نتایج جستجو برای: hammett constant
تعداد نتایج: 218513 فیلتر نتایج به سال:
in this thesis, structural, electronical, and optical properties of inverse pervskite(ca3pbo) in cubic phase have been investigated.the calculation have been done based on density functional theory and according to generalized gradiant approximate (gga) as correlating potential. in order to calculate the configurations, implementing in the wien2k code have been used from 2013 version. first of ...
A self-promoted glycosylation method for the stereoselective formation of β-glucosides from a substrate library glycosyl trichloroacetimidate donors and acceptors is presented. The simple two-component reaction takes place at elevated temperatures, without addition any additives or catalysts. After basic workup, N-glycosides were obtained in good yields with high β-selectivity hence this allows...
The native flavin, FMN, has been removed from the l-lactate oxidase of Aerococcus viridans, and the apoprotein reconstituted with 12 FMN derivatives with various substituents at the flavin 6- and 8-positions. Impressive linear relationships are exhibited between the sum of the Hammett final sigma(para) and final sigma(ortho) parameters and the redox potentials of the free flavins, and between t...
4-Amino-4'-substituted biphenyls and 4-aminostilbenes substituted in the 3' or 4' position were studied for their in vitro and in vivo genotoxicity. The in vitro mutagenicity of the biphenyls with and without S9 activation was established with Salmonella strains TA98 and TA100 and that of the stilbenes with the same strains plus TA98/1,8-DNP6. The in vivo genotoxicity assay with both series of ...
We have carried out a theoretical study of a series of para-substituted phenoxy radicals in an effort to understand the factors influencing spin and charge density distribution in open-shell systems. The calculations reveal that the distribution of spin and charge are not correlated: cases were found for which spin and charge move together, whereas for other substituents the two quantities exhi...
Diphenylamines, Inhibitors, Photosynthetic Electron Transport A number of 16 substituted diphenylamines have been tested for their inhibitory activity on photosynthetic NADP reduction and photophosphorylation. The most active compounds exhibited p l50 values of 6.0 in photosynthetic electron transport and 6.8 in cyclic photophosphorylation, respectively. The inhibition site in electron flow of ...
In this report, 1-butyl-3-methylimidazolium chloride ([C4C1im]Cl) is demonstrated to enhance the kinetics of acid-catalysed hydrolysis of 1,4-β-glucans in binary solvent mixtures. [C4C1im]Cl plays other roles in the reaction beyond acting as a solvent for cellulose, as currently accepted. In fact, the presence of the IL increases the Hammett acidity of the catalyst dissolved in the reaction med...
A computational docking approach, in combination with the Hammett relationship, has been employed to evaluate the electronic influence of substituents on ligand binding and the active site-directed inhibitory potency on acetylcholinesterase using nine N-aryl-substituted succinimides. Our results indicate that electronwithdrawing groups attached to benzene moiety of the compounds favor the inhib...
A series of C4 substituted alpha-ketooxazoles were examined as inhibitors of the serine hydrolase fatty acid amide hydrolase in efforts that further define and generalize a fundamental substituent effect on enzyme inhibitory potency. Thus, a plot of the Hammett sigma(m) versus -logK(i) provided a linear correlation (R(2)=0.90) with a slope of 3.37 (rho=3.37), that is of a magnitude that indicat...
Measurements are reported on the kinetics of the lysozyme-catalysed hydrolysis of several beta-aryl di-N-acetylchitobiosides, some of which have been synthesized for the first time. The catalytic rate constants (k(cat.)) at 45 degrees yield a curved Hammett plot (concave up) and the plot of DeltaH(double dagger) versus DeltaS(double dagger) has a sharp break. Substrates with electron-withdrawin...
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