349 research outputs found
Antioxidative Activity of Ferrocenes Bearing 2,6-Di-Tert-Butylphenol Moieties
The antioxidative activity of ferrocenes bearing either 2,6-di-tert-butylphenol or phenyl groups has been compared using DPPH (1,1-diphenyl-2-picrylhydrazyl) test and in the study of the in vitro impact on lipid peroxidation in rat brain homogenate and on some characteristics of rat liver mitochondria. The results of DPPH test at 20°C show that the activity depends strongly upon the presence of phenolic group but is improved by the influence of ferrocenyl fragment. The activity of N-(3,5-di-tert-butyl-4-hydroxyphenyl)iminomethylferrocene (1), for instance, was 88.4%, which was higher than the activity of a known antioxidant 2,6-di-tert-butyl-4-methylphenol (BHT) (48.5%), whereas the activity of N-phenyl-iminomethylferrocene 2 was almost negligible −2.9%. The data obtained demonstrate that the compounds with 2,6-di-tert-butylphenol moiety are significantly more active than the corresponding phenyl analogues in the in vitro study of lipid peroxidation in rat brain homogenate. Ferrocene 1 performs a promising behavior as an antioxidant and inhibits the calcium-dependent swelling of mitochondria. These results allow us to propose the potential cytoprotective (neuroprotective) effect of ditopic compounds containing antioxidant 2,6-di-tert-butylphenol group and redox active ferrocene fragment
Metastable phases and "metastable" phase diagrams
The work discusses specifics of phase transitions for metastable states of
substances. The objects of condensed media physics are primarily equilibrium
states of substances with metastable phases viewed as an exception, while the
overwhelming majority of organic substances investigated in chemistry are
metastable. It turns out that at normal pressure many of simple molecular
compounds based on light elements (these include: most hydrocarbons; nitrogen
oxides, hydrates, and carbides; carbon oxide (CO); alcohols, glycerin etc) are
metastable substances too, i.e. they do not match the Gibbs' free energy
minimum for a given chemical composition. At moderate temperatures and
pressures, the phase transitions for given metastable phases throughout the
entire experimentally accessible time range are reversible with the equilibrium
thermodynamics laws obeyed. At sufficiently high pressures (1-10 GPa), most of
molecular phases irreversibly transform to more energy efficient polymerized
phases, both stable and metastable. These transformations are not consistent
with the equality of the Gibbs' free energies between the phases before and
after the transition, i.e. they are not phase transitions in "classical"
meaning. The resulting polymeric phases at normal pressure can exist at
temperatures above the melting one for the initial metastable molecular phase.
Striking examples of such polymers are polyethylene and a polymerized
modification of CO. Many of energy-intermediate polymeric phases can apparently
be synthesized by the "classical" chemistry techniques at normal pressure.Comment: 5 pages, 4 figure
1-(8-Bromo-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocin-11-yl)ethanone
In the title compound, C14H14BrNO2S, there are two similar non-equivalent molecules in the asymmetric unit, displaying three chiral centres each. In the crystal structure, they are linked by intermolecular N—H⋯O hydrogen bonds to form infinite chains, which are in turn connected by weak Br⋯H and S⋯H interactions
Control of Azomethine Cycloaddition Stereochemistry by CF<inf>3</inf> Group: Structural Diversity of Fluorinated β-Proline Dimers
© 2016 American Chemical Society.β-Proline-functionalized dimers consisting of homochiral monomeric units were synthesized by a non-peptidic coupling method for the first time. The applied synthetic methodology is based on 1,3-dipolar cycloaddition chemistry of azomethine ylides and provides absolute control over the β-proline backbone stereogenic centers. An o-(trifluoromethyl)phenyl substituent contributes to appropriate stabilization of the definite acrylamide chiral cis conformation and to achieve the dipole reactivity that is not observed for aryl groups lacking strong electronegative character
Neutral-ionic phase transition : a thorough ab-initio study of TTF-CA
The prototype compound for the neutral-ionic phase transition, namely TTF-CA,
is theoretically investigated by first-principles density functional theory
calculations. The study is based on three neutron diffraction structures
collected at 40, 90 and 300 K (Le Cointe et al., Phys. Rev. B 51, 3374 (1995)).
By means of a topological analysis of the total charge densities, we provide a
very precise picture of intra and inter-chain interactions. Moreover, our
calculations reveal that the thermal lattice contraction reduces the indirect
band gap of this organic semi-conductor in the neutral phase, and nearly closes
it in the vicinity of the transition temperature. A possible mechanism of the
neutral-ionic phase transition is discussed. The charge transfer from TTF to CA
is also derived by using three different technics.Comment: 11 pages, 9 figures, 7 table
Probing Molecular Shape. 1. Conformational Studies of 5-Hydroxyhexahydropyrimidine and Related Compounds
Reactions of Sulfenic and Sulfoxylic Acid Derivatives with Olefins in the Presence of Sulfur Trioxide and its Complexes
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