Search results for "cyclic"

Theoretical nuclear spin-spin coupling constants using atom-atom polarizabilities.13CH and HH′ coupling constants of some [2.2.1] bicyclic compound…

1977

13C NMR study of some polychloro-isobutane and -isobutene compounds

1984

The 13C chemical shifts and the carbon–proton coupling constants have been determined for some chlorinated isobutane and isobutene compounds. The one-bond coupling constants in isobutane derivatives showed a regular increase with an increasing number of γ-chlorine substituents. The three-bond coupling constant of the methyl carbon decreased from 4.2 to 2.0 Hz as the number of chlorine substituents in the γ-position increased. In the isobutene compounds, the vicinal coupling of C-1 was larger to protons in a group that is trans with respect to a chlorine substituent on C-1 than to those in the corresponding group cis to the chlorine. The vicinal coupling constants between atoms in geminal gr…

Multiplicity of fixed points and growth of ε-neighborhoods of orbits

2012

We study the relationship between the multiplicity of a fixed point of a function g, and the dependence on epsilon of the length of epsilon-neighborhood of any orbit of g, tending to the fixed point. The relationship between these two notions was discovered before (Elezovic, Zubrinic, Zupanovic) in the differentiable case, and related to the box dimension of the orbit. Here, we generalize these results to non-differentiable cases introducing a new notion of critical Minkowski order. We study the space of functions having a development in a Chebyshev scale and use multiplicity with respect to this space of functions. With the new definition, we recover the relationship between multiplicity o…

Effects of SCA40 on human isolated bronchus and human polymorphonuclear leukocytes: comparison with rolipram, SKF94120 and levcromakalim

1996

1. SCA40 (0.1 nM-0.1 mM) produced concentration-dependent suppression of the spontaneous tone of human isolated bronchus (-log EC50 = 6.85 +/- 0.09; n = 10) and reached a maximal relaxation similar to that of theophylline (3 mM). The potency (-log EC50 values) of SCA40 compared to other relaxants was rolipram (7.44 +/- 0.12; n = 9) > SCA40 > or = levcromakalim (6.49 +/- 0.04; n = 6) > SKF94120 (5.87 +/- 0.10; n = 9). 2. When tested against the activity of the isoenzymes of cyclic nucleotide phosphodiesterase (PDE) isolated from human bronchus, SCA40 proved highly potent against PDE III (-log IC50 = 6.47 +/- 0.16; n = 4). It was markedly less potent against PDE IV (4.82 +/- 0.18; n = 4) and …

4,4,4′,4′,7,7′-Hexamethyl-2,2′-spirobichroman

2000

The title compound, C23H28O2, was obtained from the reaction of acetone with meta-cresol. The molecular structure consists of two identical subunits which are nearly perpendicular to each other. The oxygen-containing rings are not planar and the molecule is chiral. The crystal structure consists of chains of molecules of the same chirality arranged along the [010] axis.

Ein makrobicyclischer Tris-bipyridin-Ligand sowie ein Cu2I- und ein Ag3I-Komplex

1991

Effect of cyclic loading on fracture strength and microleakage of a quartz fiber dowel with different adhesive, cement and resin core material combin…

2010

Background: This study evaluated the performance of different adhesive-cement-core combinations coupled with quartz fiber dowels after cyclic loading and fracture strength tests and assessed the microleakage using dye penetration method. Methods: Forty maxillary canines (n=10 per group) were restored with fiber dowels (Quartz fiber DT Light Post) and four adhesive-cement-core material combinations [(Group 1: All-Bond 2+C&B (root) / All-Bond 2+Biscore (core); Group 2: All-Bond 2+Bisfil 2B (root) / All-Bond 2+Bisfil 2B (core); Group 3: Scotchbond 1+RelyX ARC (root) / Scotchbond 1+Supreme (core); Group 4: RelyX Unicem (root) / Scotchbond 1+Filtek Supreme (core)]. The specimens were initially c…

The Biosynthesis of Rare Homo-Amino Acid Containing Variants of Microcystin by a Benthic Cyanobacterium

2019

Microcystins are a family of chemically diverse hepatotoxins produced by distantly related cyanobacteria and are potent inhibitors of eukaryotic protein phosphatases 1 and 2A. Here we provide evidence for the biosynthesis of rare variants of microcystin that contain a selection of homo-amino acids by the benthic cyanobacterium Phormidium sp. LP904c. This strain produces at least 16 microcystin chemical variants many of which contain homophenylalanine or homotyrosine. We retrieved the complete 54.2 kb microcystin (mcy) gene cluster from a draft genome assembly. Analysis of the substrate specificity of McyB1 and McyC adenylation domain binding pockets revealed divergent substrate specificity …

POSS-Al-porphyrin-imidazolium cross-linked network as catalytic bifunctional platform for the conversion of CO2 with epoxides

2023

Two heterogeneous catalysts were prepared with the aim of following the promising path of CO2 fixation into epoxides. The synthetic procedure involves a radical copolymerization of an octavinylsilsesquioxane as inorganic core building block and tetrastyrylporphyrin aluminum chloride monomer (TSP-AlCl) in presence (POSS-TSP-AlCl-imiBr) or in absence (POSS-TSP-AlCl) of a bis-vinylimidazolium bromide salt (bis-imiBr), in order to investigate if the bifunctional heterogeneous material can display better catalytic performance than the separate species. All the solids were fully characterized and tested in the synthesis of cyclic carbonates starting from CO2 and several epoxides. The synergic coo…

Comparison of virtual high-throughput screening methods for the identification of phosphodiesterase-5 inhibitors.

2011

Reliable and effective virtual high-throughput screening (vHTS) methods are desperately needed to minimize the expenses involved in drug discovery projects. Here, we present an improvement to the negative image-based (NIB) screening: the shape, the electrostatics, and the solvation state of the target protein’s ligand-binding site are included into the vHTS. Additionally, the initial vHTS results are postprocessed with molecular mechanics/generalized Born surface area (MMGBSA) calculations to estimate the favorability of ligand-protein interactions. The results show that docking produces very good early enrichment for phosphodiesterase-5 (PDE-5); however, in general, the NIB and the ligand-…