Search results for "RELATION"
showing 10 items of 10542 documents
Structure of bottle-brush brushes under good solvent conditions: a molecular dynamics study.
2011
We report a simulation study for bottle-brush polymers grafted on a rigid backbone. Using a standard coarse-grained bead-spring model extensive molecular dynamics simulations for such macromolecules under good solvent conditions are performed. We consider a broad range of parameters and present numerical results for the monomer density profile, density of the untethered ends of the grafted flexible backbones and the correlation function describing the range that neighboring grafted bottle-brushes are affected by the presence of the others due to the excluded volume interactions. The end beads of the flexible backbones of the grafted bottle-brushes do not access the region close to the rigid…
Fluorescence Correlation Spectroscopy in Dilute Polymer Solutions: Effects of Molar Mass Dispersity and the Type of Fluorescent Labeling
2015
Fluorescence correlation spectroscopy (FCS) has become an important tool in polymer science. Among various other applications the method is often applied to measure the hydrodynamic radius and the degree of fluorescent labeling of polymers in dilute solutions. Here we show that such measurements can be strongly affected by the molar mass dispersity of the studied polymers and the way of labeling. As model systems we used polystyrene and poly(methyl methacrylate) synthesized by atom transfer radical polymerization or free-radical polymerization. Thus, the polymers were either end-labeled bearing one fluorophore per chain or side-labeled with a number of fluorophores per chain proportional to…
Novel Terphenyls and 3,5-Diaryl Isoxazole Derivatives Endowed with Growth Supporting and Antiapoptotic Properties
2008
A new study on terphenyl and diaryl-isoxazole and -isoxazoline derivatives, maintaining a common 3-adamantyl-4-hydroxyphenyl moiety, has been conducted to find compounds with growth supporting and antiapoptotic properties. Unexpectedly, diphenyisoxazole derivatives bearing a nitro group replacing the carboxylic function have been found with the highest cell protective activity within the series, in complete and in serum-free conditions. Inhibition of apoptosis induced by daunorubicin has also been observed for the most active compound.
Comment on “Local impermeant anions establish the neuronal chloride concentration”
2014
Glykys et al . (Reports, 7 February 2014, p. 670) proposed that cytoplasmic impermeant anions and polyanionic extracellular matrix glycoproteins establish the local neuronal intracellular chloride concentration, [Cl – ] i , and thereby the polarity of γ-aminobutyric acid type A (GABA A ) receptor signaling. The experimental procedures and results in this study are insufficient to support these conclusions. Contradictory results previously published by these authors and other laboratories are not referred to.
Reduction of benzo(a)pyrene mutagenicity by dihydrodiol dehydrogenase
1979
THE enigma of how inert chemicals can exert potent mutagenic, carcinogenic, allergenic and cytotoxic effects has been much debated. It has been learned that such compounds are metabolically converted to chemically reactive species1. In the case of aromatic or olefinic compounds, monooxygenases located in the membranes of the cell can transform these compounds into epoxides2–5 which by virtue of electrophilic reactivity can bind chemically to cellular macromolecules such as DNA, RNA and proteins, thereby disturbing biochemical control mechanisms and leading to the above mentioned toxic effects. The same membranes in which such epoxides are produced possess an enzyme, epoxide hydratase, which…
Scaling theory of star polymers and general polymer networks in bulk and semi-infinite good solvents
1988
Theorie d'echelle utilisant l'equivalence entre la fonction generatrice du nombre total de configuration et la fonction de correlation a plusieurs spins du modele de Heisenberg classique a n composantes dans la limite n→0
Conformational properties of oxazoline-amino acids
2016
Abstract Oxazoline-amino acids (Xaa-Ozn) occur in natural peptides of potentially important bioactivity. The conformations of the model compounds: Ac-(S)-Ala-Ozn(4R-Me), Ac-(S)-Ala-Ozn(4S–Me), and (gauche+, gauche−, anti) Ac-(S)-Val-Ozn(4R-Me) were studied at meta-hybrid M06-2X/6–311++G(d,p) method including solvent effect. Boc- l -Ala- l -Ozn-4-COOMe and Boc- l -Val- l -Ozn-4-COOMe were synthesized and studied by FT-IR and NMR-NOE methods. The conformations in crystal state were gathered from the Cambridge Structural Data Base. The main conformational feature of the oxazoline amino acids is the conformation β2 (ϕ,ψ ∼ −161°, −6°), which predominates in weakly polar environment and still is …
Characterization of Micelles of Polyisobutylene-block-poly(methacrylic acid) in Aqueous Medium
2000
Four amphiphilic block copolymers polyisobutylene-block-poly(methacrylic acid) (IBm-MAAn; m = 70−134, n = 52−228) were synthesized and transferred into aqueous medium at pH 10−12. Their structure in solution was characterized by fluorescence correlation spectroscopy (FCS), static and dynamic light scattering (SLS, DLS), analytical ultracentrifuge (AUC), and by transmission electron microscopy (TEM) with freeze-fracturing and staining techniques. DLS data, AUC sedimentation traces, and TEM images indicate at least two different kinds of particles. TEM shows spherical micelles; however, especially for polymers with larger hydrophobic blocks, additional particles are observed. FCS shows extrem…
UV-B-Induced acute toxicity of pyrene to the waterflea Daphnia magna in natural freshwaters.
1999
Abstract The effects of various water characteristics in natural freshwaters on the acute toxicity of one polycyclic aromatic hydrocarbon (PAH), pyrene, to a pelagic invertebrate Daphnia magna was studied under ultraviolet B (UV-B) radiation and in the dark. Pyrene was photoactivated and was more toxic to D. magna in the presence of UV-B radiation. Dissolved organic material (DOM), measured as dissolved organic carbon (DOC), significantly reduced the photoenhanced toxicity of pyrene. Under UV-B radiation the EC50 values were lower and in relation to the amount of DOM, ranging from 3.0 to 30.0 μg/L pyrene, whereas in the dark they were between 29.2 and 54.8 μg/L and not related to the amount…
Biopartitioning micellar chromatography: An alternative high-throughput method for assessing the ecotoxicity of anilines and phenols
2007
An investigation of the use of the chromatographic retention (log k) as an in vitro approach for modelling the toxicity to Fathead Minnows of anilines and phenols is developed. A data set of 65 compounds with available experimental toxicity data was used. Log k data at three pH values were used for the compounds classification and two groups or 'MODEs' were identified. For one 'MODE' a quantitative retention-activity relationship (QRAR) model was calculated. Finally, it was used to estimate the toxicity to Fathead minnows of anilines and phenols for which experimental data are not available. These estimations were compared to those obtained from another toxicity (to Tetrahymena pyriformis) …