chloroform/dental caries

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Inclusion complexes of cryptophane-E with dichloromethane and chloroform: A thermodynamic and kinetic study using the 1D-EXSY NMR method.

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Complexation equilibria and kinetics of exchange of chloroform and dichloromethane molecules between the cavity of cryptophane-E and bulk solution were investigated using NMR methods. Using one-dimensional magnetization transfer (1D-EXSY type sequence), chemical exchange rates were measured in

Binding of the general anesthetics chloroform and 2,2,2-trichloroethanol to the hydrophobic core of a four-alpha-helix bundle proteins.

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The structural features of general anesthetic binding sites on proteins are being examined using a defined model system consisting of a four-alpha-helix bundle scaffold with a hydrophobic core. Previous work suggested that halothane binding to the four-alpha-helix bundle was improved by (1)

The (1)H NMR chemical shift for the hydroxy proton of 4-(dimethylamino)-2'-hydroxychalcone in chloroform: a theoretical approach to its inverse dependence on the temperature.

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[reaction: see text] The inverse dependence of the chemical shift on the temperature experimentally found for the phenolic proton of 4-(dimethylamino)-2'-hydroxychalcone (DMAHC) is theoretically studied. As the temperature decreases, the solvent dielectric constant epsilon increases and the

A 1:1:1 chloroform/tetrahydrofuran solvate of p-tert-butyltetrahomodioxacalix[4]arene.

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The title compound, 7,13,21,27-tetra-tert-butyl-3,17-dioxapentacyclo[23.3.1.1(5,9).1(11,15).1(9,23)]ditriaconta-1(29),5,7,9(30),11(31),12,14,19(32),20,22,25,27-dodecaene-29,30,31,32-tetraol, crystallizes as a solvate with one molecule of chloroform and one molecule of tetrahydrofuran,

Molecular dynamics study of a heteroditopic-calix[4]diquinone-assisted transfer of KCl and dopamine through a water-chloroform liquid-liquid interface.

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The ability of two heteroditopic calix[4]diquinone receptors to transport a KCl ion-pair and a dopamine zwitterion through a water-chloroform interface was investigated via molecular dynamics (MD) simulations. Gas-phase conformational analysis has been carried on KCl and dopamine receptor binding

In vitro caries lesion rehardening and enamel fluoride uptake from fluoride varnishes as a function of application mode.

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OBJECTIVE To study the laboratory predicted anticaries efficacy of five commercially available fluoride varnishes (FV) by determining their ability to reharden and to deliver fluoride to an early caries lesion when applied directly or in close vicinity to the lesion (halo effect). METHODS Early

A robust method for assessing chemically induced mutagenic effects in the oral cavity of transgenic Big Blue® rats.

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The Big Blue® (BB) in vivo mutation assay uses transgenic rodents to measure treatment-induced mutations in virtually any tissue. The BB assay can be conducted in rats or mice and is ideal for investigating tissue-specific mutagenic mode of action of tumor induction. Some tissues such as oral mucosa

Negative axicon tip-based fiber optic interferometer cavity sensor for volatile gas sensing.

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In this research work we demonstrated negative axicon optical fiber tip filled with Polydimethylsiloxane (PDMS) as a sensor platform for volatile organic gases detection at room temperature. The response of the sensor was measured with various Volatile Organic Compounds (VOCs) such as Chloroform,

Polarizing a hydrophobic cavity for the efficient binding of organic guests: the case of calix[6]tren, a highly efficient and versatile receptor for neutral or cationic species.

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The host-guest properties of calix[6]tren 1 have been evaluated. The receptor is based on a calix[6]arene that is covalently capped at the narrow rim by a tren unit. As a result, the system presents a concave hydrophobic cavity with, at its bottom, a grid-like nitrogenous core. Despite its

Weighted-density functionals for cavity formation and dispersion energies in continuum solvation models.

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Continuum solvation models enable efficient first principles calculations of chemical reactions in solution, but require extensive parametrization and fitting for each solvent and class of solute systems. Here, we examine the assumptions of continuum solvation models in detail and replace empirical

[A case of suicidal chloroform poisoning].

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A 33-year-old man who had suffered from phobia and depressions was found dead in his kitchen. He was entirely covered by plastic waste disposal bags stuck together. The corpse was lying flat on his stomach with his face on a towel soaked with chloroform. Within the plastic cover, on either side of

Chloroform: exposure estimation, hazard characterization, and exposure-response analysis.

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Chloroform has been assessed as a Priority Substance under the Canadian Environmental Protection Act. The general population in Canada is exposed to chloroform principally through inhalation of indoor air, particularly during showering, and through ingestion of tap water. Data on concentrations of

Efficient encapsulation of chloroform with cryptophane-M and the formation of exciplex studied by fluorescence spectroscopy.

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Efficient encapsulation of small molecules with supermolecules is one of significantly important subjects due to strong application potentials. This article presents the interaction between cryptophane-M and chloroform by fluorescence spectroscopy. The sonicated cryptophane-M solution exhibits light

Anion Binding Inside a Bambus[6]uril Macrocycle in Chloroform.

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Invited for this month's cover is the group of Prof. Vladimir Sindelar from Masaryk University, Czech Republic. The cover picture shows the bambusuril macrocycle which binds various inorganic anions in the center of its cavity with high affinity and selectivity in chloroform. Read the full text of

25-Allyloxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihydroxycalix[4]arene chloroform disolvate.

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In the title solvated calixarene, C(47)H(60)O(4) x 2 CHCl(3), the host chalice displays an almost undistorted cone conformation, stabilized by three strong O-H...O hydrogen bonds at the calixarene's lower rim. One chloroform solvent molecule is fixed in the calixarene cavity by C-H...pi

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