Search results for "BENZENE"
showing 10 items of 1701 documents
1D coordination polymer based on copper(II)-containing tetrameric 1,2,3-triazole ligand from click chemistry: Magnetic and catalytic properties
2019
Abstract A novel tetrameric tetra[O-((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)]-pentaerythritol (TBTP) has been synthesized using click chemistry strategy. TBTP was characterized and used as ligand to form new Cu(II) complexes, forming 1-D coordination polymers. Two square planar complexes were characterized by single-crystal X-ray diffraction, presenting formula [Cu(TBTP)][Cu(NO3)4] (1) and [Cu(TBTP)](NO3)2 (2). In both structures, a cationic 1-D coordination polymer (CP) has been formed. The CP contain a 1:1 Cu(II)/TBTP ratio with four neutral triazole groups coordinating the Cu(II) center, forming a Cu N bonds ranging 1.988(2)–2.001(2) A. The study of the magnetic properties of compounds 1…
A CNDO/2 study on the additivity and the nature of the non-additivity of the substituent effects on13C NMR shifts in chlorobenzenes and chlorophenols
1980
The general correlation between the electron densities and the 13C NMR chemical shifts is found to be quite poor in the cases discussed. The non-additivities of the substituent effects on the chemical shifts and the CNDO/2 electron densities correlate only weakly. However, when the electron densities are made specific to different types of atomic orbitals, the s electrons have a pronounced effect in all the models tested. This is explained by an indirect effect on the 〈1/r3〉 term of the p electrons. Good correlations are found between the sums of the chemical shifts and the corresponding sums of the substituent charge excesses. The different behaviour of OH and Cl substituents in the additi…
Azoxybenzene rearrangement catalyzed by solid acids
2008
Abstract For the first time, the potential of acidic cation-exchange resin (sulfonated polystyrene) to catalyze the Wallach rearrangement of azoxybenzene into 4-hydroxyazobenzene has been proved. This finding reveals an alternative reaction path possible in a heterogeneous process using solid acids and may help to clear some doubts concerning the rearrangement mechanism postulated so far. The resin-induced reaction was found to proceed exclusively in a non-polar medium. Reasonable yield was obtained particularly in isooctane due to favorable distribution of azoxybenzene throughout the resin's matrix. On the contrary, the HY type zeolite did not activate the rearrangement, most probably beca…
Combined Use of Structure Analysis, Studies of Molecular Association in Solution, and Molecular Modelling to Understand the Different Propensities of…
2021
The arrangement of hydroxyl groups in the benzene ring has a significant effect on the propensity of dihydroxybenzoic acids (diOHBAs) to form different solid phases when crystallized from solution. All six diOHBAs were categorized into distinctive groups according to the solid phases obtained when crystallized from selected solvents. A combined study using crystal structure and molecule electrostatic potential surface analysis, as well as an exploration of molecular association in solution using spectroscopic methods and molecular dynamics simulations were used to determine the possible mechanism of how the location of the phenolic hydroxyl groups affect the diversity of solid phases formed…
SYNTHESIS OF SELENIUM-CONTAINING CROWN ETHERS AND RELATED COMPOUNDS
1991
Abstract The synthesis of the first examples of selenium-containing crown ethers from the benzene diselenolate anion and dichalcogenated ethers is reported. The reaction is highly dependent on the experimental conditions, particularly the concentration. 1H NMR and mass spectrometry were used to confirm the structures of the new compounds.
Molecular mechanisms of sorafenib action in liver cancer cells.
2012
Sorafenib, a multikinase inhibitor, recently received FDA approval for the treatment of advanced hepatocellular carcinoma (HCC). However, as the clinical application of sorafenib evolves, there is increasing interest in defining the mechanisms underlying its anti-tumor activity. Considering that this specific inhibitor could target unexpected molecules depending on the biologic context, a precise understanding of its mechanism of action could be critical to maximize its treatment efficacy, while minimizing adverse effects. Two human HCC cell lines (HepG2 and Huh7), carrying different biological and genetic characteristics, were used in this study to examine the intracellular events leading …
Specificity of H-2-linked Ir gene control in mice: recognition of the core structure A--L in defined sequence analogues of (T,G,)-A--L.
1979
For further characterization of the processes involved in Ir gene control, the specificity of antibodies and the cross-reaction on the level of helper T cells was studied for a series of polypeptide antigens related to poly-L(Tyr,Glu)-poly-DL-Ala–poly-LLys[(T,G)-A–L] but carrying more defined side chains. Helper cell specificity was assayed in an in vitro secondary anti-dinitrophenyl (DNP) response by cross-stimulation of primed T cells with the various polypeptide carriers. It was established that these polypeptides, although showing the same response pattern, were recognized as distinct entities in the immune response by B and T cells. If this common pattern is due to the effect of the sa…
Total synthesis and evaluation of [18F]MHMZ.
2007
Radiochemical labeling of MDL 105725 using the secondary labeling precursor 2-[(18)F]fluoroethyltosylate ([(18)F]FETos) was carried out in yields of approximately 90% synthesizing [(18)F]MHMZ in a specific activity of approximately 50MBq/nmol with a starting activity of approximately 3GBq. Overall radiochemical yield including [(18)F]FETos synthon synthesis, [(18)F]fluoroalkylation and preparing the injectable [(18)F]MHMZ solution was 42% within a synthesis time of approximately 100 min. The novel compound showed excellent specific binding to the 5-HT(2A) receptor (K(i)=9.0 nM) in vitro and promising in vivo characteristics.
Acute toxicity of toluene, hexane, xylene, and benzene to the rotifers Brachionus calyciflorus and Brachionus plicatilis.
1992
A large number of studies on the biological effects of oil pollution in the aquatic environment deal with the effects of whole crude or refined oils or their water-soluble fractions. However, low boiling, aromatic hydrocarbons, which are probably the most toxic constituents of oil, have until now not been examined in sufficient detail. Toluene, benzene and xylene, constitute a major component of various oils. They may be readily lost by weathering but are toxic in waters that are relatively stagnant and are chronically polluted. Korn et al. have stated that toluene is more toxic than many other hydrocarbons such as benzene, though the latter are more water-soluble. Report of the effects of …
Alkoxy-Substituted Hexastyrylbenzenes
2003
Star-shaped compounds 2a–e with a central benzene ring and six p-substituted, (E)-configured styryl groups have been prepared by a sequence of three-fold Heck and three-fold Wittig–Horner reactions. Alkoxy chains (OC3H7, OC6H13, OC10H21, OC12H25) on all six arms guarantee a good solubility of 2a–d, whereas the alternating hexyloxy and cyano substitution in 2e leads to an almost insoluble push-pull system. Irradiation into the long-wavelength absorption of 2a–d (with λmax values of 341–342 nm) results in a statistical photocross-linking, which is characterized by the complete degradation of all stilbene chromophores.