decane/dental caries

The asymmetric unit of the title compound, C(22)H(42)N(6)·2CH(4)O, comprises one half of a 14-membered tetra-azacyclo-tetra-decane macrocycle with cyano-ethyl substituents on one of the N atoms and a methanol solvent mol-ecule. The macrocycle lies about an inversion centre. The cyano-ethyl

A wide range of hydroperoxides (C1-C3 alkyl hydroperoxides, C3-C7 alkenyl hydroperoxides, C7 ketohydroperoxides, and hydrogen peroxide (H2O2)), as well as ketene and diones, have been quantified during the gas-phase oxidation of n-heptane. Some of these species, as well as C10 alkenyl hydroperoxides

The macrotricyclic title compound, C(36)H(64)N(4)O(14)·2C(6)H(6), is located on a crystallographic center of symmetry. The mol-ecule has four tertiary amide bridgehead atoms and consists of two unsymmetrical 20-membered diaza-tetra-oxamacrocycles (N(2)O(4) donor atom set) connected through the N

The reaction cavity of the nitro group in the crystal of the title compound, [CoCl(NO₂)(C₁₀H₂₄N₄)]Cl, (I), was investigated to confirm that it offers sufficient free space for linkage isomerization to occur in accordance with the observed photochemical

In the title hydrated salt, C(16)H(38)N(4) (2+)·2ClO(4) (-)·H(2)O, the dication is protonated at the diagonally opposite N atoms proximate to the -C(CH(3))(2)- groups. Within the cavity, there are two ammonium-amine N-H⋯N hydrogen bonds. Supra-molecular layers are formed in the crystal packing

The asymmetric unit of the title compound, [Rb2(P2S6)(C12H24O6)2]·2CH3CN, contains one half of an [Rb(18-crown-6)2]2[P2S6] unit and one aceto-nitrile solvent mol-ecule. The [Rb(18-crown-6)]2[P2S6] unit is completed by inversion symmetry. Its Rb(+) ion is situated near the centre of the macrocyclic

Block copolymers with a high asymmetry normally give spherical starlike micelles in a solvent selective for the longer block. We have discovered that samples of poly(ferrocenyldimethylsilane-b-dimethylsiloxane) (PFS-b-PDMS) with block ratios of 1:12 form nanotubes in n-hexane and n-decane, which are

Pairwise interactions between n-alkanes from decane to octadecane in water have been studied by single-molecule force spectroscopy. The interacting molecules are covalently tethered to the glass substrate and to the probe of an atomic force microscope by water-soluble linkers to facilitate

Brown carbon (BrC), which may include secondary organic aerosol (SOA), can be a significant climate-forcing agent via its optical absorption properties. However, the overall contribution of SOA to BrC remains poorly understood. Here, correlations between oxidation level and optical properties of SOA

The reversible encapsulation of a series of normal alkane guests in a cylindrical host was studied by NMR methods. For small hydrocarbons such as n-pentane or n-hexane, two guests enter the host, and they move freely within. With n-heptane no encapsulation takes place. For longer alkanes such as

Quantum chemical calculations and molecular dynamics simulations are carried out to study the host-guest inclusion complexes of cyclodextrins (alpha-, beta-, and gamma-CDs) with small guest molecules such as H(2)O, NH(3), NH(4)(+), C(6)H(6), and bisimidazolyl compounds. The uptake ability of the CDs

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),

The structure of the title compound, 5,6-[(1R,10S)-2,9-dioxatri-cyclo-[8.6.0(3,8).0(11,16)]hexa-decane-1,10-di-yl]-(C60-Ih)[5,6]fullerene methane-dithione 0.1-solvate, C74H10O2·0.1CS2, has tetra-gonal (P42/n) symmetry at 100 K. It has a unique eight-membered ring, with two incorporated O atoms in

The title compound, [FeCl2(C14H30N4)]PF6, contains Fe(3+) coordinated by the four nitro-gen atoms of an ethyl-ene cross-bridged cyclam macrocycle and two cis chloride ligands in a distorted octa-hedral environment. In contrast to other similar compounds this is a monomer. Inter-molecular C-H⋯Cl

Installation of m-benzoic acid functionalities on pillar[5]arene rims resulted in bis- and mono(m-benzoic acid)-functionalized pillar[5]arenes 1 and 2. Bis(m-benzoic acid)-functionalized pillar[5]arene 1 was able to self-assemble to form one-dimensional channels with DMF molecules residing in