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p xylene/dental caries
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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
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
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
Removal of Aromatic Hydrocarbon Compounds by Hydroxypropyl-cyclodextrin.
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Activated carbon has been used for the recovery and removal of benzene, toluene, and xylenes in air and water for a long time. However, removal of benzene, toluene, and xylenes from soil is very difficult. They can be removed by an increase in the apparent solubility of organic compounds in soil.
Host-guest interactions in a series of self-assembled As2L2Cl2 macrocycles.
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The reaction of AsCl3 with H2L (where L = a rigid dithiolate) results in the self-assembly of As2L2Cl2 supramolecular macrocycles. For ligands 4,4'-bis(mercaptomethyl)biphenyl (H2), 4,4'-bis(mercaptomethyl)-trans-stilbene (H2), and 1,4-dimethoxy-2,5-bis(mercaptomethyl)benzene (H2), the macrocyclic
Role of entropy and autosolvation in dimerization and complexation of C60 by Zn7 metallocavitands.
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The supramolecular chemistry of bowl-shaped heptazinc metallocavitands templated by Schiff base macrocycles has been investigated. Dimerization thermodynamics were probed by (1)H NMR spectroscopy in benzene-d(6), toluene-d(8), and p-xylene-d(10) and revealed the process to be entropy-driven and
Highly organized spherical hosts that bind organic guests in aqueous solution with micromolar affinity: microcalorimetry studies
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Two novel closed-shell hemicarcerand-like hosts with spherical cavities of 11 A diameter that are soluble in aqueous solution were constructed. The binding of xylenes, aryl ethers, polyaromatic compounds, ferrocene derivatives, and bicyclic aliphatic compounds were examined by NMR spectroscopy and
Polymorphs and pseudopolymorphs of N,N'-dithiobisphthalimide.
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N,N'-Dithiobisphthalimide, C(16)H(8)N(2)O(4)S(2) (I), forms a wide range of polymorphs and solvates (pseudopolymorphs). When (I) is crystallized from methanol it yields a solvent-free polymorph (4), in Pna2(1) with Z' = 1, in which the molecules are linked into chains by a single C-H.O hydrogen
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
Guest-induced assembly of tetracarboxyl-cavitand and tetra(3-pyridyl)-cavitand into a heterodimeric capsule via hydrogen bonds and CH-halogen and/or CH-pi interaction: control of the orientation of the encapsulated guest.
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The guest- or solvent-induced assembly of a tetracarboxyl-cavitand 1 and a tetra(3-pyridyl)-cavitand 2 into a heterodimeric capsule 1.2 in a rim-to-rim fashion via four intermolecular CO(2)H.N hydrogen bonds has been investigated both in solution and in the solid state. In the (1)H NMR study, a 1:1
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,
Guest inclusion and interpenetration tuning of Cd(II)/Mn(II) coordination grid networks assembled from a rigid linear diimidazole Schiff base ligand.
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Cd(II)/Mn(II) coordination grid networks containing large meshes have been assembled from a long rigid ligand, 2,5-bis(4'-(imidazol-1-yl)benzyl)-3,4-diaza-2,4-hexadiene (ImBNN), and M(CF(3)SO(3))(2) (M = Cd and Mn) salts, and their interpenetration change upon guest inclusion has been investigated
Modeling the complexation of substituted benzenes by a cyclophane host in water.
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Monte Carlo statistical mechanics simulations have been used to study the complexation of disubstituted benzenes by Diederich's octamethoxy tetraoxaparacyclophane host. Relative free energies of binding were obtained in water at 25 degrees C for benzene, p-xylene, p-cresol, p-dicyanobenzene, and
Reversible encapsulation of disc-shaped guests by a synthetic, self-assembled host.
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Here, the synthesis of a bowl-shaped molecule is described and evidence of its reversible dimerization by means of hydrogen bonds is presented. The dimer features a flattened spherical cavity of peculiar symmetry and acts as a host for the encapsulation of guest molecules of complementary shape.
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