xylene/dental caries

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Cavity residue leucine 95 and channel residues glutamine 204, aspartic acid 211, and phenylalanine 269 of toluene o-xylene monooxygenase influence catalysis.

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Structural analysis of toluene-o-xylene monooxygenase (ToMO) hydroxylase revealed the presence of three hydrophobic cavities, a channel, and a pore leading from the protein surface to the active site. Here, saturation mutagenesis was used to investigate the catalytic roles of alpha-subunit (TouA)

Three p-xylene-solvated pseudopolymorphs of bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II).

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The Cu(2+) ions in the title compounds, namely bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato-κ(2)O,O']copper(II) p-xylene n-solvate, [Cu(C15HF10O2)2]·nC8H10, with n = 1, (I), n = 2, (II), and n = 4, (III), are coordinated by two 1,3-bis(pentafluorophenyl)propane-1,3-dionate ligands. The

Convergent synthesis of alternating fluorene-p-xylene oligomers and delineation of the (silver) cation-induced folding.

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Convergent synthetic routes for the preparation of hitherto unknown fluorene-p-xylene oligomers (containing up to 10 fluorene moieties) from readily available starting materials are described. The conformationally adaptable monomeric receptor (which is made of a pair of fluorene and one p-xylene

A high-yield synthesis of [m]biphenyl-extended pillar[n]arenes for an efficient selective inclusion of toluene and m-xylene in the solid state.

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[m]Bp-ExPn with a rigid and nanometer-sized cavity, as an extended version of pillar[n]arene by replacing 1,4-dimethoxybenzene monomers with biphenyl entities, was synthesized for the first time. Intriguingly, toluene and m-xylene can be stably included within the cavity of [2]Bp-ExP6, which endows

Real-time monitoring of benzene, toluene, and p-xylene in a photoreaction chamber with a tunable mid-infrared laser and ultraviolet differential optical absorption spectroscopy.

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We describe the implementation of a mid-infrared laser-based trace gas sensor with a photoreaction chamber, used for reproducing chemical transformations of benzene, toluene, and p-xylene (BTX) gases that may occur in the atmosphere. The system performance was assessed in the presence of

Chemical composition of surgical smoke formed in the abdominal cavity during laparoscopic cholecystectomy--assessment of the risk to the patient.

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OBJECTIVE The aim of this study was to assess the exposure of patients to organic substances produced and identified in surgical smoke formed in the abdominal cavity during laparoscopic cholecystectomy. METHODS Identification of these substances in surgical smoke was performed by the use of gas

Effect of encaged aromatic guests on the shape and connectivity of molecular cavity in crystalline polystyrene evaluated by molecular simulations.

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The delta form of crystalline syndiotactic polystyrene is a clathrate molecular compound in which various aromatic molecules are encaged. We have investigated the size, shape, and connectivity of the molecular cavity in the crystal using a molecular dynamics simulation. The effects of the guest

The Effect of Sodium Dodecyl Sulfate and M-alpha-Cyclodextrin on the Solubility and Partitioning of Xylenes in Aqueous Solutions

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The solubility and the partitioning of p- and o-xylene in aqueous solutions containing M-alpha-CD, a partially methylated alpha-cyclodextrin, and the anionic surfactant sodium dodecyl sulfate (SDS) were studied by extraction experiments to evaluate the applicability of liquid membrane permeation for

Crystal structure of the toluene/o-xylene monooxygenase hydroxylase from Pseudomonas stutzeri OX1. Insight into the substrate specificity, substrate channeling, and active site tuning of multicomponent monooxygenases.

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The four-component toluene/o-xylene monooxygenase (ToMO) from Pseudomonas stutzeri OX1 is capable of oxidizing arenes, alkenes, and haloalkanes at a carboxylate-bridged diiron center similar to that of soluble methane monooxygenase (sMMO). The remarkable variety of substrates accommodated by ToMO

Flexibility of Metal-Organic Framework Tunable by Crystal Size at the Micrometer to Submillimeter Scale for Efficient Xylene Isomer Separation.

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Understanding, controlling, and utilizing the flexibility of adsorbents are of great importance and difficulty. Analogous with conventional solid materials, downsizing to the nanoscale is emerging as a possible strategy for controlling the flexibility of porous coordination polymers (or

Fabry-Pérot cavity sensor-based optofluidic gas chromatography using a microfabricated passive preconcentrator/injector.

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This study reports on dual on-column Fabry-Pérot (FP) cavity sensor-based gas chromatography (GC) of mixtures of volatile organic compounds (VOCs) utilizing an on-chip device, the so called "microfabricated passive preconcentrator/injector (μPPI)". Comprehensive analysis of the sampling,

A homochiral porous organic cage with large cavity and pore windows for the efficient gas chromatography separation of enantiomers and positional isomers.

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Porous organic cages composed of discrete cage molecules have attracted considerable recent attention as gas adsorption materials and separation media. In this study, we report a homochiral porous organic cage CC5 with a large cavity and pore windows as a novel stationary phase for high-resolution

Reaction Ensemble Monte Carlo Simulation of Xylene Isomerization in Bulk Phases and under Confinement.

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The original reaction move for the reaction ensemble Monte Carlo (RxMC) method is adapted to align both the position and orientation of inserted product molecules and deleted reactant molecules. The accuracy and efficiency of this move is demonstrated for xylene isomerization in vapor, liquid, and

Supramolecular Catalysis of m-Xylene Isomerization by Cucurbiturils: Transition State Stabilization, Vibrational Coupling, and Dynamic Binding Equilibrium

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The ability of cucurbit[6]uril (CB6) and cucurbit[7]uril (CB7) to catalyze the thermally activated 1,2-methyl shift isomerization pathway of m-xylene in vacuum is investigated using infrequent metadynamics. CB6 is predicted to effectively and selectively catalyze the

Cavities generated by self-organised monolayers as sensitive coatings for surface acoustic wave resonators.

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Silanisation of quartz substrate surfaces with a mixture of two chlorosilanes, namely trimethylchlorosilane and 7-octenyldimethylchlorosilane, leads to sensitive coatings for volatile organic compounds (VOC) on surface acoustic wave (SAW) devices. In this way we created monolayers of molecular

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