dodecane/dental caries

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On the origins of the hydrophobic effect: observations from simulations of n-dodecane in model solvents.

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The importance of the small size of a water molecule as contributing to the hydrophobic effect is examined from simulations of n-dodecane in different solvents. The earlier observations of the origin of hydrophobicity, derived from cavity formations by Pratt and Pohorille (1992, Proc. Natl. Acad.

Theory of hydrophobicity: transient cavities in molecular liquids.

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Observation of the size distribution of transient cavities in computer simulations of water, n-hexane, and n-dodecane under benchtop conditions shows that the sizes of cavities are more sharply defined in liquid water but the most-probable-size cavities are about the same size in each of these

Chirality from achiral components: N,N'-bis(4-dimethylaminobenzyl)dodecane-1,12-diammonium in cucurbit[8]uril.

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The long alkyl chain of N,N'-bis(4-dimethylaminobenzyl)dodecane-1,12-diamine (C(12)DA) adopts different chiral helical conformations, one left-handed and the other right-handed, when bound within the cavities of two distorted cucurbit[8]uril (Q[8]) units, as unequivocally established by X-ray

Cavities in molecular liquids and the theory of hydrophobic solubilities.

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Thermal configurational data on neat liquids are used to obtain the work of formation of hard spherical cavities of atomic size in six molecular solvents: n-hexane, n-dodecane, n-undecyl alcohol, chloroform, carbon tetrachloride, and water. These results are used to test a recent suggestion that the

Exhaled breath and oral cavity VOCs as potential biomarkers in oral cancer patients.

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Corporal mechanisms attributed to cancer, such as oxidative stress or the action of cytochrome P450 enzymes, seem to be responsible for the generation of a variety of volatile organic compounds (VOCs) that could be used as non-invasive diagnosis biomarkers. The present work presents an attempt to

NTP Toxicology and Carcinogenesis Studies of Propylene (CAS No. 115-07-1) in F344/N Rats and B6C3F1 Mice (Inhalation Studies).

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Propylene is used as a starting material in the production of polypropylene plastics and various other chemicals, including acrylonitrile, isopropyl alcohol, propylene oxide, butyraldehyde, cumene, dodecane, nonene, and allyl chloride. The major derivatives are polypropylene (25%), acrylonitrile

Measurement of Soret and Fickian diffusion coefficients by orthogonal phase-shifting interferometry and its application to protein aqueous solutions.

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We have developed a method to measure thermodiffusion and Fickian diffusion in transparent binary solutions. The measuring instrument consists of two orthogonally aligned phase-shifting interferometers coupled with a single rotating polarizer. This high-resolution interferometer, initially developed

Selective Adsorption of n-Alkanes from n-Octane on Metal-Organic Frameworks: Length Selectivity.

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The liquid-phase adsorption of n-alkanes (from n-octane (C8) solvent) with different chain lengths was carried out over three metal-organic frameworks (MOFs), viz., metal-azolate framework-6 (MAF-6), copper-benzenetricarboxylate (Cu-BTC), and iron-benzenetricarboxylate (MIL-100(Fe)), and a

Measurement of the Soret coefficients for a ternary hydrocarbon mixture in low gravity environment.

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While the Soret coefficients of binary mixtures have been widely measured in the past, here we report the first measurement of the Soret coefficient of a ternary mixture in a low gravity environment on board the International Space Station. The sample was contained in a 10 mm × 10 mm × 5 mm (w, l,

Environmental swap energy and role of configurational entropy in transfer of small molecules from water into alkanes.

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We studied the effect of segmented solvent molecules on the free energy of transfer of small molecules from water into alkanes (hexane, heptane, octane, decane, dodecane, tetradecane, and hexadecane). For these alkanes we measured partition coefficients of benzene, 3-methylindole (3MI),

Free energy profiles for penetration of methane and water molecules into spherical sodium dodecyl sulfate micelles obtained using the thermodynamic integration method combined with molecular dynamics calculations.

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The free energy profiles, ΔG(r), for penetration of methane and water molecules into sodium dodecyl sulfate (SDS) micelles have been calculated as a function of distance r from the SDS micelle to the methane and water molecules, using the thermodynamic integration method combined with molecular

Syntheses, conformations, and basicities of bicyclic triamines.

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The multistep syntheses of several bicyclic triamines are described, all of which have an imbedded 1,5,9-triazacyclododecane ring. In 1,5,9-triazabicyclo[7.3.3]pentadecanes 12, 13, 15, and 16, two nitrogens are bridged by three carbons. The monoprotonated forms of these triamines are highly

Gadolinium uptake in the rat inner ear perilymph evaluated with 4.7 T MRI: a comparison between transtympanic injection and gelatin sponge-based diffusion through the round window membrane.

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OBJECTIVE To investigate the inner ear uptake of the contrast agent gadolinium administered intratympanically through transtympanic injection or using a gelatin sponge placed on the round window. METHODS The T1 contrast agent Gadolinium-tetra-azacyclo-dodecane-tetra-acetic acid (Gd-DOTA) was

NMR studies of materials loaded into porous-wall hollow glass microspheres

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Porous-wall hollow glass microspheres (PWHGMs) are a form of glass materials that consist of 1-μm-thick porous silica shells, 20-100 μm in diameter, with a hollow cavity in the center. Utilizing the central cavity for material storage and the porous walls for controlled release is a unique

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