نتایج جستجو برای: tautomer
تعداد نتایج: 566 فیلتر نتایج به سال:
The influence of anions on tautomerism in benzimidazole containing anion receptors has been studied via a variety of techniques in both solution and the solid state. The results show that hydrogen bonding interactions between the receptors and guests have a significant effect of the nature of the tautomer present. The compounds show a preference for complexation of lactate over pyruvate.
Bracken, Pocker & Raistrick (1954) described the isolation of two nitrogen-containing products from different cultures of Penicillium cyclopium Westling. One of these, previously isolated from Penicillium viridicatum Westling by Cunningham & Freeman (1953) and named viridicatin, C15H11NO2, was shown to be 2,3-dihydroxy-4phenylquinoline or its keto-tautomer (I), by degradative methods and unequi...
The reaction of a manganese(V)-oxo porphyrinoid complex with the Lewis acid B(C6F5)3 leads to reversible stabilization of the valence tautomer Mn(IV)(O)(π-radical cation). The latter complex, in combination with B(C6F5)3, reacts with ArO-H substrates via formal hydrogen-atom transfer and exhibits dramatically increased reaction rates over the Mn(V)(O) starting material.
Ir(I)-induced tautomerization of a pyridine moiety to a carbene in 2,3-bipyridyls has been successfully achieved where an amide group plays a key role as a hydrogen-bonding acceptor and the carbene tautomer is stabilized by both chelation effect and by hydrogen-bonding.
The stability and aromaticity of thirteen known thymine tautomers were studied in the gas phase at the B3LYP/6-311++G(2d,2p) computational level. It was found that they do not follow the Hückel 4N + 2 rule when the energetic criterion is considered, but they follow it when aromaticity indices, such as NICS, HOMA and the sum of the Wiberg bond indices, are applied. It was shown that the stabilit...
The isolated-site low-temperature crystal matrix (dilute solutions in heptane and in octane) ( Shpol ' skii matrix) is shown to be operative for the spectroscopic study of 3- hydroxyflavone luminescence. The observed luminescence is demonstrated to be unique proton-transfer fluorescence from the excited tautomer. A separate study at higher concentrations of aggregated molecule luminescence and ...
Theoretical Investigation of Tautomerism Stability of Hydantoin in the Gas Phase and in the Solution
The relative stability of the different tautomers of hydantoin has been studied through the use of DFT method. The structures and the vibrational frequencies of all stable tautomers and all the transitions states connecting between them have been calculated at the B3LYP/6-311+G(d,p) level of theory in the gas phase and selected solvents using IE-PCM model. Final energies have been obtained in s...
To explore the effect of intermolecular interactions on the photophysics of 2-aminopurine (2AP) in a well-defined environment, we have investigated the fluorescence properties of single 2AP crystals, having determined their X-ray structure. In the crystal, 2AP is subject to base-stacking and hydrogen-bonding interactions similar to those found in DNA. The crystal shows dual fluorescence: pi-sta...
Antiviral drugs designed to accelerate viral mutation rates can drive a viral population to extinction in a process called lethal mutagenesis. One such molecule is 5,6-dihydro-5-aza-2'-deoxycytidine (KP1212), a selective mutagen that induces A-to-G and G-to-A mutations in the genome of replicating HIV. The mutagenic property of KP1212 was hypothesized to originate from its amino-imino tautomeri...
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