecular oscillator composed of carbon nanocluster C(120) and a rhodium(III) porphyrin cyclic dimer.

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A rhodium(III) porphyrin cyclic dimer (1) included carbon nanocluster C120 (2) to form a pi-electronic supramolecular complex (1 superset2), in which 2 oscillated back and forth within its cavity. Spectroscopic titration of 1 with 2 and line shape analysis on variable-temperature 1H NMR spectral

Exciplex fluorescence as a diagnostic probe of structure in coordination polymers of Zn2+ and 4,4'-bipyridine containing intercalated pyrene and enclathrated aromatic solvent guests.

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Coordination polymers based on Zn(II)-4,4'-bipyridine (Zn-bipy) frameworks containing pyrene intercalated between adjacent layers and aromatic solvent molecules enclathrated within the framework cavities have been prepared and characterized for the first time. These compounds are highly fluorescent,

Rapid parallel synthesis of polymer-bound enones utilizing microwave-assisted solid-phase chemistry.

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A microwave-assisted parallel solid-phase synthesis of a collection of 21 polymer-bound enones has been developed. The two-step protocol involves initial high-speed acetoacetylation of polystyrene Wang resin with a selection of seven common beta-ketoesters. When microwave flash heating at 170

Assessment of the relative hazard involved with airborne irritants with additional hepatotoxic or nephrotoxic properties in mice.

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This paper deals with the conversion of the hepatotoxicity of 1,2-dichlorobenzene (DCB), the nephrotoxicity of hexachloro-1,3-butadiene (HCBD) and the respiratory effects of these two toxicants into quantal data. It aims to provide some useful information on the best strategy used for safety

Theoretical and experimental investigations on miconazole/cyclodextrin/acid complexes: molecular modeling studies.

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The inclusion of miconazole into cyclodextrin cavity has been demonstrated by different authors. Preliminary studies have shown which fragment of the molecule is involved in the inclusion. In the present study, AM1 approximate molecular orbital calculations have been performed on several

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